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Acta Crystallogr Sect E Struct Rep Online. 2008 January 1; 64(Pt 1): m134.
Published online 2007 December 6. doi:  10.1107/S1600536807065130
PMCID: PMC2915082

[1,2-Bis(diisopropyl­phosphino)-1,2-dicarba-closo-dodeca­borane-κ2 P,P′]dichloridomercury(II)

Abstract

In the title complex, [HgCl2(C14H38B10P2)], the HgII atom is in a distorted HgCl2P2 tetra­hedral coordination environment. The chelation of the Hg atom by two P atoms and two C atoms from the carborane skeleton results in a nearly planar five-membered ring.

Related literature

For related structures see: Mariyatra et al. (2005 [triangle]); Liu et al. (2004 [triangle]); Paavola, Kivekäs et al. (2002 [triangle]), Paavola, Teixidor et al. (2002a [triangle],b [triangle]). For the synthesis and structure of the ligand, see: Kivekäs et al. (1995 [triangle]).

An external file that holds a picture, illustration, etc.
Object name is e-64-0m134-scheme1.jpg

Experimental

Crystal data

  • [HgCl2(C14H38B10P2)]
  • M r = 647.97
  • Tetragonal, An external file that holds a picture, illustration, etc.
Object name is e-64-0m134-efi1.jpg
  • a = 21.110 (3) Å
  • c = 24.585 (6) Å
  • V = 10956 (3) Å3
  • Z = 16
  • Mo Kα radiation
  • μ = 5.93 mm−1
  • T = 298 (2) K
  • 0.53 × 0.49 × 0.47 mm

Data collection

  • Bruker SMART CCD diffractometer
  • Absorption correction: multi-scan (SADABS; Bruker, 2001 [triangle]) T min = 0.145, T max = 0.167 (expected range = 0.053–0.062)
  • 22446 measured reflections
  • 4815 independent reflections
  • 3491 reflections with I > 2σ(I)
  • R int = 0.081

Refinement

  • R[F 2 > 2σ(F 2)] = 0.038
  • wR(F 2) = 0.077
  • S = 1.00
  • 4815 reflections
  • 270 parameters
  • 290 restraints
  • H-atom parameters constrained
  • Δρmax = 1.37 e Å−3
  • Δρmin = −1.23 e Å−3

Data collection: SMART (Bruker, 2001 [triangle]); cell refinement: SAINT (Bruker, 2001 [triangle]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997 [triangle]); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997 [triangle]); molecular graphics: SHELXTL (Bruker, 2001 [triangle]); software used to prepare material for publication: SHELXTL.

Table 1
Selected bond lengths (Å)

Supplementary Material

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536807065130/hb2648sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536807065130/hb2648Isup2.hkl

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

Acknowledgments

This work was supported by the National Natural Science Foundation of China (Project No. 20371025), the Open Research Fund Program of the Key Laboratory of Marine Drugs (Ocean University of China), the Ministry of Education [Project No. KLMD (OUC) 2004] and the Postgraduate Foundation of Taishan University (No. Yo6-2-10).

supplementary crystallographic information

Comment

The synthesis and structure of 1,2-(PiPr2)2-1,2-C2B10H10 was reported by Kivekäs et al. (1995). Since then, only a few complexes containing this ligand have been described, containing Pt(II) and Pd(II) (Paavola et al. (2002,2002a,b). We now report the structure of this ligand combined with HgII and chloride ions as the title compound, (I).

As shown in Fig. 1, The HgII atom in (I) is in a distorted HgCl2P2 tetrahedral coordination environment (Table 1). The Hg—P distances in (I) are longer than those of 2.3991Å in [Ph3PHgCl(µ-Cl)2ClHgPPh3] (Mariyatra et al., 2005). The Hg—Cl distances in (I) are also longer than the corresponding distance of 2.4015 (8)Å for in the Mariyatra et al. (2005) phase. The Cl—Hg—Cl angle in (I) of 104.81 (6) Å, is slight bigger than that of 101.19 (4)° in [(HgCl2)2((C6H11)3P)2] (Liu et al., 2004).

The chelation of the mercury(II) atom in (I) with phosphorus atoms and carbon atoms form a nearly planar five-membered ring with a maximum deviation of 0.033Å for C2. The torsion angle P1—C1—C2—P2 in (I) is 5.8 (6)°, which is smaller than that of 12.1 (2)° in the free ligand (Kivekas et al., 1995).

Experimental

The title compound was synthesizd by the reaction of 1 mmol HgCl2 and 1 mmol 1,2-(PiPr2)2-1,2-C2B10H10 in 10 ml dichloromethane under the protection of N2. The mixture was refluxed for 4 h, then a colourless solution formed, and colourless blocks of (I) were obtained from a dichloromethane/n-hexane solution (61.7%, m.p. 405–406 K). FTIR (KBr) \v (cm-l): 2990, 2968, 2932, 2875 (C—H); 2615, 2603, 2586, 2558 (B—H); 1072 (C—P).

Refinement

All H atoms were placed geometrically (B—H = 1.10 Å, C—H = 0.96–0.98 Å) and refined as riding with Uiso(H) = 1.2Ueq(B) or 1.5Ueq(C).

Figures

Fig. 1.
The molecular structure of (I), with 30% probability displacement ellipsoids (H atoms omitted for clarity).

Crystal data

[HgCl2(C14H38B10P2)]Z = 16
Mr = 647.97F000 = 5056
Tetragonal, I41/aDx = 1.571 Mg m3
Hall symbol: -I 4adMo Kα radiation λ = 0.71073 Å
a = 21.110 (3) ÅCell parameters from 5681 reflections
b = 21.110 (3) Åθ = 2.3–25.3º
c = 24.585 (6) ŵ = 5.93 mm1
α = 90ºT = 298 (2) K
β = 90ºBlock, colorless
γ = 90º0.53 × 0.49 × 0.47 mm
V = 10956 (3) Å3

Data collection

Bruker SMART CCD diffractometer4815 independent reflections
Radiation source: fine-focus sealed tube3491 reflections with I > 2σ(I)
Monochromator: graphiteRint = 0.081
T = 298(2) Kθmax = 25.0º
ω scansθmin = 1.9º
Absorption correction: multi-scan(SADABS; Bruker, 2001)h = −25→23
Tmin = 0.145, Tmax = 0.167k = −17→25
22446 measured reflectionsl = −29→27

Refinement

Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.038H-atom parameters constrained
wR(F2) = 0.077  w = 1/[σ2(Fo2) + (0.031P)2] where P = (Fo2 + 2Fc2)/3
S = 1.00(Δ/σ)max = 0.002
4815 reflectionsΔρmax = 1.37 e Å3
270 parametersΔρmin = −1.23 e Å3
290 restraintsExtinction correction: none
Primary atom site location: structure-invariant direct methods

Special details

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
P10.88138 (6)0.58515 (7)0.21383 (4)0.0258 (3)
Hg10.906748 (11)0.554286 (12)0.117243 (8)0.03997 (11)
P21.02256 (7)0.53987 (8)0.13960 (5)0.0344 (4)
Cl10.87446 (8)0.63978 (9)0.05593 (7)0.0653 (5)
Cl20.85996 (8)0.45816 (8)0.07802 (7)0.0598 (5)
B31.0185 (3)0.6349 (3)0.2328 (2)0.0303 (16)
H31.01150.67280.20280.036*
B40.9818 (3)0.6364 (4)0.2987 (2)0.0391 (19)
H40.95190.67610.31220.047*
B50.9646 (3)0.5571 (3)0.3155 (2)0.0401 (19)
H50.92320.54470.34060.048*
B60.9896 (3)0.5093 (3)0.2589 (2)0.0319 (16)
H60.96380.46670.24570.038*
B71.0743 (3)0.5145 (4)0.2565 (3)0.0413 (19)
H71.10440.47500.24300.050*
B81.0922 (3)0.5945 (3)0.2405 (3)0.0379 (18)
H81.13410.60740.21640.046*
B91.0649 (3)0.6428 (4)0.2937 (3)0.046 (2)
H91.08940.68720.30410.056*
B101.0309 (3)0.5941 (4)0.3432 (3)0.050 (2)
H101.03340.60650.38660.060*
B111.0350 (3)0.5142 (4)0.3206 (3)0.047 (2)
H111.03930.47380.34860.057*
B121.0978 (3)0.5680 (4)0.3086 (3)0.050 (2)
H121.14360.56290.32940.060*
C10.9610 (2)0.5824 (3)0.24933 (18)0.0280 (12)
C21.0262 (2)0.5577 (3)0.21524 (19)0.0301 (12)
C30.8303 (3)0.5299 (3)0.2536 (2)0.0326 (13)
H3A0.85880.49750.26830.039*
C40.7960 (3)0.5584 (3)0.3027 (2)0.0508 (17)
H4A0.76460.58800.29030.076*
H4B0.82600.57990.32550.076*
H4C0.77580.52520.32300.076*
C50.7850 (3)0.4955 (3)0.2166 (2)0.0515 (18)
H5A0.76460.46200.23640.077*
H5B0.80790.47780.18640.077*
H5C0.75370.52460.20340.077*
C60.8465 (3)0.6652 (3)0.2224 (2)0.0380 (14)
H6A0.84170.67410.26130.046*
C70.8844 (3)0.7185 (3)0.1962 (3)0.0577 (18)
H7A0.89590.70660.15980.087*
H7B0.92200.72630.21710.087*
H7C0.85900.75630.19510.087*
C80.7808 (3)0.6633 (3)0.1959 (3)0.0584 (18)
H8A0.76060.70370.20010.088*
H8B0.75560.63120.21310.088*
H8C0.78510.65370.15790.088*
C91.0537 (3)0.4602 (3)0.1261 (3)0.0523 (16)
H9A1.09810.45800.13750.063*
C101.0167 (4)0.4082 (3)0.1536 (3)0.078 (2)
H10A0.97220.41730.15110.116*
H10B1.02880.40570.19120.116*
H10C1.02550.36860.13600.116*
C111.0495 (4)0.4506 (4)0.0638 (3)0.085 (2)
H11A1.06160.40800.05490.128*
H11B1.07740.47980.04590.128*
H11C1.00680.45800.05190.128*
C121.0783 (3)0.5968 (3)0.1081 (2)0.0502 (16)
H12A1.07930.63330.13260.060*
C131.1470 (3)0.5732 (4)0.1045 (3)0.069 (2)
H13A1.15090.54370.07500.104*
H13B1.15840.55270.13800.104*
H13C1.17480.60860.09830.104*
C141.0553 (4)0.6221 (4)0.0543 (3)0.093 (3)
H14A1.08660.65010.03930.140*
H14B1.01640.64480.05960.140*
H14C1.04830.58750.02970.140*

Atomic displacement parameters (Å2)

U11U22U33U12U13U23
P10.0229 (8)0.0301 (9)0.0245 (7)−0.0001 (7)−0.0025 (6)−0.0018 (6)
Hg10.03668 (17)0.05346 (19)0.02979 (13)0.00074 (13)−0.00920 (11)−0.00648 (11)
P20.0269 (9)0.0513 (10)0.0249 (7)0.0046 (8)−0.0005 (7)−0.0113 (7)
Cl10.0625 (12)0.0856 (14)0.0479 (9)0.0170 (11)−0.0108 (9)0.0162 (10)
Cl20.0628 (12)0.0618 (12)0.0547 (10)−0.0097 (10)−0.0096 (9)−0.0179 (9)
B30.030 (4)0.032 (4)0.030 (3)−0.008 (3)−0.001 (3)−0.006 (3)
B40.037 (4)0.052 (5)0.029 (3)0.002 (4)0.000 (3)−0.018 (3)
B50.035 (4)0.062 (5)0.023 (3)−0.005 (4)0.002 (3)0.009 (3)
B60.026 (4)0.033 (4)0.036 (3)0.001 (3)0.002 (3)0.011 (3)
B70.029 (4)0.056 (5)0.038 (4)0.006 (4)−0.007 (3)0.009 (4)
B80.022 (4)0.060 (5)0.032 (3)−0.008 (4)−0.001 (3)−0.005 (4)
B90.033 (4)0.061 (6)0.045 (4)−0.005 (4)−0.008 (4)−0.020 (4)
B100.036 (5)0.093 (7)0.020 (3)0.003 (5)−0.011 (3)−0.012 (4)
B110.033 (4)0.075 (6)0.034 (4)0.006 (4)−0.004 (3)0.028 (4)
B120.031 (4)0.089 (7)0.031 (4)0.003 (5)−0.008 (3)−0.008 (4)
C10.023 (3)0.038 (3)0.023 (2)−0.001 (2)0.001 (2)−0.002 (2)
C20.026 (3)0.037 (3)0.027 (2)0.004 (2)0.002 (2)−0.003 (2)
C30.027 (3)0.040 (3)0.030 (3)−0.008 (3)0.001 (2)−0.002 (2)
C40.038 (4)0.068 (4)0.046 (3)−0.004 (3)0.009 (3)−0.001 (3)
C50.041 (4)0.066 (4)0.047 (3)−0.018 (4)0.003 (3)−0.005 (3)
C60.033 (3)0.045 (3)0.037 (3)0.005 (3)−0.003 (3)−0.004 (3)
C70.063 (4)0.039 (4)0.071 (4)0.007 (4)−0.009 (4)−0.002 (3)
C80.047 (4)0.064 (4)0.064 (4)0.017 (4)−0.011 (3)0.002 (4)
C90.042 (3)0.060 (4)0.055 (3)0.010 (3)−0.004 (3)−0.021 (3)
C100.083 (5)0.054 (5)0.096 (5)0.018 (4)−0.004 (5)−0.028 (4)
C110.073 (5)0.109 (5)0.075 (4)0.014 (4)0.001 (4)−0.052 (4)
C120.038 (3)0.073 (4)0.039 (3)−0.003 (3)0.006 (3)0.000 (3)
C130.041 (4)0.105 (5)0.062 (4)−0.007 (4)0.016 (3)−0.015 (4)
C140.081 (5)0.142 (7)0.057 (4)−0.012 (5)0.005 (4)0.029 (5)

Geometric parameters (Å, °)

P1—C61.856 (6)B10—B121.739 (10)
P1—C31.865 (5)B10—B111.778 (11)
P1—C11.896 (5)B10—H101.1000
Hg1—Cl12.4482 (17)B11—B121.769 (10)
Hg1—Cl22.4542 (17)B11—H111.1000
Hg1—P12.5200 (10)B12—H121.1000
Hg1—P22.5242 (16)C1—C21.694 (6)
P2—C91.836 (7)C3—C51.507 (7)
P2—C121.851 (6)C3—C41.531 (7)
P2—C21.899 (5)C3—H3A0.9800
B3—C11.691 (8)C4—H4A0.9600
B3—C21.693 (8)C4—H4B0.9600
B3—B81.783 (9)C4—H4C0.9600
B3—B41.795 (8)C5—H5A0.9600
B3—B91.798 (9)C5—H5B0.9600
B3—H31.1000C5—H5C0.9600
B4—C11.722 (8)C6—C71.523 (8)
B4—B101.752 (10)C6—C81.532 (7)
B4—B51.763 (10)C6—H6A0.9800
B4—B91.764 (10)C7—H7A0.9600
B4—H41.1000C7—H7B0.9600
B5—C11.713 (7)C7—H7C0.9600
B5—B101.743 (10)C8—H8A0.9600
B5—B111.745 (10)C8—H8B0.9600
B5—B61.797 (9)C8—H8C0.9600
B5—H51.1000C9—C101.507 (9)
B6—C21.673 (8)C9—C111.548 (9)
B6—C11.674 (8)C9—H9A0.9800
B6—B71.793 (9)C10—H10A0.9600
B6—B111.797 (9)C10—H10B0.9600
B6—H61.1000C10—H10C0.9600
B7—C21.701 (8)C11—H11A0.9600
B7—B81.775 (10)C11—H11B0.9600
B7—B121.778 (10)C11—H11C0.9600
B7—B111.781 (9)C12—C141.507 (8)
B7—H71.1000C12—C131.537 (8)
B8—C21.711 (8)C12—H12A0.9800
B8—B91.756 (9)C13—H13A0.9600
B8—B121.770 (9)C13—H13B0.9600
B8—H81.1000C13—H13C0.9600
B9—B101.748 (11)C14—H14A0.9600
B9—B121.765 (11)C14—H14B0.9600
B9—H91.1000C14—H14C0.9600
C6—P1—C3106.3 (3)B9—B10—H10121.1
C6—P1—C1109.1 (2)B4—B10—H10120.9
C3—P1—C1104.6 (2)B11—B10—H10121.8
C6—P1—Hg1115.26 (18)B5—B11—B12107.1 (5)
C3—P1—Hg1117.07 (17)B5—B11—B1059.3 (4)
C1—P1—Hg1103.73 (13)B12—B11—B1058.7 (4)
Cl1—Hg1—Cl2104.81 (6)B5—B11—B7109.3 (5)
Cl1—Hg1—P1109.29 (6)B12—B11—B760.1 (4)
Cl2—Hg1—P1119.90 (5)B10—B11—B7107.3 (5)
Cl1—Hg1—P2119.51 (6)B5—B11—B660.9 (4)
Cl2—Hg1—P2112.06 (6)B12—B11—B6107.3 (4)
P1—Hg1—P291.82 (4)B10—B11—B6107.0 (5)
C9—P2—C12107.0 (3)B7—B11—B660.1 (4)
C9—P2—C2110.2 (3)B5—B11—H11121.2
C12—P2—C2104.8 (3)B12—B11—H11122.6
C9—P2—Hg1114.7 (2)B10—B11—H11123.0
C12—P2—Hg1116.5 (2)B7—B11—H11121.1
C2—P2—Hg1103.19 (15)B6—B11—H11121.8
C1—B3—C260.0 (3)B10—B12—B959.8 (4)
C1—B3—B8106.7 (5)B10—B12—B1160.9 (4)
C2—B3—B858.9 (4)B9—B12—B11108.3 (5)
C1—B3—B459.1 (3)B10—B12—B8107.9 (5)
C2—B3—B4106.8 (5)B9—B12—B859.6 (4)
B8—B3—B4106.8 (5)B11—B12—B8108.1 (5)
C1—B3—B9104.6 (5)B10—B12—B7109.1 (5)
C2—B3—B9104.5 (5)B9—B12—B7108.0 (5)
B8—B3—B958.7 (4)B11—B12—B760.3 (4)
B4—B3—B958.8 (4)B8—B12—B760.0 (4)
C1—B3—H3122.8B10—B12—H12121.2
C2—B3—H3122.9B9—B12—H12122.0
B8—B3—H3122.5B11—B12—H12121.3
B4—B3—H3122.3B8—B12—H12122.0
B9—B3—H3124.4B7—B12—H12121.3
C1—B4—B10104.7 (5)B6—C1—B3112.3 (4)
C1—B4—B558.9 (3)B6—C1—C259.6 (3)
B10—B4—B559.4 (4)B3—C1—C260.0 (3)
C1—B4—B9104.8 (4)B6—C1—B564.1 (4)
B10—B4—B959.6 (4)B3—C1—B5113.7 (4)
B5—B4—B9107.1 (5)C2—C1—B5109.8 (4)
C1—B4—B357.5 (3)B6—C1—B4114.8 (4)
B10—B4—B3107.4 (5)B3—C1—B463.5 (4)
B5—B4—B3106.4 (5)C2—C1—B4110.2 (4)
B9—B4—B360.7 (4)B5—C1—B461.8 (4)
C1—B4—H4124.8B6—C1—P1114.3 (4)
B10—B4—H4122.6B3—C1—P1120.3 (4)
B5—B4—H4122.3C2—C1—P1120.1 (3)
B9—B4—H4122.2B5—C1—P1119.0 (3)
B3—B4—H4122.2B4—C1—P1122.0 (3)
C1—B5—B10105.4 (5)B6—C2—C159.6 (3)
C1—B5—B11105.5 (4)B6—C2—B3112.3 (4)
B10—B5—B1161.3 (4)C1—C2—B360.0 (3)
C1—B5—B459.4 (3)B6—C2—B764.2 (4)
B10—B5—B460.0 (4)C1—C2—B7110.8 (4)
B11—B5—B4109.5 (5)B3—C2—B7114.9 (5)
C1—B5—B656.9 (3)B6—C2—B8114.9 (4)
B10—B5—B6108.6 (5)C1—C2—B8110.0 (4)
B11—B5—B661.0 (4)B3—C2—B863.2 (4)
B4—B5—B6107.0 (4)B7—C2—B862.7 (4)
C1—B5—H5124.9B6—C2—P2119.3 (4)
B10—B5—H5121.6C1—C2—P2120.9 (3)
B11—B5—H5120.9B3—C2—P2115.9 (4)
B4—B5—H5121.4B7—C2—P2120.1 (3)
B6—B5—H5122.3B8—C2—P2118.6 (3)
C2—B6—C160.8 (3)C5—C3—C4111.4 (5)
C2—B6—B758.7 (3)C5—C3—P1110.6 (4)
C1—B6—B7107.3 (5)C4—C3—P1116.1 (4)
C2—B6—B5106.8 (5)C5—C3—H3A106.0
C1—B6—B559.0 (3)C4—C3—H3A106.0
B7—B6—B5106.5 (5)P1—C3—H3A106.0
C2—B6—B11105.0 (5)C3—C4—H4A109.5
C1—B6—B11104.9 (5)C3—C4—H4B109.5
B7—B6—B1159.5 (4)H4A—C4—H4B109.5
B5—B6—B1158.1 (4)C3—C4—H4C109.5
C2—B6—H6122.6H4A—C4—H4C109.5
C1—B6—H6122.3H4B—C4—H4C109.5
B7—B6—H6122.3C3—C5—H5A109.5
B5—B6—H6122.8C3—C5—H5B109.5
B11—B6—H6124.1H5A—C5—H5B109.5
C2—B7—B858.9 (4)C3—C5—H5C109.5
C2—B7—B12104.8 (5)H5A—C5—H5C109.5
B8—B7—B1259.8 (4)H5B—C5—H5C109.5
C2—B7—B11104.6 (5)C7—C6—C8108.3 (5)
B8—B7—B11107.3 (5)C7—C6—P1114.6 (4)
B12—B7—B1159.6 (4)C8—C6—P1106.7 (4)
C2—B7—B657.1 (3)C7—C6—H6A109.0
B8—B7—B6106.1 (5)C8—C6—H6A109.0
B12—B7—B6107.1 (5)P1—C6—H6A109.0
B11—B7—B660.4 (4)C6—C7—H7A109.5
C2—B7—H7124.8C6—C7—H7B109.5
B8—B7—H7122.1H7A—C7—H7B109.5
B12—B7—H7122.5C6—C7—H7C109.5
B11—B7—H7122.3H7A—C7—H7C109.5
B6—B7—H7122.7H7B—C7—H7C109.5
C2—B8—B9105.5 (5)C6—C8—H8A109.5
C2—B8—B12104.7 (5)C6—C8—H8B109.5
B9—B8—B1260.1 (4)H8A—C8—H8B109.5
C2—B8—B758.4 (3)C6—C8—H8C109.5
B9—B8—B7108.5 (5)H8A—C8—H8C109.5
B12—B8—B760.2 (4)H8B—C8—H8C109.5
C2—B8—B357.9 (3)C10—C9—C11108.6 (6)
B9—B8—B361.1 (4)C10—C9—P2113.6 (5)
B12—B8—B3108.1 (5)C11—C9—P2106.2 (5)
B7—B8—B3107.0 (5)C10—C9—H9A109.4
C2—B8—H8124.9C11—C9—H9A109.4
B9—B8—H8121.4P2—C9—H9A109.4
B12—B8—H8122.3C9—C10—H10A109.5
B7—B8—H8121.7C9—C10—H10B109.5
B3—B8—H8121.8H10A—C10—H10B109.5
B10—B9—B8108.2 (6)C9—C10—H10C109.5
B10—B9—B459.9 (4)H10A—C10—H10C109.5
B8—B9—B4109.4 (5)H10B—C10—H10C109.5
B10—B9—B1259.4 (4)C9—C11—H11A109.5
B8—B9—B1260.4 (4)C9—C11—H11B109.5
B4—B9—B12108.0 (6)H11A—C11—H11B109.5
B10—B9—B3107.5 (5)C9—C11—H11C109.5
B8—B9—B360.2 (4)H11A—C11—H11C109.5
B4—B9—B360.5 (3)H11B—C11—H11C109.5
B12—B9—B3107.7 (5)C14—C12—C13111.6 (5)
B10—B9—H9122.2C14—C12—P2113.2 (5)
B8—B9—H9120.9C13—C12—P2114.5 (5)
B4—B9—H9121.1C14—C12—H12A105.6
B12—B9—H9122.1C13—C12—H12A105.6
B3—B9—H9121.9P2—C12—H12A105.6
B12—B10—B5108.6 (5)C12—C13—H13A109.5
B12—B10—B960.8 (4)C12—C13—H13B109.5
B5—B10—B9108.7 (5)H13A—C13—H13B109.5
B12—B10—B4109.6 (5)C12—C13—H13C109.5
B5—B10—B460.6 (4)H13A—C13—H13C109.5
B9—B10—B460.5 (4)H13B—C13—H13C109.5
B12—B10—B1160.4 (4)C12—C14—H14A109.5
B5—B10—B1159.4 (4)C12—C14—H14B109.5
B9—B10—B11108.7 (5)H14A—C14—H14B109.5
B4—B10—B11108.5 (5)C12—C14—H14C109.5
B12—B10—H10120.8H14A—C14—H14C109.5
B5—B10—H10121.6H14B—C14—H14C109.5

Footnotes

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HB2648).

References

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