PMCCPMCCPMCC

Search tips
Search criteria 

Advanced

 
Logo of actaeInternational Union of Crystallographysearchopen accessarticle submissionjournal home pagethis article
 
Acta Crystallogr Sect E Struct Rep Online. 2008 January 1; 64(Pt 1): o239.
Published online 2007 December 12. doi:  10.1107/S1600536807064987
PMCID: PMC2915298

1-Hydr­oxy-1,1,3,3,3-penta­phenyl­disiloxane, [Si2O(OH)(Ph)5], at 150 K

Abstract

In the crystal structure of the title compound, C30H26O2Si2, one Si(Ph)3 residue is bound to another Si(OH)(Ph)2 residue via a nonlinear Si—O—Si bridge. The asymmetric unit is composed of four [Si2O(OH)(Ph)5] molecules. Each pair of adjacent molecules inter­acts via strong and highly directional O—H(...)O hydrogen bonds connecting neighbouring Si—OH units, and via inter-unit O—H(...)π contacts connecting the second hydroxyl groups with adjacent phenyl groups.

Related literature

For related structures of disiloxane compounds see: Glidewell & Liles (1978 [triangle]); Hönle et al. (1990 [triangle]); Morosin & Harrah (1981 [triangle]); Suwińska et al. (1986 [triangle]); Wojnowski et al. (2004 [triangle]). For a crystallographic determination of the title compound at 100 (2) K, see the preceding paper: Coelho et al. (2008 [triangle]).

An external file that holds a picture, illustration, etc.
Object name is e-64-0o239-scheme1.jpg

Experimental

Crystal data

  • C30H26O2Si2
  • M r = 474.69
  • Triclinic, An external file that holds a picture, illustration, etc.
Object name is e-64-0o239-efi1.jpg
  • a = 15.0113 (12) Å
  • b = 19.9930 (15) Å
  • c = 20.1661 (16) Å
  • α = 65.270 (3)°
  • β = 71.217 (4)°
  • γ = 87.173 (4)°
  • V = 5178.7 (7) Å3
  • Z = 8
  • Mo Kα radiation
  • μ = 0.16 mm−1
  • T = 150 (2) K
  • 0.30 × 0.22 × 0.12 mm

Data collection

  • Bruker Kappa APEXII diffractometer
  • Absorption correction: multi-scan (SADABS; Sheldrick, 1998 [triangle]) T min = 0.923, T max = 0.981
  • 96391 measured reflections
  • 17802 independent reflections
  • 8243 reflections with I > 2σ(I)
  • R int = 0.120

Refinement

  • R[F 2 > 2σ(F 2)] = 0.079
  • wR(F 2) = 0.250
  • S = 1.02
  • 17802 reflections
  • 1229 parameters
  • H-atom parameters constrained
  • Δρmax = 0.56 e Å−3
  • Δρmin = −0.45 e Å−3

Data collection: APEX2 (Bruker, 2006 [triangle]); cell refinement: APEX2; data reduction: SAINT-Plus (Bruker, 2005 [triangle]); program(s) used to solve structure: SHELXTL (Bruker, 2001 [triangle]); program(s) used to refine structure: SHELXTL; molecular graphics: DIAMOND (Brandenburg, 2006 [triangle]); software used to prepare material for publication: SHELXTL.

Table 1
Hydrogen-bond geometry (Å, °)

Supplementary Material

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536807064987/tk2229sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536807064987/tk2229Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

Acknowledgments

We are grateful to Fundação para a Ciência e a Tecnologia (FCT, Portugal) for general financial support and also for specific funding towards the purchase of the single-crystal diffractometer.

supplementary crystallographic information

Comment

In a separate crystallographic communication we reported the crystal structure of the title compound, (I), at 100 K in the triclinic P1 space group with two [Si2O(OH)(Ph)5] molecular units comprising the asymmetric unit (see Coelho et al., 2008). At 150 K, a decrease in overall long range symmetry, accompanied by an increase in size of the unit cell (by a factor of ca 2) and, consequently, in the number of crystallographically independent binuclear [Si2O(OH)(Ph)5] molecular units (from two at 100 K to four at 150 K, see Fig. 1. It is important to stress that the reduction of overall symmetry seems to be essentially due to an increase of thermal motion of the coordinated phenyl groups. Indeed, even though the increase in temperature was only of about 50 K, since the intermolecular interactions between adjacent [Si2O(OH)(Ph)5] complexes are of rather weak nature (van der Waals interactions alongside with a number of C—H···π contacts between phenyl groups belonging to adjacent complexes), equivalence between adjacent binuclear units is ultimately destroyed by a combined effect of rotation of the phenyl groups around the Si—C bond with in-plane thermal vibration of the carbon atoms (Figure 1). In fact, the average value of Ueq for the carbon atoms composing the phenyl groups increases from 0.047 Å2 (at 100 K) to 0.052 Å2 (at 150 K).

The intramolecular geometrical features defining the binuclear [Si2O(OH)(Ph)5] units in (I) remain relatively unchanged when compared with those at 100 K (Coelho et al. (2008), Table 1. For the two Si centres within each unit, {SiC3O} and {SiC2O2}, the Si—C and Si—O bond lengths were found in the 1.842 (5)–1.875 (5) and 1.605 (3)–1.648 (3) Å ranges, respectively, in good agreement with those found in related materials and in our determination at 100 K. Each pair of Si centres is interconnected via a µ2-bridging oxo group, imposing Si···Si internuclear distances ranging from 3.113 (2) Å to 3.216 (2) Å. These distances are shorter than those registered for disiloxanes in which the two Si centres exhibit identical coordination environments (found in the 3.24–3.44 Å range; see Glidewell & Liles, 1978; Hönle et al., 1990; Suwińska et al., 1986). In fact, the presence of distinct coordinating moieties, and the type of intermolecular interactions in which they are involved with neighbouring species, leads to a deformation of the binuclear units through the µ2-bridge, ultimately imposing shorter Si···Si interatomic distances. The Si—O—Si bond angles for (I) were found in the 145.1 (2)–169.5 (2)° range (Fig. 1 & Table 1) and, as described for the determination of (I) at 100 K, are distributed over two markedly distinct ranges. On the one hand, the high range values are in good agreement with the angle reported by Wojnowski et al. (2004) for [Si2O(H)(Ph)5] (ca 163.3°). On the other, the shorter Si—O—Si angles arise due to O—H···π interactions between the O2 and O4 hydroxyl groups and the neighbouring C57→C72 and C97→C101 phenyl groups, respectively (Fig. 1 and Table 2). In fact, besides the strong and highly directional O—H···O hydrogen bond connecting each pair of adjacent [Si2O(OH)(Ph)5] molecular units, these weak O—H···π contacts are the second strongest intermolecular interactions in (I). It is clear from Fig. 1 that the thermal motion of the phenyl groups involved in these interactions is significantly more limited than those of the remaining phenyl groups.

As for the structure at 100 K, at 150 K supramolecular entities formed by the combined effected of the O—H···O hydrogen bonds and O—H···π contacts arrange themselves in an ordely fashion in the ac plane of the unit cell forming layers, which close pack along the [010] direction of the unit cell to give the crystal structure of (I), Fig. 2. We also note the presence of a number of C—H···π contacts between phenyl groups (not shown) which help to mediate the crystal packing of individual [Si2O(H)(Ph)5] molecular units.

Experimental

Crystals of the title compound were isolated from the same batch as those used for the determination at 100 K of the title compound (see Coelho et al., 2008).

Refinement

A small number of single-crystals of (I) could be indexed at 100 K with the unit-cell parameters summarized in the Experimental Table given in the previous paper (Coelho et al., 2008). Those results led us to infer that the increase of thermal motion, in particular that associated with the coordinated phenyl groups, could, to some extent, reduce overall symmetry. Preliminary measurements for several different crystals at 150 K confirmed the increase of the size of the triclinic unit cell by approximately a factor of 2.

Due to the already well known poor crystal quality of (I) (Coelho et al., 2008), a full data set was collected at 150 K by employing a long exposure time per acquired frame (120 s). Once again, spot shape was seriously compromised by the low quality of the crystals leading to a relatively high value for Rint. The structure was solved using direct-methods which allowed the immediate location of almost all non-H atoms comprising the four crystallographically independent [Si2O(OH)(Ph)5] molecular units. All remaining non-H atoms were located from difference Fourier maps calculated from successive least-squares refinement cycles. Non-H atoms were refined using anisotropic displacement parameters. H atoms bound to C and the terminal Si—OH groups were located at their idealized positions and allowed to ride on their parent atoms with C—H = 0.95Å and O—H = 0.84 Å, and with Uiso = 1.2 or 1.5×Ueq of the parent atoms (C and O, respectively).

Figures

Fig. 1.
Schematic representation of the four crystallographically independent [Si2O(OH)(Ph)5] molecular units composing the asymmetric unit of the title compound showing the labelling scheme for all non-H atoms. Displacement ellipsoids are drawn at the 50% probability ...
Fig. 2.
Crystal packing of the title compound viewed in perspective along the (a) [010] and (b) [101] directions of the unit cell. O—H···O hydrogen bonding interactions and O—H···π contacts ...

Crystal data

C30H26O2Si2Z = 8
Mr = 474.69F(000) = 2000
Triclinic, P1Dx = 1.218 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 15.0113 (12) ÅCell parameters from 8707 reflections
b = 19.9930 (15) Åθ = 2.4–22.4°
c = 20.1661 (16) ŵ = 0.16 mm1
α = 65.270 (3)°T = 150 K
β = 71.217 (4)°Prism, colourless
γ = 87.173 (4)°0.30 × 0.22 × 0.12 mm
V = 5178.7 (7) Å3

Data collection

Bruker X8 Kappa CCD APEXII diffractometer17802 independent reflections
Radiation source: fine-focus sealed tube8243 reflections with I > 2σ(I)
graphiteRint = 0.120
ω/[var phi] scansθmax = 25.4°, θmin = 3.5°
Absorption correction: multi-scan (SADABS; Sheldrick, 1998)h = −18→18
Tmin = 0.923, Tmax = 0.981k = −23→23
96391 measured reflectionsl = −24→22

Refinement

Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.079Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.250H-atom parameters constrained
S = 1.02w = 1/[σ2(Fo2) + (0.1212P)2 + 1.2286P] where P = (Fo2 + 2Fc2)/3
17802 reflections(Δ/σ)max = 0.003
1229 parametersΔρmax = 0.56 e Å3
0 restraintsΔρmin = −0.45 e Å3

Special details

Experimental. See dedicated section in the main paper
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2)

xyzUiso*/Ueq
Si10.39433 (9)0.28703 (8)0.47224 (8)0.0318 (4)
Si20.17139 (9)0.30287 (8)0.52914 (8)0.0326 (4)
O20.4251 (2)0.2349 (2)0.54784 (19)0.0413 (10)
H20.46910.21050.53490.062*
O10.2822 (2)0.28788 (19)0.50744 (19)0.0419 (10)
C190.4559 (3)0.3818 (3)0.4276 (3)0.0329 (13)
C200.5076 (4)0.4029 (3)0.4637 (3)0.0420 (14)
H200.51030.36840.51250.050*
C210.5547 (4)0.4732 (4)0.4296 (4)0.0517 (16)
H210.58890.48620.45550.062*
C220.5527 (4)0.5237 (4)0.3596 (4)0.0551 (18)
H220.58630.57130.33640.066*
C230.5022 (5)0.5059 (4)0.3225 (4)0.0595 (19)
H230.49950.54150.27410.071*
C240.4547 (4)0.4353 (3)0.3559 (3)0.0506 (16)
H240.42070.42340.32930.061*
C250.4188 (3)0.2455 (3)0.4021 (3)0.0391 (14)
C260.4959 (4)0.2714 (3)0.3332 (3)0.0529 (16)
H260.53790.31200.32120.063*
C270.5125 (5)0.2385 (4)0.2814 (4)0.0619 (19)
H270.56510.25690.23480.074*
C280.4525 (5)0.1800 (4)0.2984 (4)0.068 (2)
H280.46320.15780.26330.082*
C290.3777 (5)0.1534 (4)0.3649 (4)0.0649 (19)
H290.33740.11160.37750.078*
C300.3603 (4)0.1874 (4)0.4145 (3)0.0529 (16)
H300.30540.16980.45930.064*
C10.0977 (3)0.2129 (3)0.5701 (3)0.0320 (13)
C20.0202 (4)0.2062 (3)0.5481 (3)0.0483 (16)
H2A0.00490.24850.51030.058*
C3−0.0346 (4)0.1397 (4)0.5801 (4)0.0532 (17)
H3−0.08590.13630.56340.064*
C4−0.0148 (4)0.0791 (3)0.6355 (3)0.0495 (16)
H4−0.05320.03360.65880.059*
C50.0602 (4)0.0842 (3)0.6574 (4)0.062 (2)
H50.07490.04150.69510.075*
C60.1154 (4)0.1500 (3)0.6263 (3)0.0509 (17)
H60.16640.15220.64370.061*
C70.1419 (4)0.3688 (3)0.4433 (3)0.0447 (15)
C80.1661 (4)0.3559 (4)0.3769 (3)0.0603 (18)
H80.20240.31630.37400.072*
C90.1361 (5)0.4022 (4)0.3136 (4)0.074 (2)
H90.15310.39470.26780.088*
C100.0810 (5)0.4589 (4)0.3203 (4)0.075 (2)
H100.06000.48980.27870.090*
C110.0566 (5)0.4711 (4)0.3860 (4)0.068 (2)
H110.02020.51050.38920.082*
C120.0854 (4)0.4258 (3)0.4468 (3)0.0527 (17)
H120.06630.43330.49270.063*
C130.1444 (4)0.3414 (3)0.6026 (3)0.0382 (14)
C140.0558 (4)0.3252 (3)0.6613 (3)0.0479 (16)
H140.00940.29160.66550.057*
C150.0346 (4)0.3568 (4)0.7130 (3)0.0562 (18)
H15−0.02620.34560.75140.067*
C160.1008 (5)0.4044 (3)0.7096 (4)0.0553 (17)
H160.08640.42590.74540.066*
C170.1884 (4)0.4205 (3)0.6532 (4)0.0514 (16)
H170.23460.45370.64980.062*
C180.2099 (4)0.3884 (3)0.6013 (3)0.0407 (14)
H180.27140.39910.56390.049*
Si30.10190 (9)0.72672 (8)0.00913 (8)0.0274 (4)
Si40.32006 (9)0.69827 (8)−0.02096 (8)0.0272 (4)
O40.0753 (2)0.77425 (19)−0.07009 (18)0.0372 (9)
H4A0.04480.8093−0.06560.056*
O30.2148 (2)0.72493 (18)−0.01884 (18)0.0353 (9)
C490.0418 (3)0.6318 (3)0.0516 (3)0.0295 (12)
C500.0627 (4)0.5732 (3)0.1106 (3)0.0466 (15)
H500.10780.58200.13070.056*
C510.0192 (4)0.5019 (3)0.1410 (4)0.0551 (17)
H510.03590.46280.18080.066*
C52−0.0466 (4)0.4876 (3)0.1147 (3)0.0431 (15)
H52−0.07720.43910.13680.052*
C53−0.0690 (4)0.5435 (3)0.0559 (3)0.0437 (15)
H53−0.11460.53380.03670.052*
C54−0.0244 (3)0.6150 (3)0.0243 (3)0.0378 (14)
H54−0.03960.6533−0.01690.045*
C550.0671 (4)0.7755 (3)0.0726 (3)0.0361 (13)
C56−0.0278 (4)0.7820 (3)0.1058 (3)0.0539 (17)
H56−0.07420.75950.09670.065*
C57−0.0569 (6)0.8197 (4)0.1514 (4)0.071 (2)
H57−0.12230.82300.17360.085*
C580.0105 (7)0.8530 (4)0.1643 (4)0.088 (3)
H58−0.00830.87870.19610.106*
C590.1047 (6)0.8486 (5)0.1310 (4)0.096 (3)
H590.15110.87110.14000.115*
C600.1320 (5)0.8115 (4)0.0844 (4)0.070 (2)
H600.19740.81090.05980.084*
C310.4043 (3)0.7838 (3)−0.0753 (3)0.0311 (13)
C320.3773 (4)0.8529 (3)−0.1120 (3)0.0436 (15)
H320.31440.8569−0.11320.052*
C330.4385 (4)0.9165 (3)−0.1470 (3)0.0532 (17)
H330.41780.9632−0.17230.064*
C340.5300 (4)0.9123 (3)−0.1453 (3)0.0521 (17)
H340.57180.9560−0.16800.062*
C350.5596 (4)0.8441 (4)−0.1104 (4)0.063 (2)
H350.62300.8405−0.11050.075*
C360.4981 (4)0.7808 (3)−0.0752 (4)0.0579 (19)
H360.51950.7343−0.05050.070*
C370.3436 (3)0.6322 (3)−0.0666 (3)0.0337 (13)
C380.4224 (4)0.5922 (3)−0.0663 (4)0.0532 (16)
H380.46250.5972−0.04030.064*
C390.4440 (4)0.5446 (4)−0.1034 (4)0.0636 (19)
H390.49900.5189−0.10370.076*
C400.3843 (4)0.5355 (4)−0.1396 (4)0.0598 (18)
H400.39800.5041−0.16540.072*
C410.3058 (4)0.5724 (3)−0.1374 (3)0.0466 (15)
H410.26430.5657−0.16170.056*
C420.2841 (4)0.6192 (3)−0.1014 (3)0.0372 (14)
H420.22760.6430−0.10020.045*
C430.3256 (3)0.6524 (3)0.0794 (3)0.0378 (14)
C440.3382 (5)0.6943 (5)0.1155 (4)0.080 (2)
H440.34820.74670.08800.097*
C450.3365 (6)0.6608 (7)0.1920 (5)0.112 (3)
H450.34400.69070.21660.135*
C460.3241 (6)0.5852 (7)0.2322 (5)0.095 (3)
H460.32160.56270.28470.114*
C470.3155 (6)0.5438 (5)0.1971 (4)0.092 (3)
H470.31020.49140.22360.111*
C480.3144 (5)0.5770 (4)0.1216 (4)0.068 (2)
H480.30540.54630.09840.082*
Si50.39510 (9)0.22194 (8)0.75524 (8)0.0318 (4)
Si60.60817 (9)0.19073 (8)0.70887 (8)0.0326 (4)
O60.3913 (3)0.2745 (2)0.67015 (19)0.0435 (10)
H6A0.38800.24830.64730.065*
O50.5025 (2)0.2045 (2)0.75410 (19)0.0412 (10)
C790.3205 (3)0.1320 (3)0.7994 (3)0.0337 (13)
C800.2858 (4)0.1057 (4)0.7573 (3)0.0519 (17)
H800.30130.13430.70310.062*
C810.2295 (4)0.0394 (4)0.7919 (4)0.0602 (18)
H810.20680.02340.76160.072*
C820.2064 (4)−0.0033 (3)0.8702 (4)0.0523 (17)
H820.1667−0.04840.89440.063*
C830.2413 (4)0.0200 (3)0.9129 (3)0.0512 (16)
H830.2270−0.00960.96690.061*
C840.2973 (4)0.0864 (3)0.8774 (3)0.0455 (15)
H840.32080.10130.90810.055*
C850.3551 (3)0.2752 (3)0.8141 (3)0.0315 (13)
C860.4014 (4)0.2800 (4)0.8621 (3)0.0558 (17)
H860.45660.25520.86510.067*
C870.3686 (5)0.3203 (4)0.9057 (4)0.0641 (19)
H870.40120.32230.93820.077*
C880.2898 (4)0.3569 (3)0.9019 (3)0.0538 (17)
H880.26750.38430.93180.065*
C890.2435 (4)0.3540 (3)0.8552 (3)0.0516 (17)
H890.18930.38010.85190.062*
C900.2745 (4)0.3130 (3)0.8117 (3)0.0401 (14)
H900.24040.31080.78020.048*
C610.6837 (3)0.2802 (3)0.6537 (3)0.0361 (13)
C620.7812 (4)0.2860 (4)0.6360 (4)0.0569 (18)
H620.81150.24270.65560.068*
C630.8351 (5)0.3535 (4)0.5902 (4)0.077 (2)
H630.90180.35550.57880.092*
C640.7950 (5)0.4176 (4)0.5610 (4)0.069 (2)
H640.83280.46360.52950.083*
C650.6986 (5)0.4137 (4)0.5783 (4)0.0588 (18)
H650.66930.45770.55900.071*
C660.6438 (4)0.3472 (3)0.6231 (3)0.0422 (14)
H660.57730.34610.63390.051*
C670.6033 (3)0.1545 (3)0.6384 (3)0.0295 (12)
C680.6517 (4)0.1908 (3)0.5588 (3)0.0465 (15)
H680.69050.23550.53930.056*
C690.6450 (4)0.1638 (4)0.5074 (4)0.0585 (18)
H690.67820.19030.45360.070*
C700.5910 (4)0.0994 (4)0.5339 (4)0.0547 (17)
H700.58720.08050.49860.066*
C710.5417 (4)0.0613 (3)0.6119 (4)0.0499 (16)
H710.50360.01650.63040.060*
C720.5480 (3)0.0888 (3)0.6630 (3)0.0398 (15)
H720.51370.06220.71660.048*
C730.6498 (3)0.1209 (3)0.7858 (3)0.0327 (13)
C740.7274 (4)0.0825 (3)0.7694 (3)0.0399 (14)
H740.76230.09330.71690.048*
C750.7550 (4)0.0288 (3)0.8275 (4)0.0501 (16)
H750.80950.00460.81440.060*
C760.7051 (4)0.0104 (3)0.9032 (4)0.0540 (17)
H760.7230−0.02790.94280.065*
C770.6286 (4)0.0474 (4)0.9224 (3)0.0618 (19)
H770.59490.03570.97520.074*
C780.6005 (4)0.1019 (3)0.8645 (3)0.0516 (17)
H780.54700.12670.87840.062*
Si7−0.10524 (9)0.23241 (8)0.26420 (7)0.0275 (4)
Si80.10227 (9)0.19132 (8)0.23385 (8)0.0299 (4)
O8−0.0967 (2)0.28293 (19)0.17544 (18)0.0388 (9)
H8A−0.09860.25560.15360.058*
O7−0.0038 (2)0.20801 (19)0.27514 (19)0.0361 (9)
C109−0.1486 (3)0.2906 (3)0.3164 (3)0.0297 (13)
C110−0.1053 (4)0.3012 (4)0.3632 (3)0.0522 (16)
H110−0.04960.27800.36840.063*
C111−0.1414 (5)0.3449 (4)0.4029 (4)0.0674 (19)
H111−0.10980.35180.43380.081*
C112−0.2219 (4)0.3774 (3)0.3969 (3)0.0548 (17)
H112−0.24760.40580.42520.066*
C113−0.2662 (4)0.3696 (3)0.3507 (3)0.0565 (18)
H113−0.32120.39380.34530.068*
C114−0.2301 (4)0.3256 (3)0.3112 (3)0.0469 (16)
H114−0.26210.31960.28010.056*
C115−0.1853 (3)0.1465 (3)0.3054 (3)0.0303 (12)
C116−0.2596 (4)0.1439 (4)0.2796 (4)0.075 (2)
H116−0.26860.18660.23850.090*
C117−0.3203 (5)0.0811 (4)0.3120 (5)0.092 (3)
H117−0.37020.08080.29270.110*
C118−0.3098 (4)0.0181 (3)0.3724 (3)0.0527 (17)
H118−0.3522−0.02530.39480.063*
C119−0.2387 (4)0.0193 (3)0.3990 (3)0.0482 (16)
H119−0.2305−0.02340.44050.058*
C120−0.1776 (4)0.0827 (3)0.3658 (3)0.0458 (16)
H120−0.12800.08240.38550.055*
C910.1854 (3)0.2766 (3)0.1860 (3)0.0363 (14)
C920.2685 (4)0.2761 (3)0.2036 (4)0.0566 (18)
H920.27980.23280.24280.068*
C930.3339 (4)0.3369 (4)0.1653 (4)0.070 (2)
H930.38930.33610.17850.084*
C940.3179 (4)0.4000 (4)0.1065 (4)0.062 (2)
H940.36520.44080.07660.075*
C950.2345 (5)0.4033 (3)0.0916 (3)0.0529 (17)
H950.22210.44740.05400.064*
C960.1686 (4)0.3422 (3)0.1319 (3)0.0380 (14)
H960.11030.34510.12230.046*
C970.1013 (3)0.1585 (3)0.1601 (3)0.0274 (12)
C980.0364 (3)0.1004 (3)0.1796 (3)0.0310 (13)
H98−0.00790.07900.23060.037*
C990.0336 (4)0.0725 (3)0.1275 (3)0.0364 (14)
H99−0.01150.03260.14310.044*
C1000.0972 (4)0.1034 (3)0.0529 (3)0.0425 (15)
H1000.09660.08490.01670.051*
C1010.1616 (4)0.1617 (3)0.0319 (3)0.0424 (15)
H1010.20500.1837−0.01950.051*
C1020.1639 (4)0.1884 (3)0.0843 (3)0.0386 (14)
H1020.20950.22820.06840.046*
C1030.1380 (3)0.1166 (3)0.3122 (3)0.0322 (13)
C1040.2090 (3)0.0730 (3)0.2937 (3)0.0348 (13)
H1040.23960.08200.24110.042*
C1050.2353 (4)0.0168 (3)0.3513 (3)0.0411 (14)
H1050.2853−0.01110.33790.049*
C1060.1891 (4)0.0014 (3)0.4280 (4)0.0473 (16)
H1060.2056−0.03830.46750.057*
C1070.1195 (4)0.0434 (4)0.4474 (3)0.0555 (18)
H1070.08860.03360.50020.067*
C1080.0940 (4)0.1001 (3)0.3901 (3)0.0416 (15)
H1080.04530.12860.40430.050*

Atomic displacement parameters (Å2)

U11U22U33U12U13U23
Si10.0271 (8)0.0377 (9)0.0358 (8)0.0028 (6)−0.0058 (6)−0.0239 (7)
Si20.0295 (8)0.0308 (9)0.0385 (8)0.0042 (6)−0.0121 (6)−0.0152 (7)
O20.042 (2)0.044 (2)0.043 (2)0.0095 (17)−0.0107 (17)−0.0260 (19)
O10.027 (2)0.047 (2)0.049 (2)0.0049 (17)−0.0065 (16)−0.0224 (19)
C190.025 (3)0.039 (3)0.041 (3)0.007 (2)−0.005 (2)−0.027 (3)
C200.038 (3)0.046 (4)0.042 (3)−0.003 (3)0.002 (3)−0.029 (3)
C210.038 (3)0.060 (5)0.065 (4)−0.006 (3)0.000 (3)−0.046 (4)
C220.044 (4)0.040 (4)0.077 (5)−0.002 (3)0.008 (3)−0.040 (4)
C230.068 (4)0.035 (4)0.060 (4)0.007 (3)−0.005 (4)−0.018 (4)
C240.059 (4)0.049 (4)0.060 (4)0.018 (3)−0.028 (3)−0.034 (4)
C250.034 (3)0.038 (4)0.045 (3)−0.004 (3)−0.004 (3)−0.024 (3)
C260.056 (4)0.051 (4)0.059 (4)0.001 (3)−0.009 (3)−0.037 (3)
C270.062 (4)0.071 (5)0.053 (4)0.012 (4)−0.001 (3)−0.041 (4)
C280.076 (5)0.079 (5)0.079 (5)0.004 (4)−0.019 (4)−0.067 (4)
C290.076 (5)0.059 (5)0.071 (5)−0.014 (4)−0.013 (4)−0.044 (4)
C300.056 (4)0.062 (4)0.046 (4)−0.013 (3)−0.005 (3)−0.034 (3)
C10.024 (3)0.035 (3)0.037 (3)0.003 (2)−0.005 (2)−0.018 (3)
C20.048 (4)0.043 (4)0.057 (4)0.005 (3)−0.026 (3)−0.019 (3)
C30.042 (4)0.060 (5)0.065 (4)−0.008 (3)−0.020 (3)−0.031 (4)
C40.051 (4)0.029 (4)0.060 (4)−0.008 (3)−0.006 (3)−0.018 (3)
C50.065 (4)0.029 (4)0.080 (5)−0.004 (3)−0.035 (4)−0.003 (3)
C60.049 (4)0.039 (4)0.063 (4)−0.002 (3)−0.027 (3)−0.012 (3)
C70.051 (4)0.038 (4)0.048 (4)−0.003 (3)−0.020 (3)−0.017 (3)
C80.082 (5)0.048 (4)0.048 (4)0.008 (3)−0.016 (3)−0.023 (3)
C90.092 (5)0.090 (6)0.060 (4)0.022 (5)−0.037 (4)−0.044 (4)
C100.106 (6)0.070 (5)0.062 (5)0.029 (4)−0.048 (4)−0.027 (4)
C110.103 (6)0.055 (5)0.065 (5)0.023 (4)−0.044 (4)−0.032 (4)
C120.068 (4)0.041 (4)0.052 (4)0.009 (3)−0.030 (3)−0.016 (3)
C130.034 (3)0.036 (3)0.051 (3)0.016 (3)−0.021 (3)−0.021 (3)
C140.044 (4)0.046 (4)0.056 (4)0.013 (3)−0.014 (3)−0.025 (3)
C150.056 (4)0.069 (5)0.059 (4)0.027 (4)−0.021 (3)−0.042 (4)
C160.075 (5)0.055 (4)0.065 (4)0.028 (4)−0.037 (4)−0.045 (4)
C170.059 (4)0.044 (4)0.070 (4)0.008 (3)−0.031 (4)−0.034 (4)
C180.037 (3)0.039 (4)0.052 (4)0.007 (3)−0.017 (3)−0.024 (3)
Si30.0244 (7)0.0293 (8)0.0327 (8)0.0060 (6)−0.0075 (6)−0.0188 (7)
Si40.0231 (7)0.0279 (8)0.0348 (8)0.0050 (6)−0.0098 (6)−0.0173 (7)
O40.040 (2)0.034 (2)0.044 (2)0.0177 (17)−0.0180 (17)−0.0226 (18)
O30.0254 (19)0.036 (2)0.042 (2)0.0046 (15)−0.0100 (15)−0.0148 (17)
C490.023 (3)0.038 (3)0.031 (3)0.003 (2)−0.002 (2)−0.024 (3)
C500.053 (4)0.043 (4)0.054 (4)0.007 (3)−0.032 (3)−0.019 (3)
C510.070 (4)0.028 (4)0.067 (4)0.008 (3)−0.031 (4)−0.014 (3)
C520.044 (3)0.032 (4)0.059 (4)0.007 (3)−0.013 (3)−0.028 (3)
C530.039 (3)0.055 (4)0.043 (3)−0.005 (3)−0.007 (3)−0.030 (3)
C540.037 (3)0.040 (4)0.036 (3)0.002 (3)−0.010 (3)−0.018 (3)
C550.041 (3)0.032 (3)0.035 (3)0.002 (3)−0.001 (2)−0.022 (3)
C560.057 (4)0.065 (4)0.054 (4)0.023 (3)−0.019 (3)−0.041 (4)
C570.083 (5)0.078 (6)0.069 (5)0.037 (4)−0.021 (4)−0.052 (4)
C580.133 (8)0.055 (5)0.062 (5)0.002 (5)0.012 (5)−0.045 (4)
C590.103 (7)0.103 (7)0.088 (6)−0.048 (5)0.014 (5)−0.075 (5)
C600.055 (4)0.092 (6)0.080 (5)−0.016 (4)0.004 (3)−0.069 (5)
C310.027 (3)0.030 (3)0.037 (3)0.002 (2)−0.007 (2)−0.017 (3)
C320.026 (3)0.038 (4)0.055 (4)0.008 (3)−0.013 (3)−0.011 (3)
C330.049 (4)0.032 (4)0.064 (4)0.005 (3)−0.013 (3)−0.011 (3)
C340.045 (4)0.036 (4)0.066 (4)−0.007 (3)−0.009 (3)−0.019 (3)
C350.032 (3)0.053 (4)0.089 (5)−0.004 (3)−0.027 (3)−0.012 (4)
C360.040 (4)0.039 (4)0.077 (4)−0.002 (3)−0.022 (3)−0.006 (3)
C370.025 (3)0.044 (3)0.038 (3)0.008 (2)−0.008 (2)−0.025 (3)
C380.045 (4)0.055 (4)0.078 (4)0.013 (3)−0.019 (3)−0.048 (4)
C390.049 (4)0.059 (4)0.097 (5)0.012 (3)−0.011 (4)−0.057 (4)
C400.060 (4)0.064 (5)0.068 (4)−0.003 (4)−0.005 (3)−0.051 (4)
C410.052 (4)0.050 (4)0.046 (3)0.001 (3)−0.019 (3)−0.026 (3)
C420.033 (3)0.040 (3)0.048 (3)0.004 (2)−0.011 (3)−0.028 (3)
C430.041 (3)0.033 (4)0.045 (3)0.000 (3)−0.019 (3)−0.018 (3)
C440.123 (6)0.080 (6)0.076 (5)0.027 (5)−0.061 (5)−0.049 (5)
C450.137 (8)0.169 (11)0.084 (7)0.031 (8)−0.060 (6)−0.087 (7)
C460.100 (6)0.134 (9)0.046 (5)0.005 (6)−0.034 (4)−0.024 (6)
C470.113 (7)0.090 (7)0.056 (5)0.004 (5)−0.038 (5)−0.005 (5)
C480.094 (5)0.067 (5)0.054 (4)0.011 (4)−0.039 (4)−0.024 (4)
Si50.0277 (8)0.0379 (9)0.0314 (8)0.0137 (7)−0.0084 (6)−0.0185 (7)
Si60.0244 (8)0.0336 (9)0.0439 (9)0.0089 (6)−0.0094 (6)−0.0224 (7)
O60.051 (2)0.044 (2)0.039 (2)0.0153 (19)−0.0158 (18)−0.0208 (19)
O50.0265 (19)0.053 (2)0.050 (2)0.0181 (17)−0.0104 (16)−0.030 (2)
C790.026 (3)0.046 (4)0.038 (3)0.019 (2)−0.012 (2)−0.026 (3)
C800.044 (4)0.073 (5)0.047 (4)0.003 (3)−0.015 (3)−0.034 (4)
C810.056 (4)0.071 (5)0.075 (5)0.006 (4)−0.035 (4)−0.041 (4)
C820.049 (4)0.042 (4)0.071 (5)0.003 (3)−0.029 (3)−0.021 (4)
C830.059 (4)0.043 (4)0.051 (4)0.001 (3)−0.019 (3)−0.017 (3)
C840.058 (4)0.039 (4)0.051 (4)0.009 (3)−0.028 (3)−0.023 (3)
C850.029 (3)0.036 (3)0.031 (3)0.004 (2)−0.005 (2)−0.020 (3)
C860.042 (4)0.083 (5)0.069 (4)0.021 (3)−0.027 (3)−0.053 (4)
C870.068 (5)0.088 (5)0.067 (4)0.010 (4)−0.033 (4)−0.053 (4)
C880.059 (4)0.052 (4)0.057 (4)0.003 (3)−0.008 (3)−0.038 (3)
C890.052 (4)0.047 (4)0.056 (4)0.025 (3)−0.008 (3)−0.031 (3)
C900.037 (3)0.044 (4)0.038 (3)0.009 (3)−0.010 (2)−0.018 (3)
C610.035 (3)0.039 (4)0.046 (3)0.006 (3)−0.012 (3)−0.030 (3)
C620.046 (4)0.048 (4)0.083 (5)0.004 (3)−0.022 (3)−0.033 (4)
C630.050 (4)0.077 (6)0.099 (6)−0.016 (4)−0.026 (4)−0.029 (5)
C640.090 (6)0.042 (4)0.083 (5)−0.011 (4)−0.031 (4)−0.030 (4)
C650.077 (5)0.040 (4)0.067 (4)0.007 (4)−0.022 (4)−0.032 (4)
C660.047 (3)0.034 (4)0.048 (3)0.007 (3)−0.013 (3)−0.022 (3)
C670.026 (3)0.022 (3)0.040 (3)0.006 (2)−0.013 (2)−0.011 (3)
C680.044 (3)0.034 (4)0.053 (4)−0.009 (3)0.001 (3)−0.022 (3)
C690.063 (4)0.066 (5)0.048 (4)0.005 (4)−0.007 (3)−0.034 (4)
C700.057 (4)0.064 (5)0.062 (5)0.017 (4)−0.024 (3)−0.043 (4)
C710.043 (4)0.042 (4)0.077 (5)0.004 (3)−0.032 (3)−0.029 (4)
C720.030 (3)0.044 (4)0.039 (3)0.002 (3)−0.014 (2)−0.010 (3)
C730.033 (3)0.034 (3)0.044 (3)0.011 (2)−0.015 (2)−0.028 (3)
C740.044 (3)0.045 (4)0.053 (3)0.015 (3)−0.023 (3)−0.037 (3)
C750.060 (4)0.050 (4)0.076 (5)0.029 (3)−0.046 (4)−0.045 (4)
C760.064 (4)0.050 (4)0.067 (4)0.022 (3)−0.043 (4)−0.029 (4)
C770.064 (4)0.074 (5)0.042 (4)0.016 (4)−0.018 (3)−0.021 (4)
C780.047 (4)0.062 (4)0.053 (4)0.026 (3)−0.023 (3)−0.029 (3)
Si70.0222 (7)0.0313 (9)0.0310 (8)0.0079 (6)−0.0080 (6)−0.0162 (7)
Si80.0242 (8)0.0279 (9)0.0442 (9)0.0078 (6)−0.0136 (6)−0.0203 (7)
O80.044 (2)0.037 (2)0.039 (2)0.0120 (18)−0.0152 (17)−0.0194 (18)
O70.0291 (19)0.041 (2)0.044 (2)0.0128 (16)−0.0168 (16)−0.0214 (18)
C1090.025 (3)0.028 (3)0.023 (3)0.003 (2)0.001 (2)−0.006 (2)
C1100.041 (3)0.068 (5)0.070 (4)0.009 (3)−0.023 (3)−0.048 (4)
C1110.079 (5)0.080 (5)0.071 (5)0.004 (4)−0.025 (4)−0.056 (4)
C1120.063 (4)0.048 (4)0.054 (4)0.010 (3)−0.002 (3)−0.035 (3)
C1130.060 (4)0.058 (4)0.056 (4)0.031 (3)−0.014 (3)−0.035 (4)
C1140.047 (4)0.053 (4)0.039 (3)0.018 (3)−0.010 (3)−0.022 (3)
C1150.023 (3)0.038 (3)0.040 (3)0.005 (2)−0.009 (2)−0.028 (3)
C1160.071 (5)0.048 (4)0.098 (5)−0.013 (4)−0.059 (4)0.001 (4)
C1170.089 (6)0.066 (5)0.129 (7)−0.019 (4)−0.073 (5)−0.020 (5)
C1180.053 (4)0.045 (4)0.063 (4)−0.011 (3)−0.015 (3)−0.027 (4)
C1190.053 (4)0.037 (4)0.048 (4)−0.007 (3)−0.020 (3)−0.009 (3)
C1200.044 (3)0.053 (4)0.040 (3)−0.003 (3)−0.021 (3)−0.014 (3)
C910.029 (3)0.038 (4)0.053 (3)0.012 (2)−0.013 (3)−0.031 (3)
C920.040 (4)0.038 (4)0.097 (5)0.011 (3)−0.027 (3)−0.032 (4)
C930.039 (4)0.055 (5)0.114 (6)0.003 (3)−0.029 (4)−0.031 (5)
C940.039 (4)0.044 (4)0.086 (5)−0.008 (3)−0.009 (3)−0.019 (4)
C950.082 (5)0.028 (4)0.051 (4)0.002 (3)−0.017 (3)−0.021 (3)
C960.040 (3)0.032 (3)0.045 (3)−0.004 (3)−0.015 (3)−0.018 (3)
C970.021 (3)0.018 (3)0.042 (3)0.007 (2)−0.014 (2)−0.010 (2)
C980.031 (3)0.024 (3)0.039 (3)0.007 (2)−0.015 (2)−0.012 (3)
C990.036 (3)0.023 (3)0.056 (4)0.010 (2)−0.023 (3)−0.018 (3)
C1000.050 (4)0.042 (4)0.050 (4)0.023 (3)−0.028 (3)−0.028 (3)
C1010.045 (3)0.043 (4)0.037 (3)0.008 (3)−0.010 (3)−0.018 (3)
C1020.038 (3)0.034 (3)0.043 (3)0.004 (3)−0.009 (3)−0.019 (3)
C1030.029 (3)0.027 (3)0.050 (3)0.002 (2)−0.015 (2)−0.023 (3)
C1040.033 (3)0.043 (3)0.047 (3)0.010 (3)−0.022 (3)−0.030 (3)
C1050.044 (3)0.042 (4)0.068 (4)0.023 (3)−0.033 (3)−0.042 (3)
C1060.057 (4)0.038 (4)0.061 (4)0.012 (3)−0.037 (3)−0.021 (3)
C1070.047 (4)0.069 (5)0.045 (4)0.007 (3)−0.022 (3)−0.015 (3)
C1080.034 (3)0.054 (4)0.046 (3)0.021 (3)−0.015 (3)−0.032 (3)

Geometric parameters (Å, °)

Si1—O11.605 (3)Si5—O51.627 (3)
Si1—O21.643 (4)Si5—O61.612 (3)
Si1—C191.861 (5)Si5—C791.870 (6)
Si1—C251.856 (6)Si5—C851.855 (5)
Si2—O11.625 (3)Si6—O51.631 (3)
Si2—C11.872 (5)Si6—C611.856 (5)
Si2—C71.860 (5)Si6—C671.866 (6)
Si2—C131.868 (6)Si6—C731.863 (5)
O2—H20.8400O6—H6A0.8400
C19—C241.398 (7)C79—C841.382 (7)
C19—C201.402 (7)C79—C801.399 (8)
C20—C211.388 (8)C80—C811.383 (8)
C20—H200.9500C80—H800.9500
C21—C221.358 (8)C81—C821.375 (8)
C21—H210.9500C81—H810.9500
C22—C231.370 (9)C82—C831.373 (8)
C22—H220.9500C82—H820.9500
C23—C241.395 (8)C83—C841.381 (8)
C23—H230.9500C83—H830.9500
C24—H240.9500C84—H840.9500
C25—C301.378 (8)C85—C861.394 (7)
C25—C261.400 (7)C85—C901.398 (7)
C26—C271.406 (9)C86—C871.394 (9)
C26—H260.9500C86—H860.9500
C27—C281.367 (9)C87—C881.367 (8)
C27—H270.9500C87—H870.9500
C28—C291.355 (8)C88—C891.359 (8)
C28—H280.9500C88—H880.9500
C29—C301.383 (9)C89—C901.398 (8)
C29—H290.9500C89—H890.9500
C30—H300.9500C90—H900.9500
C1—C61.381 (7)C61—C621.389 (7)
C1—C21.402 (7)C61—C661.413 (7)
C2—C31.381 (8)C62—C631.384 (9)
C2—H2A0.9500C62—H620.9500
C3—C41.360 (8)C63—C641.369 (9)
C3—H30.9500C63—H630.9500
C4—C51.358 (8)C64—C651.373 (8)
C4—H40.9500C64—H640.9500
C5—C61.375 (8)C65—C661.373 (8)
C5—H50.9500C65—H650.9500
C6—H60.9500C66—H660.9500
C7—C121.398 (8)C67—C681.399 (7)
C7—C81.399 (8)C67—C721.399 (7)
C8—C91.424 (8)C68—C691.383 (8)
C8—H80.9500C68—H680.9500
C9—C101.397 (9)C69—C701.361 (9)
C9—H90.9500C69—H690.9500
C10—C111.377 (9)C70—C711.381 (8)
C10—H100.9500C70—H700.9500
C11—C121.372 (8)C71—C721.384 (8)
C11—H110.9500C71—H710.9500
C12—H120.9500C72—H720.9500
C13—C181.380 (7)C73—C741.390 (7)
C13—C141.409 (7)C73—C781.407 (7)
C14—C151.381 (8)C74—C751.385 (7)
C14—H140.9500C74—H740.9500
C15—C161.376 (8)C75—C761.360 (8)
C15—H150.9500C75—H750.9500
C16—C171.378 (8)C76—C771.371 (8)
C16—H160.9500C76—H760.9500
C17—C181.391 (8)C77—C781.392 (7)
C17—H170.9500C77—H770.9500
C18—H180.9500C78—H780.9500
Si3—O31.608 (3)Si7—O71.631 (3)
Si3—O41.648 (3)Si7—O81.610 (3)
Si3—C491.860 (5)Si7—C1091.842 (5)
Si3—C551.851 (5)Si7—C1151.859 (5)
Si4—O31.636 (3)Si8—O71.632 (3)
Si4—C311.864 (5)Si8—C911.859 (5)
Si4—C371.866 (6)Si8—C971.865 (5)
Si4—C431.868 (5)Si8—C1031.873 (5)
O4—H4A0.8400O8—H8A0.8400
C49—C501.387 (7)C109—C1101.390 (7)
C49—C541.393 (7)C109—C1141.392 (7)
C50—C511.392 (8)C110—C1111.399 (9)
C50—H500.9500C110—H1100.9500
C51—C521.354 (8)C111—C1121.360 (8)
C51—H510.9500C111—H1110.9500
C52—C531.370 (7)C112—C1131.368 (8)
C52—H520.9500C112—H1120.9500
C53—C541.398 (7)C113—C1141.399 (8)
C53—H530.9500C113—H1130.9500
C54—H540.9500C114—H1140.9500
C55—C601.372 (8)C115—C1201.378 (7)
C55—C561.391 (7)C115—C1161.386 (7)
C56—C571.376 (9)C116—C1171.369 (9)
C56—H560.9500C116—H1160.9500
C57—C581.384 (10)C117—C1181.385 (8)
C57—H570.9500C117—H1170.9500
C58—C591.372 (10)C118—C1191.345 (8)
C58—H580.9500C118—H1180.9500
C59—C601.380 (10)C119—C1201.381 (8)
C59—H590.9500C119—H1190.9500
C60—H600.9500C120—H1200.9500
C31—C321.380 (7)C91—C961.386 (7)
C31—C361.408 (7)C91—C921.400 (7)
C32—C331.381 (8)C92—C931.371 (8)
C32—H320.9500C92—H920.9500
C33—C341.381 (8)C93—C941.399 (8)
C33—H330.9500C93—H930.9500
C34—C351.377 (8)C94—C951.370 (8)
C34—H340.9500C94—H940.9500
C35—C361.378 (8)C95—C961.379 (7)
C35—H350.9500C95—H950.9500
C36—H360.9500C96—H960.9500
C37—C421.392 (7)C97—C981.391 (7)
C37—C381.394 (7)C97—C1021.393 (7)
C38—C391.408 (9)C98—C991.392 (7)
C38—H380.9500C98—H980.9500
C39—C401.383 (9)C99—C1001.383 (7)
C39—H390.9500C99—H990.9500
C40—C411.357 (8)C100—C1011.380 (8)
C40—H400.9500C100—H1000.9500
C41—C421.376 (8)C101—C1021.379 (8)
C41—H410.9500C101—H1010.9500
C42—H420.9500C102—H1020.9500
C43—C441.373 (9)C103—C1081.390 (7)
C43—C481.373 (8)C103—C1041.400 (7)
C44—C451.394 (10)C104—C1051.389 (7)
C44—H440.9500C104—H1040.9500
C45—C461.372 (12)C105—C1061.379 (8)
C45—H450.9500C105—H1050.9500
C46—C471.329 (12)C106—C1071.370 (8)
C46—H460.9500C106—H1060.9500
C47—C481.387 (9)C107—C1081.383 (7)
C47—H470.9500C107—H1070.9500
C48—H480.9500C108—H1080.9500
O1—Si1—O2104.17 (18)O6—Si5—O5112.03 (19)
O1—Si1—C25109.1 (2)O6—Si5—C85106.6 (2)
O2—Si1—C25111.2 (2)O5—Si5—C85106.0 (2)
O1—Si1—C19110.9 (2)O6—Si5—C79111.8 (2)
O2—Si1—C19109.2 (2)O5—Si5—C79108.5 (2)
C25—Si1—C19112.1 (2)C85—Si5—C79111.8 (2)
O1—Si2—C7112.3 (2)O5—Si6—C61109.1 (2)
O1—Si2—C13108.5 (2)O5—Si6—C73105.4 (2)
C7—Si2—C13109.1 (3)C61—Si6—C73113.6 (2)
O1—Si2—C1108.6 (2)O5—Si6—C67110.4 (2)
C7—Si2—C1108.2 (2)C61—Si6—C67107.8 (2)
C13—Si2—C1110.1 (2)C73—Si6—C67110.5 (2)
Si1—O2—H2109.5Si5—O6—H6A109.5
Si1—O1—Si2169.5 (2)Si5—O5—Si6149.0 (2)
C24—C19—C20116.3 (5)C84—C79—C80115.5 (5)
C24—C19—Si1122.2 (4)C84—C79—Si5120.8 (4)
C20—C19—Si1121.5 (4)C80—C79—Si5123.7 (4)
C21—C20—C19121.4 (6)C81—C80—C79122.2 (6)
C21—C20—H20119.3C81—C80—H80118.9
C19—C20—H20119.3C79—C80—H80118.9
C22—C21—C20120.8 (6)C82—C81—C80120.1 (6)
C22—C21—H21119.6C82—C81—H81120.0
C20—C21—H21119.6C80—C81—H81120.0
C21—C22—C23120.0 (6)C83—C82—C81119.2 (6)
C21—C22—H22120.0C83—C82—H82120.4
C23—C22—H22120.0C81—C82—H82120.4
C22—C23—C24119.9 (6)C82—C83—C84119.9 (6)
C22—C23—H23120.1C82—C83—H83120.0
C24—C23—H23120.1C84—C83—H83120.0
C23—C24—C19121.7 (6)C83—C84—C79123.0 (6)
C23—C24—H24119.1C83—C84—H84118.5
C19—C24—H24119.1C79—C84—H84118.5
C30—C25—C26115.7 (5)C86—C85—C90116.8 (5)
C30—C25—Si1121.4 (4)C86—C85—Si5123.4 (4)
C26—C25—Si1122.8 (4)C90—C85—Si5119.8 (4)
C25—C26—C27121.4 (6)C87—C86—C85121.5 (5)
C25—C26—H26119.3C87—C86—H86119.3
C27—C26—H26119.3C85—C86—H86119.3
C28—C27—C26119.6 (6)C88—C87—C86120.3 (6)
C28—C27—H27120.2C88—C87—H87119.8
C26—C27—H27120.2C86—C87—H87119.8
C29—C28—C27120.3 (6)C89—C88—C87119.6 (6)
C29—C28—H28119.8C89—C88—H88120.2
C27—C28—H28119.8C87—C88—H88120.2
C28—C29—C30119.7 (6)C88—C89—C90120.9 (5)
C28—C29—H29120.1C88—C89—H89119.5
C30—C29—H29120.1C90—C89—H89119.5
C25—C30—C29123.2 (6)C89—C90—C85120.8 (5)
C25—C30—H30118.4C89—C90—H90119.6
C29—C30—H30118.4C85—C90—H90119.6
C6—C1—C2116.6 (5)C62—C61—C66116.0 (5)
C6—C1—Si2120.9 (4)C62—C61—Si6123.5 (4)
C2—C1—Si2122.5 (4)C66—C61—Si6120.4 (4)
C3—C2—C1121.6 (5)C63—C62—C61121.3 (6)
C3—C2—H2A119.2C63—C62—H62119.4
C1—C2—H2A119.2C61—C62—H62119.4
C4—C3—C2119.9 (5)C64—C63—C62121.7 (6)
C4—C3—H3120.1C64—C63—H63119.2
C2—C3—H3120.1C62—C63—H63119.2
C5—C4—C3119.5 (5)C63—C64—C65118.3 (6)
C5—C4—H4120.3C63—C64—H64120.8
C3—C4—H4120.3C65—C64—H64120.8
C4—C5—C6121.4 (5)C64—C65—C66120.9 (6)
C4—C5—H5119.3C64—C65—H65119.5
C6—C5—H5119.3C66—C65—H65119.5
C5—C6—C1121.0 (5)C65—C66—C61121.8 (5)
C5—C6—H6119.5C65—C66—H66119.1
C1—C6—H6119.5C61—C66—H66119.1
C12—C7—C8118.6 (5)C68—C67—C72115.8 (5)
C12—C7—Si2121.3 (5)C68—C67—Si6123.4 (4)
C8—C7—Si2119.5 (5)C72—C67—Si6120.8 (4)
C7—C8—C9119.9 (6)C69—C68—C67122.3 (5)
C7—C8—H8120.1C69—C68—H68118.8
C9—C8—H8120.1C67—C68—H68118.8
C10—C9—C8118.6 (7)C70—C69—C68120.0 (6)
C10—C9—H9120.7C70—C69—H69120.0
C8—C9—H9120.7C68—C69—H69120.0
C11—C10—C9121.4 (6)C69—C70—C71120.1 (6)
C11—C10—H10119.3C69—C70—H70120.0
C9—C10—H10119.3C71—C70—H70120.0
C12—C11—C10119.4 (7)C70—C71—C72119.7 (6)
C12—C11—H11120.3C70—C71—H71120.2
C10—C11—H11120.3C72—C71—H71120.2
C11—C12—C7122.0 (6)C71—C72—C67122.1 (5)
C11—C12—H12119.0C71—C72—H72118.9
C7—C12—H12119.0C67—C72—H72118.9
C18—C13—C14116.5 (5)C74—C73—C78116.5 (5)
C18—C13—Si2121.6 (4)C74—C73—Si6122.6 (4)
C14—C13—Si2121.9 (4)C78—C73—Si6120.9 (4)
C15—C14—C13121.6 (6)C75—C74—C73121.6 (5)
C15—C14—H14119.2C75—C74—H74119.2
C13—C14—H14119.2C73—C74—H74119.2
C16—C15—C14120.6 (6)C76—C75—C74120.7 (5)
C16—C15—H15119.7C76—C75—H75119.7
C14—C15—H15119.7C74—C75—H75119.7
C15—C16—C17118.8 (6)C75—C76—C77119.9 (5)
C15—C16—H16120.6C75—C76—H76120.1
C17—C16—H16120.6C77—C76—H76120.1
C16—C17—C18120.6 (6)C76—C77—C78120.0 (6)
C16—C17—H17119.7C76—C77—H77120.0
C18—C17—H17119.7C78—C77—H77120.0
C13—C18—C17121.9 (5)C77—C78—C73121.3 (5)
C13—C18—H18119.1C77—C78—H78119.4
C17—C18—H18119.1C73—C78—H78119.4
O3—Si3—O4105.95 (17)O8—Si7—O7113.08 (18)
O3—Si3—C55109.9 (2)O8—Si7—C109106.2 (2)
O4—Si3—C55109.0 (2)O7—Si7—C109106.6 (2)
O3—Si3—C49110.2 (2)O8—Si7—C115111.2 (2)
O4—Si3—C49106.2 (2)O7—Si7—C115107.6 (2)
C55—Si3—C49115.1 (2)C109—Si7—C115112.1 (2)
O3—Si4—C31106.6 (2)O7—Si8—C91110.1 (2)
O3—Si4—C37108.1 (2)O7—Si8—C97110.42 (19)
C31—Si4—C37113.9 (2)C91—Si8—C97109.1 (2)
O3—Si4—C43110.2 (2)O7—Si8—C103106.7 (2)
C31—Si4—C43107.9 (2)C91—Si8—C103111.1 (2)
C37—Si4—C43110.2 (2)C97—Si8—C103109.4 (2)
Si3—O4—H4A109.5Si7—O8—H8A109.5
Si3—O3—Si4161.2 (2)Si7—O7—Si8145.1 (2)
C50—C49—C54116.3 (5)C110—C109—C114116.5 (5)
C50—C49—Si3121.7 (4)C110—C109—Si7123.7 (4)
C54—C49—Si3122.0 (4)C114—C109—Si7119.7 (4)
C49—C50—C51121.6 (5)C109—C110—C111122.0 (6)
C49—C50—H50119.2C109—C110—H110119.0
C51—C50—H50119.2C111—C110—H110119.0
C52—C51—C50120.8 (5)C112—C111—C110119.6 (6)
C52—C51—H51119.6C112—C111—H111120.2
C50—C51—H51119.6C110—C111—H111120.2
C51—C52—C53119.7 (5)C111—C112—C113120.5 (6)
C51—C52—H52120.1C111—C112—H112119.7
C53—C52—H52120.1C113—C112—H112119.7
C52—C53—C54119.6 (5)C112—C113—C114119.7 (6)
C52—C53—H53120.2C112—C113—H113120.2
C54—C53—H53120.2C114—C113—H113120.2
C49—C54—C53121.9 (5)C109—C114—C113121.7 (6)
C49—C54—H54119.0C109—C114—H114119.2
C53—C54—H54119.0C113—C114—H114119.2
C60—C55—C56116.9 (5)C120—C115—C116115.9 (5)
C60—C55—Si3122.7 (4)C120—C115—Si7122.4 (4)
C56—C55—Si3120.3 (4)C116—C115—Si7121.7 (4)
C57—C56—C55122.5 (7)C117—C116—C115121.4 (6)
C57—C56—H56118.8C117—C116—H116119.3
C55—C56—H56118.8C115—C116—H116119.3
C56—C57—C58118.9 (7)C116—C117—C118120.8 (6)
C56—C57—H57120.6C116—C117—H117119.6
C58—C57—H57120.6C118—C117—H117119.6
C59—C58—C57119.8 (7)C119—C118—C117118.9 (6)
C59—C58—H58120.1C119—C118—H118120.5
C57—C58—H58120.1C117—C118—H118120.5
C58—C59—C60120.0 (7)C118—C119—C120119.8 (5)
C58—C59—H59120.0C118—C119—H119120.1
C60—C59—H59120.0C120—C119—H119120.1
C55—C60—C59121.9 (6)C115—C120—C119123.1 (5)
C55—C60—H60119.1C115—C120—H120118.4
C59—C60—H60119.1C119—C120—H120118.4
C32—C31—C36116.7 (5)C96—C91—C92117.7 (5)
C32—C31—Si4122.8 (4)C96—C91—Si8122.0 (4)
C36—C31—Si4120.3 (4)C92—C91—Si8120.3 (4)
C31—C32—C33122.2 (5)C93—C92—C91121.3 (6)
C31—C32—H32118.9C93—C92—H92119.4
C33—C32—H32118.9C91—C92—H92119.4
C32—C33—C34120.0 (5)C92—C93—C94119.2 (6)
C32—C33—H33120.0C92—C93—H93120.4
C34—C33—H33120.0C94—C93—H93120.4
C35—C34—C33119.2 (5)C95—C94—C93120.4 (6)
C35—C34—H34120.4C95—C94—H94119.8
C33—C34—H34120.4C93—C94—H94119.8
C34—C35—C36120.6 (5)C94—C95—C96119.5 (6)
C34—C35—H35119.7C94—C95—H95120.3
C36—C35—H35119.7C96—C95—H95120.3
C35—C36—C31121.3 (5)C95—C96—C91121.6 (5)
C35—C36—H36119.4C95—C96—H96119.2
C31—C36—H36119.4C91—C96—H96119.2
C42—C37—C38116.6 (5)C98—C97—C102116.2 (5)
C42—C37—Si4122.6 (4)C98—C97—Si8120.1 (4)
C38—C37—Si4120.8 (4)C102—C97—Si8123.7 (4)
C37—C38—C39121.8 (6)C97—C98—C99122.7 (5)
C37—C38—H38119.1C97—C98—H98118.6
C39—C38—H38119.1C99—C98—H98118.6
C40—C39—C38119.3 (6)C100—C99—C98119.4 (5)
C40—C39—H39120.4C100—C99—H99120.3
C38—C39—H39120.4C98—C99—H99120.3
C41—C40—C39118.8 (6)C101—C100—C99118.9 (6)
C41—C40—H40120.6C101—C100—H100120.5
C39—C40—H40120.6C99—C100—H100120.5
C40—C41—C42122.3 (6)C102—C101—C100121.0 (5)
C40—C41—H41118.8C102—C101—H101119.5
C42—C41—H41118.8C100—C101—H101119.5
C41—C42—C37121.0 (5)C101—C102—C97121.8 (5)
C41—C42—H42119.5C101—C102—H102119.1
C37—C42—H42119.5C97—C102—H102119.1
C44—C43—C48116.6 (6)C108—C103—C104117.4 (5)
C44—C43—Si4120.1 (5)C108—C103—Si8122.4 (4)
C48—C43—Si4123.2 (5)C104—C103—Si8120.2 (4)
C43—C44—C45120.7 (8)C105—C104—C103120.7 (5)
C43—C44—H44119.7C105—C104—H104119.6
C45—C44—H44119.7C103—C104—H104119.6
C46—C45—C44120.6 (9)C106—C105—C104120.2 (5)
C46—C45—H45119.7C106—C105—H105119.9
C44—C45—H45119.7C104—C105—H105119.9
C47—C46—C45119.4 (8)C107—C106—C105120.0 (5)
C47—C46—H46120.3C107—C106—H106120.0
C45—C46—H46120.3C105—C106—H106120.0
C46—C47—C48120.2 (8)C106—C107—C108120.0 (6)
C46—C47—H47119.9C106—C107—H107120.0
C48—C47—H47119.9C108—C107—H107120.0
C43—C48—C47122.5 (8)C107—C108—C103121.7 (5)
C43—C48—H48118.8C107—C108—H108119.1
C47—C48—H48118.8C103—C108—H108119.1
O2—Si1—O1—Si2156.0 (15)O6—Si5—O5—Si6−33.0 (6)
C25—Si1—O1—Si2−85.2 (16)C85—Si5—O5—Si6−148.9 (5)
C19—Si1—O1—Si238.7 (16)C79—Si5—O5—Si690.9 (5)
C7—Si2—O1—Si120.3 (16)C61—Si6—O5—Si592.5 (5)
C13—Si2—O1—Si1−100.4 (16)C73—Si6—O5—Si5−145.2 (5)
C1—Si2—O1—Si1139.9 (15)C67—Si6—O5—Si5−25.8 (6)
O1—Si1—C19—C24−75.4 (4)O6—Si5—C79—C84−165.6 (4)
O2—Si1—C19—C24170.4 (4)O5—Si5—C79—C8470.3 (4)
C25—Si1—C19—C2446.7 (5)C85—Si5—C79—C84−46.2 (4)
O1—Si1—C19—C20105.7 (4)O6—Si5—C79—C8015.2 (5)
O2—Si1—C19—C20−8.5 (5)O5—Si5—C79—C80−108.8 (4)
C25—Si1—C19—C20−132.2 (4)C85—Si5—C79—C80134.6 (4)
C24—C19—C20—C21−0.1 (7)C84—C79—C80—C811.9 (8)
Si1—C19—C20—C21178.9 (4)Si5—C79—C80—C81−178.9 (4)
C19—C20—C21—C22−0.4 (8)C79—C80—C81—C82−0.4 (9)
C20—C21—C22—C231.2 (8)C80—C81—C82—C83−1.3 (9)
C21—C22—C23—C24−1.5 (9)C81—C82—C83—C841.4 (9)
C22—C23—C24—C190.9 (9)C82—C83—C84—C790.2 (9)
C20—C19—C24—C23−0.2 (8)C80—C79—C84—C83−1.8 (8)
Si1—C19—C24—C23−179.1 (4)Si5—C79—C84—C83179.0 (4)
O1—Si1—C25—C30−36.8 (5)O6—Si5—C85—C86−134.3 (5)
O2—Si1—C25—C3077.5 (5)O5—Si5—C85—C86−14.7 (5)
C19—Si1—C25—C30−160.0 (5)C79—Si5—C85—C86103.3 (5)
O1—Si1—C25—C26142.1 (5)O6—Si5—C85—C9045.9 (4)
O2—Si1—C25—C26−103.6 (5)O5—Si5—C85—C90165.4 (4)
C19—Si1—C25—C2618.9 (5)C79—Si5—C85—C90−76.6 (4)
C30—C25—C26—C27−1.2 (8)C90—C85—C86—C870.3 (9)
Si1—C25—C26—C27179.8 (5)Si5—C85—C86—C87−179.6 (5)
C25—C26—C27—C28−0.1 (9)C85—C86—C87—C88−0.5 (10)
C26—C27—C28—C29−0.4 (10)C86—C87—C88—C89−0.1 (10)
C27—C28—C29—C302.2 (11)C87—C88—C89—C901.0 (9)
C26—C25—C30—C293.1 (9)C88—C89—C90—C85−1.3 (9)
Si1—C25—C30—C29−177.9 (5)C86—C85—C90—C890.6 (8)
C28—C29—C30—C25−3.8 (10)Si5—C85—C90—C89−179.5 (4)
O1—Si2—C1—C647.1 (5)O5—Si6—C61—C62152.4 (5)
C7—Si2—C1—C6169.3 (4)C73—Si6—C61—C6235.1 (6)
C13—Si2—C1—C6−71.5 (5)C67—Si6—C61—C62−87.7 (5)
O1—Si2—C1—C2−135.5 (4)O5—Si6—C61—C66−31.3 (5)
C7—Si2—C1—C2−13.3 (5)C73—Si6—C61—C66−148.6 (4)
C13—Si2—C1—C2105.9 (5)C67—Si6—C61—C6688.6 (5)
C6—C1—C2—C3−1.1 (9)C66—C61—C62—C63−0.8 (9)
Si2—C1—C2—C3−178.6 (5)Si6—C61—C62—C63175.6 (6)
C1—C2—C3—C41.4 (9)C61—C62—C63—C640.5 (11)
C2—C3—C4—C5−1.7 (10)C62—C63—C64—C650.2 (11)
C3—C4—C5—C61.8 (11)C63—C64—C65—C66−0.7 (10)
C4—C5—C6—C1−1.6 (11)C64—C65—C66—C610.4 (10)
C2—C1—C6—C51.2 (9)C62—C61—C66—C650.4 (8)
Si2—C1—C6—C5178.8 (5)Si6—C61—C66—C65−176.2 (5)
O1—Si2—C7—C12−135.9 (5)O5—Si6—C67—C68120.3 (4)
C13—Si2—C7—C12−15.6 (6)C61—Si6—C67—C681.2 (5)
C1—Si2—C7—C12104.3 (5)C73—Si6—C67—C68−123.5 (4)
O1—Si2—C7—C852.5 (6)O5—Si6—C67—C72−58.3 (4)
C13—Si2—C7—C8172.8 (5)C61—Si6—C67—C72−177.4 (4)
C1—Si2—C7—C8−67.4 (5)C73—Si6—C67—C7257.9 (4)
C12—C7—C8—C92.3 (9)C72—C67—C68—C690.4 (8)
Si2—C7—C8—C9174.2 (5)Si6—C67—C68—C69−178.3 (4)
C7—C8—C9—C10−1.3 (10)C67—C68—C69—C70−0.9 (9)
C8—C9—C10—C110.8 (12)C68—C69—C70—C710.9 (9)
C9—C10—C11—C12−1.2 (12)C69—C70—C71—C72−0.4 (8)
C10—C11—C12—C72.3 (10)C70—C71—C72—C67−0.1 (8)
C8—C7—C12—C11−2.9 (9)C68—C67—C72—C710.1 (7)
Si2—C7—C12—C11−174.6 (5)Si6—C67—C72—C71178.8 (4)
O1—Si2—C13—C1835.2 (5)O5—Si6—C73—C74165.2 (4)
C7—Si2—C13—C18−87.4 (4)C61—Si6—C73—C74−75.4 (5)
C1—Si2—C13—C18153.9 (4)C67—Si6—C73—C7445.9 (5)
O1—Si2—C13—C14−145.8 (4)O5—Si6—C73—C78−11.6 (5)
C7—Si2—C13—C1491.5 (5)C61—Si6—C73—C78107.8 (5)
C1—Si2—C13—C14−27.1 (5)C67—Si6—C73—C78−130.9 (5)
C18—C13—C14—C152.3 (7)C78—C73—C74—C75−0.6 (8)
Si2—C13—C14—C15−176.7 (4)Si6—C73—C74—C75−177.5 (4)
C13—C14—C15—C16−1.3 (9)C73—C74—C75—C761.9 (9)
C14—C15—C16—C170.5 (9)C74—C75—C76—C77−2.7 (10)
C15—C16—C17—C18−0.7 (8)C75—C76—C77—C782.1 (10)
C14—C13—C18—C17−2.6 (7)C76—C77—C78—C73−0.8 (10)
Si2—C13—C18—C17176.4 (4)C74—C73—C78—C770.0 (9)
C16—C17—C18—C131.9 (8)Si6—C73—C78—C77177.0 (5)
O4—Si3—O3—Si4−153.8 (8)O8—Si7—O7—Si8−27.5 (5)
C55—Si3—O3—Si488.6 (8)C109—Si7—O7—Si8−143.8 (4)
C49—Si3—O3—Si4−39.4 (9)C115—Si7—O7—Si895.7 (4)
C31—Si4—O3—Si3−151.4 (8)C91—Si8—O7—Si792.4 (4)
C37—Si4—O3—Si385.9 (8)C97—Si8—O7—Si7−28.2 (5)
C43—Si4—O3—Si3−34.5 (9)C103—Si8—O7—Si7−147.0 (4)
O3—Si3—C49—C5053.4 (5)O8—Si7—C109—C110−128.3 (5)
O4—Si3—C49—C50167.7 (4)O7—Si7—C109—C110−7.4 (5)
C55—Si3—C49—C50−71.6 (5)C115—Si7—C109—C110110.1 (5)
O3—Si3—C49—C54−124.5 (4)O8—Si7—C109—C11453.0 (4)
O4—Si3—C49—C54−10.2 (5)O7—Si7—C109—C114173.9 (4)
C55—Si3—C49—C54110.5 (4)C115—Si7—C109—C114−68.6 (4)
C54—C49—C50—C51−0.5 (8)C114—C109—C110—C111−0.2 (8)
Si3—C49—C50—C51−178.5 (5)Si7—C109—C110—C111−179.0 (5)
C49—C50—C51—C52−1.2 (9)C109—C110—C111—C1121.0 (10)
C50—C51—C52—C531.8 (9)C110—C111—C112—C113−2.0 (10)
C51—C52—C53—C54−0.8 (8)C111—C112—C113—C1142.2 (10)
C50—C49—C54—C531.5 (7)C110—C109—C114—C1130.4 (8)
Si3—C49—C54—C53179.5 (4)Si7—C109—C114—C113179.2 (4)
C52—C53—C54—C49−0.9 (8)C112—C113—C114—C109−1.4 (9)
O3—Si3—C55—C607.2 (6)O8—Si7—C115—C120154.1 (4)
O4—Si3—C55—C60−108.5 (5)O7—Si7—C115—C12029.8 (5)
C49—Si3—C55—C60132.4 (5)C109—Si7—C115—C120−87.2 (5)
O3—Si3—C55—C56−178.1 (4)O8—Si7—C115—C116−29.1 (6)
O4—Si3—C55—C5666.2 (5)O7—Si7—C115—C116−153.5 (5)
C49—Si3—C55—C56−52.9 (5)C109—Si7—C115—C11689.6 (6)
C60—C55—C56—C57−2.8 (9)C120—C115—C116—C117−0.8 (11)
Si3—C55—C56—C57−177.9 (5)Si7—C115—C116—C117−177.8 (7)
C55—C56—C57—C580.4 (10)C115—C116—C117—C1180.6 (13)
C56—C57—C58—C590.8 (11)C116—C117—C118—C119−0.1 (12)
C57—C58—C59—C600.4 (12)C117—C118—C119—C120−0.1 (10)
C56—C55—C60—C594.0 (10)C116—C115—C120—C1190.6 (9)
Si3—C55—C60—C59179.0 (6)Si7—C115—C120—C119177.5 (5)
C58—C59—C60—C55−3.0 (12)C118—C119—C120—C115−0.1 (10)
O3—Si4—C31—C32−6.4 (5)O7—Si8—C91—C96−55.1 (5)
C37—Si4—C31—C32112.6 (5)C97—Si8—C91—C9666.3 (5)
C43—Si4—C31—C32−124.7 (5)C103—Si8—C91—C96−173.0 (4)
O3—Si4—C31—C36168.4 (5)O7—Si8—C91—C92125.6 (5)
C37—Si4—C31—C36−72.5 (5)C97—Si8—C91—C92−113.1 (5)
C43—Si4—C31—C3650.1 (5)C103—Si8—C91—C927.6 (6)
C36—C31—C32—C33−0.1 (9)C96—C91—C92—C93−3.8 (9)
Si4—C31—C32—C33174.9 (5)Si8—C91—C92—C93175.5 (5)
C31—C32—C33—C34−0.8 (10)C91—C92—C93—C94−1.4 (11)
C32—C33—C34—C351.9 (10)C92—C93—C94—C955.4 (11)
C33—C34—C35—C36−2.2 (10)C93—C94—C95—C96−4.0 (10)
C34—C35—C36—C311.3 (11)C94—C95—C96—C91−1.4 (9)
C32—C31—C36—C35−0.2 (9)C92—C91—C96—C955.2 (8)
Si4—C31—C36—C35−175.3 (5)Si8—C91—C96—C95−174.1 (4)
O3—Si4—C37—C428.2 (5)O7—Si8—C97—C98−51.2 (4)
C31—Si4—C37—C42−110.0 (4)C91—Si8—C97—C98−172.4 (3)
C43—Si4—C37—C42128.6 (4)C103—Si8—C97—C9865.9 (4)
O3—Si4—C37—C38−170.8 (4)O7—Si8—C97—C102129.6 (4)
C31—Si4—C37—C3871.0 (5)C91—Si8—C97—C1028.4 (5)
C43—Si4—C37—C38−50.4 (5)C103—Si8—C97—C102−113.3 (4)
C42—C37—C38—C393.9 (8)C102—C97—C98—C990.7 (7)
Si4—C37—C38—C39−177.0 (5)Si8—C97—C98—C99−178.6 (3)
C37—C38—C39—C40−1.8 (9)C97—C98—C99—C100−0.4 (7)
C38—C39—C40—C41−0.7 (10)C98—C99—C100—C101−0.4 (7)
C39—C40—C41—C420.8 (9)C99—C100—C101—C1020.9 (7)
C40—C41—C42—C371.5 (8)C100—C101—C102—C97−0.6 (8)
C38—C37—C42—C41−3.8 (8)C98—C97—C102—C101−0.1 (7)
Si4—C37—C42—C41177.2 (4)Si8—C97—C102—C101179.1 (4)
O3—Si4—C43—C44−80.0 (5)O7—Si8—C103—C108−19.1 (5)
C31—Si4—C43—C4436.0 (6)C91—Si8—C103—C108100.9 (5)
C37—Si4—C43—C44160.9 (5)C97—Si8—C103—C108−138.5 (5)
O3—Si4—C43—C4897.7 (5)O7—Si8—C103—C104158.6 (4)
C31—Si4—C43—C48−146.3 (5)C91—Si8—C103—C104−81.4 (5)
C37—Si4—C43—C48−21.4 (6)C97—Si8—C103—C10439.2 (5)
C48—C43—C44—C45−1.9 (10)C108—C103—C104—C105−1.4 (8)
Si4—C43—C44—C45175.9 (6)Si8—C103—C104—C105−179.2 (4)
C43—C44—C45—C461.3 (13)C103—C104—C105—C1062.4 (8)
C44—C45—C46—C471.4 (14)C104—C105—C106—C107−2.5 (9)
C45—C46—C47—C48−3.3 (13)C105—C106—C107—C1081.5 (9)
C44—C43—C48—C470.0 (10)C106—C107—C108—C103−0.5 (9)
Si4—C43—C48—C47−177.8 (5)C104—C103—C108—C1070.4 (8)
C46—C47—C48—C432.7 (12)Si8—C103—C108—C107178.2 (4)

Hydrogen-bond geometry (Å, °)

D—H···AD—HH···AD···AD—H···A
O6—H6A···O20.842.032.785 (5)149
O8—H8A···O4i0.841.942.735 (5)158
O2—H2···Cg(C67-C72)0.842.663.355 (5)142
O4—H4A···Cg(C97-C102)0.842.613.249 (5)134

Symmetry codes: (i) −x, −y+1, −z.

Footnotes

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: TK2229).

References

  • Brandenburg, K. (2006). DIAMOND Version 3.1e. Crystal Impact GbR, Bonn, Germany.
  • Bruker (2001). SHELXTL Version 6.12. Bruker AXS Inc., Madison, Wisconsin, USA.
  • Bruker (2005). SAINT-Plus Version 7.23a. Bruker AXS Inc., Madison, Wisconsin, USA.
  • Bruker (2006). APEX2 Version 2.1-RC13. Bruker AXS, Delft, The Netherlands.
  • Coelho, A. C., Amarante, T. R., Klinowski, J., Gonçalves, I. S. & Paz, F. A. A. (2008). Acta Cryst. E64, o237–o238. [PMC free article] [PubMed]
  • Glidewell, C. & Liles, D. C. (1978). Acta Cryst. B34, 124–128.
  • Hönle, W., Manríquez, V. & von Schnering, H. G. (1990). Acta Cryst. C46, 1982–1984.
  • Morosin, B. & Harrah, L. A. (1981). Acta Cryst. B37, 579–586.
  • Sheldrick, G. M. (1998). SADABS Version 2.01. Bruker AXS Inc., Madison, Wisconsin, USA.
  • Suwińska, K., Palenik, G. J. & Gerdil, R. (1986). Acta Cryst. C42, 615–620.
  • Wojnowski, D. W., Becker, B., Peters, K., Peters, E.-M. & von Schnering, H. G. (2004). Z. Anorg. Allg. Chem.563, 48–52.

Articles from Acta Crystallographica Section E: Structure Reports Online are provided here courtesy of International Union of Crystallography