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Acta Crystallogr Sect E Struct Rep Online. 2010 April 1; 66(Pt 4): m453–m454.
Published online 2010 March 27. doi:  10.1107/S1600536810010263
PMCID: PMC2984049

Di-μ-chlorido-bis­{[μ-1,8-bis­(diisopropyl­phosphan­yl)-9,10-dihydro-9,10-ethano­anthracene-κ2 P:P′]-μ-chlorido-μ-methyl­idene-dipalladium(II)} tetra­hydro­furan penta­solvate

Abstract

The title compound, [Pd4(CH2)2Cl4(C28H40P2)2]·5C4H8O, possesses a tetra­nuclear palladium core with four bridging chlorido ligands and two bridging methyl­ene units, as well as two bridging anthracene-based bis-phosphine ligands. This tetra­nuclear complex can be considered as being composed of two μ-chlorido-bridged LPd2 units. The structural motif of these LPd2 units shows two doubly bridged palladium centers between the P atoms of the bis-phosphine ligand. One of these bridges is a μ-Cl atom, the other a μ-methyl­ene group. The coordination environment around each palladium center is essentially square planar. We ascribe the oxidation state +II to the palladium centers and do not assume Pd—Pd bonds [shortest distances 2.8110 (5) and 2.8109 (6) Å]. Co-crystallized with the palladium complex we found five non-coordinating tetra­hydro­furan solvent mol­ecules, one of which is disordered over two positions in a 0.429 (9):0.571 (8) ratio.

Related literature

For the synthesis of the Pd(0) precursor, see: Schnetz et al. (2008 [triangle]). The structural motif of a doubly brigded dinuclear Pd(II) complex with anthraceno-based bis-phosphines was reported by Warth (1999 [triangle]) and Grossman et al. (2006 [triangle]). Related palladium structures with a bridging μ2-methyl­ene group were reported by Brownie et al. (2003 [triangle]) and Klopfenstein et al. (1996 [triangle]). For a recent example of a tetra­nuclear Pd platform with bridging μ2-methyl­ene units, see: Sachse et al. (2010 [triangle]).

An external file that holds a picture, illustration, etc.
Object name is e-66-0m453-scheme1.jpg

Experimental

Crystal data

  • [Pd4(CH2)2Cl4(C28H40P2)2]·5C4H8O
  • M r = 1833.05
  • Triclinic, An external file that holds a picture, illustration, etc.
Object name is e-66-0m453-efi1.jpg
  • a = 12.5799 (1) Å
  • b = 17.2830 (3) Å
  • c = 19.7558 (2) Å
  • α = 79.877 (1)°
  • β = 74.703 (1)°
  • γ = 80.717 (1)°
  • V = 4048.61 (9) Å3
  • Z = 2
  • Mo Kα radiation
  • μ = 1.13 mm−1
  • T = 200 K
  • 0.18 × 0.18 × 0.06 mm

Data collection

  • Bruker SMART CCD diffractometer
  • Absorption correction: multi-scan (SADABS; Sheldrick, 2008a [triangle]) T min = 0.822, T max = 0.935
  • 36611 measured reflections
  • 15292 independent reflections
  • 9483 reflections with I > 2σ(I)
  • R int = 0.056

Refinement

  • R[F 2 > 2σ(F 2)] = 0.047
  • wR(F 2) = 0.106
  • S = 1.01
  • 15292 reflections
  • 915 parameters
  • 434 restraints
  • H atoms treated by a mixture of independent and constrained refinement
  • Δρmax = 0.82 e Å−3
  • Δρmin = −0.73 e Å−3

Data collection: SMART (Siemens, 1996 [triangle]); cell refinement: SAINT (Siemens, 1996 [triangle]); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008b [triangle]); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Supplementary Material

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536810010263/hg2653sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810010263/hg2653Isup2.hkl

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

supplementary crystallographic information

Comment

The tetranuclear complex can be considered as composed of two LPd2 units, bridged by two µ-chloro units. The structural motif of these LPd2 units with two twofold bridged metal centers between the phosphorus atoms of the chelating ligand is known in our group (Warth, 1999) and others (Grossman et al., 2006). The anthraceno-based bis-phosphine ligand family shows a remarkable flexibility with respect to the P—P distances. Distances from 3.7 Å to 5.9 Å were found in the course of our investigations (5.607 (2) and 5.638 (2) in the title compound). This results in an excellent stabilization of different coordination numbers (2-6), geometries (trigonal-planar, cis- and trans-square planar, e,a- and e,e-trigonal-bipyramidal, octahedral) as well as dinuclear species. The coordination environment around each palladium center is essentially square planar, and we do not assume a Pd—Pd bond (Pd—Pd distance 2.8110 (5) Å resp. 2.8109 (6) Å). Structures with a bridging methylene group between palladium centers are very rare (Brownie et al., 2003; Klopfenstein et al., 1996; Sachse et al., 2010). The palladium-carbon distances in the title compound (Pd—C 2.004 (5) Å to 2.017 (5) Å) are in good agreement with the values previously found, the Pd—C—Pd angles however (Pd—C—Pd 88.4 (2)° and 88.7 (2)°) are controlled by the otherwise determined Pd—Pd distance. In the hitherto known cases the angles spread over a wide range from 84.8 (2)° (Brownie et al., 2003) to 109.4 (5)° (Sachse et al., 2010).

Experimental

In a reaction of [1,8-Bis(di-iso-propylphosphino)-9,10-dihydro-9,10-ethanoanthracene- κ2P,P']palladium(0) with an excess of n-Propylchloride in d8-THF at room temperature colourless crystals of the title compound could be obtained in small quantities under an inert argon atmosphere.

Refinement

Five THF solvent molecules were located in the asymmetric unit, one of them had to be modelled disordered over two different orientations (occupancies 0.429 (8) : 571 (8)). All the solvent positions were refined using restraints keeping chemically equivalent bonds and angles similar, within one molecule as well as among the molecules. Rigid bond restraints and similarity restraints for spatially adjacent atoms were applied to the Uij values of the solvent atoms. While the oxygen atoms of the four ordered THF molecules could be clearly identified, the assignments for the disordered THF molecule are not without ambiguity.

Hydrogen atoms of the phosphine ligands and the THF molecules were placed in calculated positions (C–H 0.95– 1.00 Å) and were included in the refinement in the riding model approximation with Uiso(H) set to 1.2–1.5 Ueq(C). A staggered group model was used for the methyl groups. The hydrogen atoms of the bridging methylene groups could be clearly identified in the difference electron density map and were treated in the refinement using restraints for similar C–H distances and a common displacement parameter.

Figures

Fig. 1.
Thermal ellipsoid representation of the title compound. Displacement ellipsoids were plotted at 50% probability level.

Crystal data

[Pd4(CH2)2Cl4(C28H40P2)2]·5C4H8OV = 4048.61 (9) Å3
Mr = 1833.05Z = 2
Triclinic, P1F(000) = 1888
Hall symbol: -P 1Dx = 1.504 Mg m3
a = 12.5799 (1) ÅMo Kα radiation, λ = 0.71073 Å
b = 17.2830 (3) ÅCell parameters from 5889 reflections
c = 19.7558 (2) ŵ = 1.13 mm1
α = 79.877 (1)°T = 200 K
β = 74.703 (1)°Polyhedron, colourless
γ = 80.717 (1)°0.18 × 0.18 × 0.06 mm

Data collection

Bruker SMART CCD diffractometer15292 independent reflections
Radiation source: fine-focus sealed tube9483 reflections with I > 2σ(I)
graphiteRint = 0.056
ω scansθmax = 25.7°, θmin = 1.7°
Absorption correction: multi-scan (SADABS; Sheldrick, 2008a)h = −15→15
Tmin = 0.822, Tmax = 0.935k = −21→21
36611 measured reflectionsl = −24→24

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)] = 0.047Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.106H atoms treated by a mixture of independent and constrained refinement
S = 1.01w = 1/[σ2(Fo2) + (0.0417P)2 + 0.8053P] where P = (Fo2 + 2Fc2)/3
15292 reflections(Δ/σ)max = 0.001
915 parametersΔρmax = 0.82 e Å3
434 restraintsΔρmin = −0.73 e Å3

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds 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*/UeqOcc. (<1)
Pd10.47930 (3)0.21727 (2)0.34085 (2)0.02319 (11)
Pd20.24625 (3)0.22887 (3)0.38000 (2)0.02516 (11)
Pd30.47029 (3)0.30751 (2)0.14456 (2)0.02341 (11)
Pd40.23706 (3)0.32848 (3)0.18531 (2)0.02701 (12)
Cl10.36596 (11)0.16459 (9)0.28118 (7)0.0361 (4)
Cl20.35972 (11)0.38581 (9)0.23512 (8)0.0430 (4)
Cl30.59914 (10)0.25954 (9)0.22297 (7)0.0339 (4)
Cl40.11979 (11)0.29472 (11)0.30539 (7)0.0504 (5)
C130.3675 (4)0.1783 (3)0.4288 (3)0.0288 (13)
H13A0.373 (4)0.1221 (15)0.430 (2)0.020 (6)*
H13B0.368 (4)0.190 (3)0.4733 (16)0.020 (6)*
C140.3510 (4)0.3541 (3)0.0940 (3)0.0251 (13)
H14A0.344 (4)0.332 (2)0.0546 (18)0.020 (6)*
H14B0.357 (4)0.4093 (15)0.085 (2)0.020 (6)*
P10.59170 (11)0.24153 (8)0.40365 (7)0.0233 (3)
P20.12809 (11)0.25216 (8)0.48211 (7)0.0234 (3)
P30.58086 (11)0.25881 (8)0.04890 (7)0.0220 (3)
P40.11326 (11)0.30836 (9)0.12971 (7)0.0258 (3)
C10.5481 (4)0.2807 (3)0.4894 (3)0.0237 (12)
C20.6275 (4)0.2669 (3)0.5296 (3)0.0298 (13)
H20.69150.23010.51630.036*
C30.6167 (5)0.3044 (4)0.5876 (3)0.0357 (15)
H30.67240.29280.61360.043*
C40.5254 (4)0.3586 (3)0.6083 (3)0.0284 (13)
H40.51920.38690.64650.034*
C50.1723 (5)0.3546 (3)0.6725 (3)0.0369 (15)
H50.17140.38180.71050.044*
C60.0989 (4)0.2990 (4)0.6812 (3)0.0359 (15)
H60.05150.28470.72640.043*
C70.0959 (4)0.2652 (3)0.6240 (3)0.0319 (14)
H70.04370.22890.63040.038*
C80.1666 (4)0.2818 (3)0.5564 (3)0.0241 (12)
C90.3453 (4)0.3529 (3)0.4850 (3)0.0210 (12)
H90.34910.32410.44460.025*
C100.3352 (4)0.4230 (3)0.5926 (3)0.0294 (13)
H100.33210.44800.63510.035*
C110.3217 (5)0.4861 (3)0.5282 (3)0.0371 (15)
H11A0.24860.51860.53950.045*
H11B0.38030.52150.51690.045*
C120.3306 (4)0.4437 (3)0.4638 (3)0.0308 (13)
H12A0.26270.45990.44600.037*
H12B0.39480.45950.42520.037*
C170.4513 (4)0.3315 (3)0.5133 (3)0.0217 (12)
C180.4433 (4)0.3705 (3)0.5715 (3)0.0274 (13)
C190.2483 (4)0.3315 (3)0.5492 (3)0.0230 (12)
C200.2466 (4)0.3694 (3)0.6072 (3)0.0275 (13)
C210.6853 (4)0.3135 (3)0.3499 (3)0.0307 (14)
H210.71420.29580.30220.037*
C220.6176 (5)0.3940 (3)0.3385 (3)0.0430 (16)
H22A0.55310.38790.32170.064*
H22B0.66380.42990.30310.064*
H22C0.59220.41610.38330.064*
C230.7874 (5)0.3200 (4)0.3761 (3)0.0456 (17)
H23A0.82860.26730.38350.068*
H23B0.76360.34210.42090.068*
H23C0.83530.35470.34070.068*
C250.6822 (4)0.1773 (3)0.0762 (3)0.0274 (13)
H250.71170.19680.11160.033*
C260.6233 (5)0.1063 (3)0.1158 (3)0.0389 (15)
H26A0.55990.12350.15320.058*
H26B0.67510.06710.13700.058*
H26C0.59700.08240.08270.058*
C270.7842 (4)0.1526 (4)0.0180 (3)0.0414 (16)
H27A0.82080.1993−0.00620.062*
H27B0.76060.1288−0.01630.062*
H27C0.83630.11400.03950.062*
C310.6835 (4)0.1482 (3)0.4194 (3)0.0321 (14)
H310.73970.15940.44290.038*
C320.6169 (5)0.0855 (3)0.4689 (3)0.0501 (18)
H32A0.57950.10540.51380.075*
H32B0.66700.03730.47800.075*
H32C0.56130.07350.44690.075*
C330.7457 (5)0.1193 (4)0.3483 (3)0.0468 (17)
H33A0.78850.16070.31810.070*
H33B0.69200.10770.32460.070*
H33C0.79620.07130.35710.070*
C350.6651 (5)0.3376 (3)−0.0035 (3)0.0330 (14)
H350.72420.3138−0.04150.040*
C360.5920 (5)0.4037 (3)−0.0393 (3)0.0535 (18)
H36A0.55800.3813−0.06950.080*
H36B0.63790.4440−0.06830.080*
H36C0.53370.4281−0.00290.080*
C370.7210 (5)0.3691 (4)0.0435 (3)0.056 (2)
H37A0.76640.32550.06540.084*
H37B0.66430.39370.08060.084*
H37C0.76840.40870.01490.084*
C410.0125 (4)0.3310 (3)0.4693 (3)0.0301 (13)
H41−0.01660.31770.43090.036*
C420.0557 (5)0.4103 (3)0.4422 (3)0.0423 (16)
H42A0.11800.40540.40070.063*
H42B0.08070.42760.47950.063*
H42C−0.00370.44940.42910.063*
C43−0.0856 (5)0.3370 (4)0.5334 (3)0.0494 (18)
H43A−0.11260.28520.54980.074*
H43B−0.14520.37580.52020.074*
H43C−0.06210.35380.57150.074*
C450.0110 (4)0.2437 (3)0.1876 (3)0.0341 (14)
H45−0.01660.26550.23360.041*
C460.0685 (5)0.1603 (4)0.2042 (3)0.0510 (18)
H46A0.13360.16330.22160.077*
H46B0.09200.13500.16110.077*
H46C0.01680.12910.24050.077*
C47−0.0916 (5)0.2408 (4)0.1605 (3)0.0503 (18)
H47A−0.12790.29470.15060.075*
H47B−0.14350.20940.19650.075*
H47C−0.06890.21630.11690.075*
C510.0572 (4)0.1624 (3)0.5190 (3)0.0297 (13)
H51−0.00460.17480.56070.036*
C520.1377 (5)0.0938 (3)0.5439 (3)0.0471 (17)
H52A0.16820.10940.57960.071*
H52B0.19830.08040.50340.071*
H52C0.09810.04750.56470.071*
C530.0074 (5)0.1400 (4)0.4633 (3)0.0445 (16)
H53A−0.04420.18460.44840.067*
H53B−0.03250.09380.48360.067*
H53C0.06700.12720.42210.067*
C550.0288 (4)0.4056 (3)0.1131 (3)0.0326 (14)
H55−0.03220.39680.09260.039*
C560.0986 (5)0.4633 (3)0.0601 (3)0.0433 (16)
H56A0.13100.44070.01590.065*
H56B0.15820.47360.07950.065*
H56C0.05190.51310.05040.065*
C57−0.0237 (5)0.4382 (4)0.1828 (3)0.0507 (18)
H57A−0.06880.39980.21570.076*
H57B−0.07090.48800.17400.076*
H57C0.03480.44780.20350.076*
C610.5362 (4)0.2169 (3)−0.0176 (3)0.0208 (12)
C620.6145 (5)0.2129 (3)−0.0826 (3)0.0335 (14)
H620.67780.2402−0.09220.040*
C630.6036 (5)0.1707 (3)−0.1339 (3)0.0371 (15)
H630.65820.1697−0.17750.045*
C640.5121 (4)0.1301 (3)−0.1204 (3)0.0316 (14)
H640.50440.0994−0.15390.038*
C650.1548 (5)0.1827 (4)−0.0661 (3)0.0404 (16)
H650.15520.1531−0.10240.049*
C660.0753 (5)0.2472 (4)−0.0516 (3)0.0433 (16)
H660.02370.2641−0.08030.052*
C670.0705 (4)0.2866 (3)0.0037 (3)0.0318 (14)
H670.01360.32930.01360.038*
C680.1480 (4)0.2657 (3)0.0465 (3)0.0247 (12)
C690.3374 (4)0.1758 (3)0.0579 (3)0.0239 (12)
H690.34180.20770.09450.029*
C700.3274 (5)0.0963 (3)−0.0395 (3)0.0360 (15)
H700.32280.0681−0.07840.043*
C710.3235 (5)0.0396 (3)0.0305 (3)0.0395 (15)
H71A0.3852−0.00390.02350.047*
H71B0.25270.01630.04560.047*
C720.3337 (5)0.0862 (3)0.0879 (3)0.0335 (14)
H72A0.40230.06460.10390.040*
H72B0.26960.08000.12930.040*
C770.4402 (4)0.1786 (3)−0.0054 (3)0.0240 (12)
C780.4326 (4)0.1349 (3)−0.0579 (3)0.0255 (12)
C790.2347 (4)0.2052 (3)0.0281 (3)0.0252 (13)
C800.2345 (4)0.1623 (3)−0.0263 (3)0.0326 (14)
O800.1835 (5)0.6705 (3)0.1947 (3)0.0915 (19)
C810.2354 (8)0.6670 (5)0.2510 (5)0.095 (3)
H81A0.19240.70420.28400.114*
H81B0.31120.68240.23190.114*
C820.2408 (6)0.5849 (4)0.2891 (4)0.075 (2)
H82A0.22850.58450.34080.090*
H82B0.31300.55370.27120.090*
C830.1470 (6)0.5538 (4)0.2719 (4)0.066 (2)
H83A0.16130.49570.27210.080*
H83B0.07540.56690.30590.080*
C840.1476 (7)0.5960 (4)0.1998 (4)0.078 (3)
H84A0.19840.56530.16380.094*
H84B0.07210.60290.19160.094*
O850.2286 (6)−0.1162 (4)0.3862 (3)0.132 (3)
C860.2504 (10)−0.1239 (5)0.3145 (4)0.121 (4)
H86A0.1959−0.15450.30640.146*
H86B0.3258−0.15190.29850.146*
C870.2416 (8)−0.0422 (5)0.2748 (4)0.089 (3)
H87A0.3159−0.02470.25360.106*
H87B0.2025−0.03920.23680.106*
C880.1768 (7)0.0059 (4)0.3300 (4)0.080 (2)
H88A0.19430.06120.31860.096*
H88B0.09600.00570.33690.096*
C890.2148 (8)−0.0357 (5)0.3923 (4)0.096 (3)
H89A0.2859−0.01870.39320.116*
H89B0.1591−0.02460.43650.116*
O900.0116 (9)−0.1175 (5)0.2291 (6)0.174 (4)
C910.0593 (9)−0.1076 (9)0.1565 (6)0.184 (8)
H91A0.0489−0.15350.13620.220*
H91B0.1401−0.10610.14840.220*
C920.0106 (9)−0.0350 (7)0.1205 (5)0.120 (4)
H92A−0.0069−0.04450.07680.144*
H92B0.06060.00680.10820.144*
C93−0.0921 (7)−0.0134 (5)0.1748 (5)0.089 (3)
H93A−0.10550.04440.17560.107*
H93B−0.1575−0.03070.16530.107*
C94−0.0704 (8)−0.0555 (8)0.2414 (5)0.135 (4)
H94A−0.0475−0.01870.26650.162*
H94B−0.1391−0.07560.27200.162*
O950.7300 (10)0.5637 (7)0.2061 (7)0.079 (4)0.429 (8)
C960.680 (2)0.6400 (9)0.1905 (16)0.090 (6)0.429 (8)
H96A0.73560.67260.15790.107*0.429 (8)
H96B0.65030.66440.23450.107*0.429 (8)
C970.591 (2)0.6369 (12)0.1573 (17)0.112 (6)0.429 (8)
H97A0.58890.68040.11760.134*0.429 (8)
H97B0.51780.64000.19210.134*0.429 (8)
C980.620 (2)0.5577 (13)0.1312 (16)0.102 (7)0.429 (8)
H98A0.55440.52790.14600.122*0.429 (8)
H98B0.64450.56450.07890.122*0.429 (8)
C990.7080 (17)0.5161 (9)0.1624 (11)0.071 (5)0.429 (8)
H99A0.68560.46540.19050.085*0.429 (8)
H99B0.77540.50420.12480.085*0.429 (8)
O95B0.5847 (12)0.5705 (7)0.2323 (5)0.133 (5)0.571 (8)
C96B0.612 (2)0.6465 (9)0.2023 (8)0.102 (6)0.571 (8)
H96C0.65510.66550.23000.123*0.571 (8)
H96D0.54370.68400.20170.123*0.571 (8)
C97B0.678 (2)0.6408 (10)0.1300 (8)0.114 (6)0.571 (8)
H97C0.75310.65580.12370.137*0.571 (8)
H97D0.64180.67580.09520.137*0.571 (8)
C98B0.6847 (17)0.5567 (10)0.1210 (9)0.107 (6)0.571 (8)
H98C0.67320.55200.07430.129*0.571 (8)
H98D0.75750.52740.12550.129*0.571 (8)
C99B0.5943 (15)0.5271 (9)0.1789 (8)0.090 (5)0.571 (8)
H99C0.52420.53480.16330.108*0.571 (8)
H99D0.61260.47000.19470.108*0.571 (8)
O1000.6310 (6)−0.0810 (3)0.2290 (3)0.094 (2)
C1010.6399 (8)−0.1579 (4)0.2635 (4)0.091 (3)
H10A0.7157−0.18480.24670.109*
H10B0.5864−0.18790.25350.109*
C1020.6167 (7)−0.1553 (5)0.3389 (4)0.089 (3)
H10C0.6824−0.17880.35740.107*
H10D0.5536−0.18500.36470.107*
C1030.5893 (10)−0.0716 (5)0.3481 (4)0.130 (4)
H10E0.5153−0.06240.38080.156*
H10F0.6451−0.05440.36750.156*
C1040.5895 (8)−0.0291 (4)0.2784 (4)0.089 (3)
H10G0.5131−0.00580.27620.107*
H10H0.63630.01450.26800.107*

Atomic displacement parameters (Å2)

U11U22U33U12U13U23
Pd10.0153 (2)0.0337 (3)0.0231 (2)−0.00019 (18)−0.00609 (18)−0.01090 (19)
Pd20.0153 (2)0.0391 (3)0.0236 (2)−0.00203 (19)−0.00592 (18)−0.0102 (2)
Pd30.0175 (2)0.0314 (3)0.0243 (2)−0.00120 (18)−0.00655 (18)−0.01135 (19)
Pd40.0174 (2)0.0401 (3)0.0253 (3)0.00263 (19)−0.00767 (19)−0.0111 (2)
Cl10.0238 (7)0.0553 (10)0.0362 (9)−0.0054 (7)−0.0060 (6)−0.0261 (7)
Cl20.0267 (8)0.0601 (11)0.0519 (10)0.0057 (7)−0.0123 (7)−0.0394 (8)
Cl30.0186 (7)0.0640 (10)0.0220 (8)−0.0036 (7)−0.0059 (6)−0.0136 (7)
Cl40.0196 (8)0.1063 (14)0.0236 (8)0.0052 (8)−0.0084 (6)−0.0112 (9)
C130.022 (3)0.035 (3)0.030 (3)−0.003 (3)−0.007 (3)−0.006 (3)
C140.023 (3)0.024 (3)0.031 (3)−0.002 (2)−0.008 (3)−0.009 (3)
P10.0143 (7)0.0337 (9)0.0235 (8)−0.0005 (6)−0.0064 (6)−0.0081 (6)
P20.0138 (7)0.0324 (9)0.0249 (8)0.0005 (6)−0.0062 (6)−0.0067 (6)
P30.0185 (7)0.0271 (8)0.0217 (8)−0.0038 (6)−0.0051 (6)−0.0060 (6)
P40.0188 (7)0.0350 (9)0.0242 (8)−0.0015 (6)−0.0081 (6)−0.0026 (7)
C10.024 (3)0.028 (3)0.021 (3)−0.007 (2)−0.008 (2)−0.004 (2)
C20.022 (3)0.043 (4)0.024 (3)0.003 (3)−0.008 (2)−0.006 (3)
C30.026 (3)0.059 (4)0.025 (3)−0.011 (3)−0.008 (3)−0.006 (3)
C40.027 (3)0.043 (4)0.020 (3)−0.010 (3)−0.006 (2)−0.012 (3)
C50.030 (3)0.050 (4)0.029 (4)0.006 (3)−0.002 (3)−0.017 (3)
C60.025 (3)0.058 (4)0.020 (3)−0.004 (3)0.004 (2)−0.006 (3)
C70.024 (3)0.047 (4)0.026 (3)−0.008 (3)−0.006 (3)−0.005 (3)
C80.016 (3)0.032 (3)0.023 (3)0.004 (2)−0.005 (2)−0.006 (2)
C90.014 (3)0.030 (3)0.020 (3)0.000 (2)−0.006 (2)−0.005 (2)
C100.031 (3)0.028 (3)0.034 (3)0.002 (3)−0.011 (3)−0.015 (3)
C110.043 (4)0.031 (3)0.040 (4)−0.005 (3)−0.011 (3)−0.010 (3)
C120.030 (3)0.031 (3)0.028 (3)0.000 (3)−0.008 (3)0.001 (3)
C170.016 (3)0.029 (3)0.020 (3)−0.004 (2)−0.005 (2)−0.001 (2)
C180.028 (3)0.031 (3)0.023 (3)−0.011 (3)−0.004 (2)0.000 (2)
C190.020 (3)0.025 (3)0.023 (3)0.007 (2)−0.009 (2)−0.003 (2)
C200.021 (3)0.030 (3)0.032 (3)0.005 (2)−0.009 (3)−0.010 (3)
C210.024 (3)0.052 (4)0.019 (3)−0.014 (3)−0.003 (2)−0.006 (3)
C220.048 (4)0.048 (4)0.037 (4)−0.021 (3)−0.009 (3)−0.006 (3)
C230.032 (4)0.080 (5)0.032 (4)−0.022 (3)−0.005 (3)−0.014 (3)
C250.021 (3)0.036 (3)0.028 (3)0.000 (2)−0.007 (2)−0.010 (3)
C260.038 (4)0.036 (4)0.043 (4)0.008 (3)−0.016 (3)−0.007 (3)
C270.024 (3)0.060 (4)0.040 (4)0.010 (3)−0.008 (3)−0.019 (3)
C310.025 (3)0.038 (4)0.037 (4)0.008 (3)−0.015 (3)−0.012 (3)
C320.049 (4)0.037 (4)0.056 (5)0.014 (3)−0.015 (4)−0.003 (3)
C330.042 (4)0.053 (4)0.043 (4)0.022 (3)−0.013 (3)−0.021 (3)
C350.033 (3)0.037 (4)0.029 (3)−0.013 (3)−0.001 (3)−0.007 (3)
C360.054 (4)0.036 (4)0.060 (5)−0.010 (3)−0.003 (4)0.008 (3)
C370.054 (4)0.075 (5)0.048 (4)−0.045 (4)−0.002 (3)−0.015 (4)
C410.026 (3)0.038 (4)0.027 (3)0.002 (3)−0.010 (3)−0.008 (3)
C420.038 (4)0.035 (4)0.056 (4)0.004 (3)−0.023 (3)−0.005 (3)
C430.031 (4)0.076 (5)0.037 (4)0.022 (3)−0.012 (3)−0.018 (3)
C450.022 (3)0.050 (4)0.028 (3)−0.008 (3)−0.004 (3)0.001 (3)
C460.036 (4)0.054 (4)0.053 (4)−0.016 (3)0.001 (3)0.012 (3)
C470.026 (3)0.081 (5)0.045 (4)−0.019 (3)−0.008 (3)0.000 (4)
C510.020 (3)0.035 (3)0.030 (3)−0.005 (2)0.001 (2)−0.004 (3)
C520.045 (4)0.032 (4)0.063 (5)−0.008 (3)−0.016 (3)0.003 (3)
C530.043 (4)0.043 (4)0.057 (4)−0.013 (3)−0.023 (3)−0.010 (3)
C550.028 (3)0.036 (4)0.037 (4)0.003 (3)−0.018 (3)−0.002 (3)
C560.048 (4)0.034 (4)0.050 (4)−0.003 (3)−0.022 (3)0.004 (3)
C570.053 (4)0.049 (4)0.048 (4)0.014 (3)−0.015 (3)−0.016 (3)
C610.018 (3)0.023 (3)0.021 (3)0.001 (2)−0.006 (2)−0.004 (2)
C620.031 (3)0.041 (4)0.028 (3)−0.011 (3)−0.003 (3)−0.005 (3)
C630.035 (4)0.052 (4)0.023 (3)−0.002 (3)−0.002 (3)−0.012 (3)
C640.034 (3)0.034 (3)0.030 (3)0.005 (3)−0.011 (3)−0.017 (3)
C650.043 (4)0.050 (4)0.040 (4)−0.010 (3)−0.020 (3)−0.019 (3)
C660.031 (4)0.063 (5)0.043 (4)−0.005 (3)−0.020 (3)−0.010 (3)
C670.020 (3)0.048 (4)0.028 (3)0.000 (3)−0.009 (3)−0.007 (3)
C680.021 (3)0.029 (3)0.026 (3)−0.006 (2)−0.009 (2)−0.003 (2)
C690.023 (3)0.022 (3)0.030 (3)−0.005 (2)−0.011 (2)−0.004 (2)
C700.040 (4)0.036 (4)0.040 (4)−0.004 (3)−0.018 (3)−0.016 (3)
C710.035 (4)0.029 (3)0.056 (4)−0.011 (3)−0.007 (3)−0.009 (3)
C720.033 (3)0.030 (3)0.038 (4)−0.008 (3)−0.012 (3)0.001 (3)
C770.026 (3)0.018 (3)0.028 (3)0.002 (2)−0.012 (2)0.000 (2)
C780.026 (3)0.030 (3)0.024 (3)−0.001 (2)−0.011 (3)−0.009 (2)
C790.023 (3)0.034 (3)0.023 (3)−0.012 (3)−0.007 (2)−0.004 (2)
C800.029 (3)0.034 (3)0.040 (4)−0.011 (3)−0.013 (3)−0.004 (3)
O800.132 (5)0.070 (4)0.068 (4)−0.040 (4)−0.005 (4)−0.001 (3)
C810.107 (8)0.091 (8)0.086 (7)−0.048 (6)−0.003 (6)−0.005 (6)
C820.078 (6)0.053 (5)0.083 (6)−0.003 (4)0.003 (5)−0.025 (5)
C830.055 (5)0.045 (5)0.078 (6)−0.002 (4)0.016 (4)−0.006 (4)
C840.087 (6)0.076 (6)0.066 (6)−0.035 (5)0.020 (5)−0.030 (5)
O850.192 (8)0.086 (5)0.080 (5)0.053 (5)−0.016 (5)0.000 (4)
C860.216 (13)0.072 (7)0.062 (6)0.029 (7)−0.023 (7)−0.030 (5)
C870.125 (8)0.086 (7)0.050 (5)0.005 (6)−0.023 (5)−0.010 (5)
C880.088 (7)0.067 (6)0.091 (7)−0.003 (5)−0.042 (6)−0.008 (5)
C890.124 (9)0.084 (7)0.081 (7)0.006 (6)−0.035 (6)−0.016 (6)
O900.161 (9)0.121 (7)0.222 (11)−0.004 (6)−0.038 (8)−0.003 (7)
C910.090 (9)0.36 (2)0.109 (10)0.087 (11)−0.025 (8)−0.158 (13)
C920.101 (9)0.169 (12)0.092 (8)−0.061 (8)0.008 (7)−0.032 (8)
C930.072 (7)0.078 (6)0.125 (9)−0.013 (5)−0.036 (7)−0.012 (6)
C940.070 (8)0.192 (14)0.117 (10)0.002 (8)0.009 (7)−0.018 (10)
O950.079 (9)0.079 (8)0.098 (10)0.016 (7)−0.055 (8)−0.037 (7)
C960.117 (15)0.074 (9)0.090 (15)−0.010 (10)−0.058 (12)0.003 (10)
C970.142 (14)0.099 (11)0.117 (14)0.035 (11)−0.096 (11)−0.023 (11)
C980.110 (16)0.103 (13)0.114 (16)0.025 (12)−0.081 (12)−0.026 (12)
C990.093 (12)0.077 (10)0.052 (11)0.005 (9)−0.049 (9)−0.004 (8)
O95B0.203 (14)0.092 (8)0.075 (7)−0.028 (8)0.022 (8)−0.010 (6)
C96B0.162 (16)0.072 (8)0.075 (10)−0.012 (10)−0.027 (11)−0.021 (7)
C97B0.142 (14)0.100 (10)0.090 (11)−0.063 (11)0.010 (10)0.001 (9)
C98B0.124 (14)0.107 (10)0.079 (10)0.020 (11)−0.007 (9)−0.037 (9)
C99B0.137 (13)0.071 (9)0.082 (10)−0.040 (9)−0.062 (9)0.017 (7)
O1000.168 (6)0.062 (4)0.072 (4)−0.023 (4)−0.059 (4)−0.006 (3)
C1010.140 (9)0.049 (6)0.091 (7)0.003 (5)−0.048 (6)−0.015 (5)
C1020.105 (7)0.086 (7)0.071 (7)−0.033 (6)−0.020 (5)0.024 (5)
C1030.232 (14)0.077 (7)0.057 (7)−0.033 (8)0.010 (7)−0.004 (5)
C1040.128 (8)0.053 (5)0.086 (7)0.011 (5)−0.037 (6)−0.011 (5)

Geometric parameters (Å, °)

Pd1—C132.014 (6)C52—H52B0.9800
Pd1—P12.2393 (13)C52—H52C0.9800
Pd1—Cl12.4360 (13)C53—H53A0.9800
Pd1—Cl32.4767 (14)C53—H53B0.9800
Pd1—Pd22.8110 (5)C53—H53C0.9800
Pd2—C132.017 (5)C55—C561.515 (7)
Pd2—P22.2251 (14)C55—C571.524 (7)
Pd2—Cl12.4465 (14)C55—H551.0000
Pd2—Cl42.4621 (14)C56—H56A0.9800
Pd3—C142.004 (5)C56—H56B0.9800
Pd3—P32.2380 (14)C56—H56C0.9800
Pd3—Cl22.4284 (14)C57—H57A0.9800
Pd3—Cl32.4807 (13)C57—H57B0.9800
Pd3—Pd42.8109 (6)C57—H57C0.9800
Pd4—C142.016 (5)C61—C621.402 (7)
Pd4—P42.2281 (14)C61—C771.416 (7)
Pd4—Cl22.4429 (14)C62—C631.394 (7)
Pd4—Cl42.4676 (15)C62—H620.9500
C13—H13A0.96 (2)C63—C641.386 (7)
C13—H13B0.94 (2)C63—H630.9500
C14—H14A0.95 (2)C64—C781.374 (7)
C14—H14B0.95 (2)C64—H640.9500
P1—C211.847 (5)C65—C661.387 (8)
P1—C11.850 (5)C65—C801.397 (7)
P1—C311.856 (5)C65—H650.9500
P2—C81.836 (5)C66—C671.370 (7)
P2—C511.854 (5)C66—H660.9500
P2—C411.862 (5)C67—C681.418 (7)
P3—C251.848 (5)C67—H670.9500
P3—C611.850 (5)C68—C791.405 (7)
P3—C351.854 (5)C69—C791.536 (7)
P4—C681.838 (5)C69—C771.544 (7)
P4—C451.857 (5)C69—C721.562 (7)
P4—C551.864 (5)C69—H691.0000
C1—C21.400 (7)C70—C801.500 (8)
C1—C171.406 (7)C70—C781.508 (7)
C2—C31.381 (7)C70—C711.541 (8)
C2—H20.9500C70—H701.0000
C3—C41.379 (7)C71—C721.544 (7)
C3—H30.9500C71—H71A0.9900
C4—C181.382 (7)C71—H71B0.9900
C4—H40.9500C72—H72A0.9900
C5—C201.389 (7)C72—H72B0.9900
C5—C61.396 (8)C77—C781.416 (7)
C5—H50.9500C79—C801.408 (7)
C6—C71.372 (7)O80—C841.410 (7)
C6—H60.9500O80—C811.419 (8)
C7—C81.407 (7)C81—C821.485 (8)
C7—H70.9500C81—H81A0.9900
C8—C191.407 (7)C81—H81B0.9900
C9—C171.545 (6)C82—C831.509 (8)
C9—C121.545 (7)C82—H82A0.9900
C9—C191.549 (7)C82—H82B0.9900
C9—H91.0000C83—C841.481 (8)
C10—C201.501 (7)C83—H83A0.9900
C10—C181.510 (7)C83—H83B0.9900
C10—C111.550 (7)C84—H84A0.9900
C10—H101.0000C84—H84B0.9900
C11—C121.546 (7)O85—C861.396 (8)
C11—H11A0.9900O85—C891.398 (8)
C11—H11B0.9900C86—C871.493 (9)
C12—H12A0.9900C86—H86A0.9900
C12—H12B0.9900C86—H86B0.9900
C17—C181.406 (7)C87—C881.476 (8)
C19—C201.409 (7)C87—H87A0.9900
C21—C221.524 (8)C87—H87B0.9900
C21—C231.531 (7)C88—C891.466 (8)
C21—H211.0000C88—H88A0.9900
C22—H22A0.9800C88—H88B0.9900
C22—H22B0.9800C89—H89A0.9900
C22—H22C0.9800C89—H89B0.9900
C23—H23A0.9800O90—C941.368 (9)
C23—H23B0.9800O90—C911.392 (10)
C23—H23C0.9800C91—C921.459 (11)
C25—C261.524 (7)C91—H91A0.9900
C25—C271.539 (7)C91—H91B0.9900
C25—H251.0000C92—C931.488 (9)
C26—H26A0.9800C92—H92A0.9900
C26—H26B0.9800C92—H92B0.9900
C26—H26C0.9800C93—C941.458 (10)
C27—H27A0.9800C93—H93A0.9900
C27—H27B0.9800C93—H93B0.9900
C27—H27C0.9800C94—H94A0.9900
C31—C321.523 (8)C94—H94B0.9900
C31—C331.541 (7)O95—C961.386 (12)
C31—H311.0000O95—C991.395 (12)
C32—H32A0.9800C96—C971.457 (13)
C32—H32B0.9800C96—H96A0.9900
C32—H32C0.9800C96—H96B0.9900
C33—H33A0.9800C97—C981.503 (14)
C33—H33B0.9800C97—H97A0.9900
C33—H33C0.9800C97—H97B0.9900
C35—C371.517 (7)C98—C991.442 (13)
C35—C361.540 (8)C98—H98A0.9900
C35—H351.0000C98—H98B0.9900
C36—H36A0.9800C99—H99A0.9900
C36—H36B0.9800C99—H99B0.9900
C36—H36C0.9800O95B—C99B1.369 (11)
C37—H37A0.9800O95B—C96B1.400 (12)
C37—H37B0.9800C96B—C97B1.462 (13)
C37—H37C0.9800C96B—H96C0.9900
C41—C421.513 (7)C96B—H96D0.9900
C41—C431.523 (7)C97B—C98B1.481 (13)
C41—H411.0000C97B—H97C0.9900
C42—H42A0.9800C97B—H97D0.9900
C42—H42B0.9800C98B—C99B1.469 (13)
C42—H42C0.9800C98B—H98C0.9900
C43—H43A0.9800C98B—H98D0.9900
C43—H43B0.9800C99B—H99C0.9900
C43—H43C0.9800C99B—H99D0.9900
C45—C461.526 (8)O100—C1011.385 (7)
C45—C471.533 (7)O100—C1041.386 (7)
C45—H451.0000C101—C1021.449 (8)
C46—H46A0.9800C101—H10A0.9900
C46—H46B0.9800C101—H10B0.9900
C46—H46C0.9800C102—C1031.463 (9)
C47—H47A0.9800C102—H10C0.9900
C47—H47B0.9800C102—H10D0.9900
C47—H47C0.9800C103—C1041.441 (8)
C51—C531.532 (7)C103—H10E0.9900
C51—C521.532 (7)C103—H10F0.9900
C51—H511.0000C104—H10G0.9900
C52—H52A0.9800C104—H10H0.9900
C13—Pd1—P192.48 (16)H47B—C47—H47C109.5
C13—Pd1—Cl183.25 (16)C53—C51—C52110.9 (5)
P1—Pd1—Cl1169.09 (5)C53—C51—P2109.8 (4)
C13—Pd1—Cl3171.59 (16)C52—C51—P2110.7 (4)
P1—Pd1—Cl395.90 (5)C53—C51—H51108.4
Cl1—Pd1—Cl388.39 (5)C52—C51—H51108.4
C13—Pd1—Pd245.84 (15)P2—C51—H51108.4
P1—Pd1—Pd2127.42 (4)C51—C52—H52A109.5
Cl1—Pd1—Pd255.02 (3)C51—C52—H52B109.5
Cl3—Pd1—Pd2127.57 (3)H52A—C52—H52B109.5
C13—Pd2—P292.22 (16)C51—C52—H52C109.5
C13—Pd2—Cl182.90 (16)H52A—C52—H52C109.5
P2—Pd2—Cl1163.70 (6)H52B—C52—H52C109.5
C13—Pd2—Cl4171.82 (16)C51—C53—H53A109.5
P2—Pd2—Cl495.20 (5)C51—C53—H53B109.5
Cl1—Pd2—Cl490.85 (5)H53A—C53—H53B109.5
C13—Pd2—Pd145.73 (16)C51—C53—H53C109.5
P2—Pd2—Pd1130.03 (4)H53A—C53—H53C109.5
Cl1—Pd2—Pd154.67 (3)H53B—C53—H53C109.5
Cl4—Pd2—Pd1126.13 (4)C56—C55—C57111.5 (5)
C14—Pd3—P392.96 (16)C56—C55—P4110.9 (4)
C14—Pd3—Cl283.43 (15)C57—C55—P4109.9 (4)
P3—Pd3—Cl2168.52 (6)C56—C55—H55108.2
C14—Pd3—Cl3171.08 (16)C57—C55—H55108.2
P3—Pd3—Cl395.94 (5)P4—C55—H55108.2
Cl2—Pd3—Cl387.73 (5)C55—C56—H56A109.5
C14—Pd3—Pd445.81 (15)C55—C56—H56B109.5
P3—Pd3—Pd4128.42 (4)H56A—C56—H56B109.5
Cl2—Pd3—Pd455.00 (3)C55—C56—H56C109.5
Cl3—Pd3—Pd4126.99 (3)H56A—C56—H56C109.5
C14—Pd4—P493.15 (15)H56B—C56—H56C109.5
C14—Pd4—Cl282.81 (15)C55—C57—H57A109.5
P4—Pd4—Cl2165.38 (6)C55—C57—H57B109.5
C14—Pd4—Cl4171.78 (15)H57A—C57—H57B109.5
P4—Pd4—Cl494.75 (5)C55—C57—H57C109.5
Cl2—Pd4—Cl490.06 (5)H57A—C57—H57C109.5
C14—Pd4—Pd345.46 (15)H57B—C57—H57C109.5
P4—Pd4—Pd3130.09 (4)C62—C61—C77117.8 (5)
Cl2—Pd4—Pd354.52 (3)C62—C61—P3115.2 (4)
Cl4—Pd4—Pd3126.60 (4)C77—C61—P3126.2 (4)
Pd1—Cl1—Pd270.30 (4)C63—C62—C61122.9 (5)
Pd3—Cl2—Pd470.48 (4)C63—C62—H62118.5
Pd1—Cl3—Pd3105.30 (5)C61—C62—H62118.5
Pd2—Cl4—Pd4106.56 (5)C64—C63—C62119.0 (5)
Pd1—C13—Pd288.4 (2)C64—C63—H63120.5
Pd1—C13—H13A106 (3)C62—C63—H63120.5
Pd2—C13—H13A108 (3)C78—C64—C63119.1 (5)
Pd1—C13—H13B121 (3)C78—C64—H64120.4
Pd2—C13—H13B121 (3)C63—C64—H64120.4
H13A—C13—H13B110 (4)C66—C65—C80118.6 (5)
Pd3—C14—Pd488.7 (2)C66—C65—H65120.7
Pd3—C14—H14A120 (3)C80—C65—H65120.7
Pd4—C14—H14A116 (3)C67—C66—C65120.6 (5)
Pd3—C14—H14B105 (3)C67—C66—H66119.7
Pd4—C14—H14B110 (3)C65—C66—H66119.7
H14A—C14—H14B114 (4)C66—C67—C68122.0 (5)
C21—P1—C1101.1 (2)C66—C67—H67119.0
C21—P1—C31105.4 (3)C68—C67—H67119.0
C1—P1—C31105.2 (2)C79—C68—C67117.6 (5)
C21—P1—Pd1110.04 (17)C79—C68—P4124.9 (4)
C1—P1—Pd1126.30 (17)C67—C68—P4116.7 (4)
C31—P1—Pd1107.06 (18)C79—C69—C77107.3 (4)
C8—P2—C51106.0 (2)C79—C69—C72107.9 (4)
C8—P2—C41101.1 (2)C77—C69—C72105.3 (4)
C51—P2—C41103.6 (2)C79—C69—H69112.0
C8—P2—Pd2124.66 (17)C77—C69—H69112.0
C51—P2—Pd2107.31 (18)C72—C69—H69112.0
C41—P2—Pd2112.23 (17)C80—C70—C78105.5 (4)
C25—P3—C61101.7 (2)C80—C70—C71108.2 (5)
C25—P3—C35105.2 (2)C78—C70—C71108.1 (4)
C61—P3—C35104.6 (2)C80—C70—H70111.6
C25—P3—Pd3109.80 (17)C78—C70—H70111.6
C61—P3—Pd3126.43 (16)C71—C70—H70111.6
C35—P3—Pd3107.38 (18)C70—C71—C72109.1 (4)
C68—P4—C45101.5 (2)C70—C71—H71A109.9
C68—P4—C55105.9 (2)C72—C71—H71A109.9
C45—P4—C55104.2 (3)C70—C71—H71B109.9
C68—P4—Pd4124.74 (17)C72—C71—H71B109.9
C45—P4—Pd4111.81 (18)H71A—C71—H71B108.3
C55—P4—Pd4106.91 (18)C71—C72—C69110.3 (4)
C2—C1—C17117.0 (5)C71—C72—H72A109.6
C2—C1—P1115.6 (4)C69—C72—H72A109.6
C17—C1—P1126.8 (4)C71—C72—H72B109.6
C3—C2—C1122.7 (5)C69—C72—H72B109.6
C3—C2—H2118.6H72A—C72—H72B108.1
C1—C2—H2118.6C78—C77—C61117.8 (5)
C4—C3—C2120.5 (5)C78—C77—C69111.9 (4)
C4—C3—H3119.8C61—C77—C69130.3 (4)
C2—C3—H3119.8C64—C78—C77123.1 (5)
C3—C4—C18117.9 (5)C64—C78—C70123.4 (5)
C3—C4—H4121.1C77—C78—C70113.4 (5)
C18—C4—H4121.1C68—C79—C80119.4 (5)
C20—C5—C6118.7 (5)C68—C79—C69130.0 (4)
C20—C5—H5120.6C80—C79—C69110.6 (5)
C6—C5—H5120.6C65—C80—C79121.4 (5)
C7—C6—C5119.4 (5)C65—C80—C70123.3 (5)
C7—C6—H6120.3C79—C80—C70115.3 (5)
C5—C6—H6120.3C84—O80—C81107.5 (6)
C6—C7—C8123.0 (5)O80—C81—C82108.9 (6)
C6—C7—H7118.5O80—C81—H81A109.9
C8—C7—H7118.5C82—C81—H81A109.9
C19—C8—C7117.6 (5)O80—C81—H81B109.9
C19—C8—P2124.7 (4)C82—C81—H81B109.9
C7—C8—P2116.7 (4)H81A—C81—H81B108.3
C17—C9—C12107.1 (4)C81—C82—C83101.9 (6)
C17—C9—C19105.5 (4)C81—C82—H82A111.4
C12—C9—C19107.9 (4)C83—C82—H82A111.4
C17—C9—H9112.0C81—C82—H82B111.4
C12—C9—H9112.0C83—C82—H82B111.4
C19—C9—H9112.0H82A—C82—H82B109.2
C20—C10—C18105.0 (4)C84—C83—C82102.3 (6)
C20—C10—C11108.4 (4)C84—C83—H83A111.3
C18—C10—C11108.5 (4)C82—C83—H83A111.3
C20—C10—H10111.5C84—C83—H83B111.3
C18—C10—H10111.5C82—C83—H83B111.3
C11—C10—H10111.5H83A—C83—H83B109.2
C12—C11—C10109.0 (4)O80—C84—C83107.8 (6)
C12—C11—H11A109.9O80—C84—H84A110.1
C10—C11—H11A109.9C83—C84—H84A110.1
C12—C11—H11B109.9O80—C84—H84B110.1
C10—C11—H11B109.9C83—C84—H84B110.1
H11A—C11—H11B108.3H84A—C84—H84B108.5
C9—C12—C11110.4 (4)C86—O85—C89108.4 (6)
C9—C12—H12A109.6O85—C86—C87107.0 (6)
C11—C12—H12A109.6O85—C86—H86A110.3
C9—C12—H12B109.6C87—C86—H86A110.3
C11—C12—H12B109.6O85—C86—H86B110.3
H12A—C12—H12B108.1C87—C86—H86B110.3
C1—C17—C18119.1 (4)H86A—C86—H86B108.6
C1—C17—C9129.5 (4)C88—C87—C86103.1 (6)
C18—C17—C9111.4 (4)C88—C87—H87A111.1
C4—C18—C17122.6 (5)C86—C87—H87A111.1
C4—C18—C10123.1 (5)C88—C87—H87B111.1
C17—C18—C10114.2 (4)C86—C87—H87B111.1
C8—C19—C20118.7 (5)H87A—C87—H87B109.1
C8—C19—C9129.7 (4)C89—C88—C87101.5 (6)
C20—C19—C9111.6 (4)C89—C88—H88A111.5
C5—C20—C19122.1 (5)C87—C88—H88A111.5
C5—C20—C10123.9 (5)C89—C88—H88B111.5
C19—C20—C10113.9 (5)C87—C88—H88B111.5
C22—C21—C23111.5 (5)H88A—C88—H88B109.3
C22—C21—P1109.1 (4)O85—C89—C88105.8 (6)
C23—C21—P1116.8 (4)O85—C89—H89A110.6
C22—C21—H21106.3C88—C89—H89A110.6
C23—C21—H21106.3O85—C89—H89B110.6
P1—C21—H21106.3C88—C89—H89B110.6
C21—C22—H22A109.5H89A—C89—H89B108.7
C21—C22—H22B109.5C94—O90—C91106.6 (8)
H22A—C22—H22B109.5O90—C91—C92111.8 (8)
C21—C22—H22C109.5O90—C91—H91A109.3
H22A—C22—H22C109.5C92—C91—H91A109.3
H22B—C22—H22C109.5O90—C91—H91B109.3
C21—C23—H23A109.5C92—C91—H91B109.3
C21—C23—H23B109.5H91A—C91—H91B107.9
H23A—C23—H23B109.5C91—C92—C93102.1 (7)
C21—C23—H23C109.5C91—C92—H92A111.3
H23A—C23—H23C109.5C93—C92—H92A111.3
H23B—C23—H23C109.5C91—C92—H92B111.3
C26—C25—C27111.3 (5)C93—C92—H92B111.3
C26—C25—P3110.2 (4)H92A—C92—H92B109.2
C27—C25—P3116.7 (4)C94—C93—C92104.3 (7)
C26—C25—H25106.0C94—C93—H93A110.9
C27—C25—H25106.0C92—C93—H93A110.9
P3—C25—H25106.0C94—C93—H93B110.9
C25—C26—H26A109.5C92—C93—H93B110.9
C25—C26—H26B109.5H93A—C93—H93B108.9
H26A—C26—H26B109.5O90—C94—C93110.4 (8)
C25—C26—H26C109.5O90—C94—H94A109.6
H26A—C26—H26C109.5C93—C94—H94A109.6
H26B—C26—H26C109.5O90—C94—H94B109.6
C25—C27—H27A109.5C93—C94—H94B109.6
C25—C27—H27B109.5H94A—C94—H94B108.1
H27A—C27—H27B109.5C96—O95—C99108.5 (11)
C25—C27—H27C109.5O95—C96—C97108.8 (12)
H27A—C27—H27C109.5O95—C96—H96A109.9
H27B—C27—H27C109.5C97—C96—H96A109.9
C32—C31—C33111.6 (5)O95—C96—H96B109.9
C32—C31—P1110.6 (4)C97—C96—H96B109.9
C33—C31—P1110.1 (4)H96A—C96—H96B108.3
C32—C31—H31108.2C96—C97—C98103.2 (12)
C33—C31—H31108.2C96—C97—H97A111.1
P1—C31—H31108.2C98—C97—H97A111.1
C31—C32—H32A109.5C96—C97—H97B111.1
C31—C32—H32B109.5C98—C97—H97B111.1
H32A—C32—H32B109.5H97A—C97—H97B109.1
C31—C32—H32C109.5C99—C98—C97106.3 (11)
H32A—C32—H32C109.5C99—C98—H98A110.5
H32B—C32—H32C109.5C97—C98—H98A110.5
C31—C33—H33A109.5C99—C98—H98B110.5
C31—C33—H33B109.5C97—C98—H98B110.5
H33A—C33—H33B109.5H98A—C98—H98B108.7
C31—C33—H33C109.5O95—C99—C98108.6 (11)
H33A—C33—H33C109.5O95—C99—H99A110.0
H33B—C33—H33C109.5C98—C99—H99A110.0
C37—C35—C36111.8 (5)O95—C99—H99B110.0
C37—C35—P3110.0 (4)C98—C99—H99B110.0
C36—C35—P3110.2 (4)H99A—C99—H99B108.4
C37—C35—H35108.2C99B—O95B—C96B108.7 (10)
C36—C35—H35108.2O95B—C96B—C97B106.9 (10)
P3—C35—H35108.2O95B—C96B—H96C110.3
C35—C36—H36A109.5C97B—C96B—H96C110.3
C35—C36—H36B109.5O95B—C96B—H96D110.3
H36A—C36—H36B109.5C97B—C96B—H96D110.3
C35—C36—H36C109.5H96C—C96B—H96D108.6
H36A—C36—H36C109.5C96B—C97B—C98B105.2 (10)
H36B—C36—H36C109.5C96B—C97B—H97C110.7
C35—C37—H37A109.5C98B—C97B—H97C110.7
C35—C37—H37B109.5C96B—C97B—H97D110.7
H37A—C37—H37B109.5C98B—C97B—H97D110.7
C35—C37—H37C109.5H97C—C97B—H97D108.8
H37A—C37—H37C109.5C99B—C98B—C97B103.5 (10)
H37B—C37—H37C109.5C99B—C98B—H98C111.1
C42—C41—C43110.8 (5)C97B—C98B—H98C111.1
C42—C41—P2110.6 (4)C99B—C98B—H98D111.1
C43—C41—P2115.4 (4)C97B—C98B—H98D111.1
C42—C41—H41106.5H98C—C98B—H98D109.0
C43—C41—H41106.5O95B—C99B—C98B105.4 (11)
P2—C41—H41106.5O95B—C99B—H99C110.7
C41—C42—H42A109.5C98B—C99B—H99C110.7
C41—C42—H42B109.5O95B—C99B—H99D110.7
H42A—C42—H42B109.5C98B—C99B—H99D110.7
C41—C42—H42C109.5H99C—C99B—H99D108.8
H42A—C42—H42C109.5C101—O100—C104109.5 (6)
H42B—C42—H42C109.5O100—C101—C102108.5 (6)
C41—C43—H43A109.5O100—C101—H10A110.0
C41—C43—H43B109.5C102—C101—H10A110.0
H43A—C43—H43B109.5O100—C101—H10B110.0
C41—C43—H43C109.5C102—C101—H10B110.0
H43A—C43—H43C109.5H10A—C101—H10B108.4
H43B—C43—H43C109.5C101—C102—C103106.3 (6)
C46—C45—C47110.6 (5)C101—C102—H10C110.5
C46—C45—P4110.1 (4)C103—C102—H10C110.5
C47—C45—P4115.7 (4)C101—C102—H10D110.5
C46—C45—H45106.6C103—C102—H10D110.5
C47—C45—H45106.6H10C—C102—H10D108.7
P4—C45—H45106.6C104—C103—C102105.8 (6)
C45—C46—H46A109.5C104—C103—H10E110.6
C45—C46—H46B109.5C102—C103—H10E110.6
H46A—C46—H46B109.5C104—C103—H10F110.6
C45—C46—H46C109.5C102—C103—H10F110.6
H46A—C46—H46C109.5H10E—C103—H10F108.7
H46B—C46—H46C109.5O100—C104—C103108.9 (6)
C45—C47—H47A109.5O100—C104—H10G109.9
C45—C47—H47B109.5C103—C104—H10G109.9
H47A—C47—H47B109.5O100—C104—H10H109.9
C45—C47—H47C109.5C103—C104—H10H109.9
H47A—C47—H47C109.5H10G—C104—H10H108.3
P1—Pd1—Pd2—C13−48.2 (2)C11—C10—C18—C17−58.7 (6)
Cl1—Pd1—Pd2—C13118.6 (2)C7—C8—C19—C20−7.6 (7)
Cl3—Pd1—Pd2—C13173.1 (2)P2—C8—C19—C20160.4 (4)
C13—Pd1—Pd2—P241.6 (2)C7—C8—C19—C9172.3 (5)
P1—Pd1—Pd2—P2−6.58 (8)P2—C8—C19—C9−19.7 (8)
Cl1—Pd1—Pd2—P2160.23 (7)C17—C9—C19—C8−124.8 (5)
Cl3—Pd1—Pd2—P2−145.33 (7)C12—C9—C19—C8120.9 (5)
C13—Pd1—Pd2—Cl1−118.6 (2)C17—C9—C19—C2055.1 (5)
P1—Pd1—Pd2—Cl1−166.80 (7)C12—C9—C19—C20−59.2 (5)
Cl3—Pd1—Pd2—Cl154.44 (6)C6—C5—C20—C191.6 (8)
C13—Pd1—Pd2—Cl4−179.0 (2)C6—C5—C20—C10−175.2 (5)
P1—Pd1—Pd2—Cl4132.84 (7)C8—C19—C20—C54.9 (8)
Cl1—Pd1—Pd2—Cl4−60.35 (7)C9—C19—C20—C5−175.0 (5)
Cl3—Pd1—Pd2—Cl4−5.91 (7)C8—C19—C20—C10−178.0 (4)
P3—Pd3—Pd4—C14−47.2 (2)C9—C19—C20—C102.1 (6)
Cl2—Pd3—Pd4—C14119.1 (2)C18—C10—C20—C5118.9 (6)
Cl3—Pd3—Pd4—C14173.1 (2)C11—C10—C20—C5−125.3 (6)
C14—Pd3—Pd4—P443.3 (2)C18—C10—C20—C19−58.1 (6)
P3—Pd3—Pd4—P4−3.91 (8)C11—C10—C20—C1957.7 (6)
Cl2—Pd3—Pd4—P4162.40 (7)C1—P1—C21—C22−66.9 (4)
Cl3—Pd3—Pd4—P4−143.62 (7)C31—P1—C21—C22−176.2 (4)
C14—Pd3—Pd4—Cl2−119.1 (2)Pd1—P1—C21—C2268.7 (4)
P3—Pd3—Pd4—Cl2−166.31 (7)C1—P1—C21—C2360.6 (5)
Cl3—Pd3—Pd4—Cl253.98 (7)C31—P1—C21—C23−48.7 (5)
C14—Pd3—Pd4—Cl4−177.2 (2)Pd1—P1—C21—C23−163.8 (4)
P3—Pd3—Pd4—Cl4135.55 (7)C61—P3—C25—C26−67.4 (4)
Cl2—Pd3—Pd4—Cl4−58.15 (8)C35—P3—C25—C26−176.2 (4)
Cl3—Pd3—Pd4—Cl4−4.16 (8)Pd3—P3—C25—C2668.6 (4)
C13—Pd1—Cl1—Pd239.34 (16)C61—P3—C25—C2760.7 (4)
P1—Pd1—Cl1—Pd2106.8 (3)C35—P3—C25—C27−48.1 (5)
Cl3—Pd1—Cl1—Pd2−139.83 (5)Pd3—P3—C25—C27−163.3 (4)
C13—Pd2—Cl1—Pd1−39.29 (16)C21—P1—C31—C32175.1 (4)
P2—Pd2—Cl1—Pd1−112.65 (17)C1—P1—C31—C3268.7 (4)
Cl4—Pd2—Cl1—Pd1135.41 (5)Pd1—P1—C31—C32−67.8 (4)
C14—Pd3—Cl2—Pd439.11 (16)C21—P1—C31—C33−61.2 (4)
P3—Pd3—Cl2—Pd4111.3 (2)C1—P1—C31—C33−167.5 (4)
Cl3—Pd3—Cl2—Pd4−139.72 (5)Pd1—P1—C31—C3356.0 (4)
C14—Pd4—Cl2—Pd3−38.89 (15)C25—P3—C35—C37−65.2 (5)
P4—Pd4—Cl2—Pd3−113.6 (2)C61—P3—C35—C37−171.9 (4)
Cl4—Pd4—Cl2—Pd3137.01 (5)Pd3—P3—C35—C3751.7 (5)
C13—Pd1—Cl3—Pd333.1 (12)C25—P3—C35—C36171.1 (4)
P1—Pd1—Cl3—Pd3−151.36 (6)C61—P3—C35—C3664.4 (4)
Cl1—Pd1—Cl3—Pd338.70 (6)Pd3—P3—C35—C36−72.0 (4)
Pd2—Pd1—Cl3—Pd3−3.13 (7)C8—P2—C41—C4267.7 (4)
C14—Pd3—Cl3—Pd141.5 (10)C51—P2—C41—C42177.3 (4)
P3—Pd3—Cl3—Pd1−141.93 (6)Pd2—P2—C41—C42−67.2 (4)
Cl2—Pd3—Cl3—Pd148.98 (6)C8—P2—C41—C43−59.1 (5)
Pd4—Pd3—Cl3—Pd17.45 (7)C51—P2—C41—C4350.6 (5)
C13—Pd2—Cl4—Pd43.9 (12)Pd2—P2—C41—C43166.0 (4)
P2—Pd2—Cl4—Pd4158.94 (7)C68—P4—C45—C4668.6 (4)
Cl1—Pd2—Cl4—Pd4−36.21 (7)C55—P4—C45—C46178.4 (4)
Pd1—Pd2—Cl4—Pd48.95 (9)Pd4—P4—C45—C46−66.4 (4)
C14—Pd4—Cl4—Pd2−18.7 (11)C68—P4—C45—C47−57.7 (5)
P4—Pd4—Cl4—Pd2145.37 (7)C55—P4—C45—C4752.2 (5)
Cl2—Pd4—Cl4—Pd2−48.46 (7)Pd4—P4—C45—C47167.3 (4)
Pd3—Pd4—Cl4—Pd2−4.70 (9)C8—P2—C51—C53172.1 (4)
P1—Pd1—C13—Pd2143.68 (16)C41—P2—C51—C5366.1 (4)
Cl1—Pd1—C13—Pd2−46.40 (15)Pd2—P2—C51—C53−52.8 (4)
Cl3—Pd1—C13—Pd2−40.7 (13)C8—P2—C51—C52−65.1 (4)
P2—Pd2—C13—Pd1−149.43 (16)C41—P2—C51—C52−171.1 (4)
Cl1—Pd2—C13—Pd146.18 (15)Pd2—P2—C51—C5270.0 (4)
Cl4—Pd2—C13—Pd15.7 (13)C68—P4—C55—C56−67.6 (4)
P3—Pd3—C14—Pd4144.83 (15)C45—P4—C55—C56−174.2 (4)
Cl2—Pd3—C14—Pd4−46.11 (14)Pd4—P4—C55—C5667.2 (4)
Cl3—Pd3—C14—Pd4−38.6 (11)C68—P4—C55—C57168.6 (4)
P4—Pd4—C14—Pd3−148.28 (15)C45—P4—C55—C5762.1 (5)
Cl2—Pd4—C14—Pd345.84 (14)Pd4—P4—C55—C57−56.5 (4)
Cl4—Pd4—C14—Pd315.8 (12)C25—P3—C61—C62−73.1 (4)
C13—Pd1—P1—C21−158.8 (3)C35—P3—C61—C6236.1 (5)
Cl1—Pd1—P1—C21134.6 (3)Pd3—P3—C61—C62161.2 (3)
Cl3—Pd1—P1—C2121.9 (2)C25—P3—C61—C7796.6 (5)
Pd2—Pd1—P1—C21−126.45 (19)C35—P3—C61—C77−154.1 (4)
C13—Pd1—P1—C1−37.3 (3)Pd3—P3—C61—C77−29.0 (5)
Cl1—Pd1—P1—C1−103.9 (3)C77—C61—C62—C63−2.5 (8)
Cl3—Pd1—P1—C1143.3 (2)P3—C61—C62—C63168.2 (5)
Pd2—Pd1—P1—C1−5.0 (2)C61—C62—C63—C64−0.5 (9)
C13—Pd1—P1—C3187.2 (2)C62—C63—C64—C782.2 (8)
Cl1—Pd1—P1—C3120.6 (3)C80—C65—C66—C67−4.3 (9)
Cl3—Pd1—P1—C31−92.19 (19)C65—C66—C67—C682.3 (9)
Pd2—Pd1—P1—C31119.51 (19)C66—C67—C68—C793.4 (8)
C13—Pd2—P2—C837.3 (3)C66—C67—C68—P4−166.7 (5)
Cl1—Pd2—P2—C8109.4 (3)C45—P4—C68—C79−90.5 (5)
Cl4—Pd2—P2—C8−139.2 (2)C55—P4—C68—C79160.9 (4)
Pd1—Pd2—P2—C88.9 (2)Pd4—P4—C68—C7936.5 (5)
C13—Pd2—P2—C51−87.2 (2)C45—P4—C68—C6778.7 (4)
Cl1—Pd2—P2—C51−15.1 (3)C55—P4—C68—C67−29.8 (5)
Cl4—Pd2—P2—C5196.27 (18)Pd4—P4—C68—C67−154.2 (3)
Pd1—Pd2—P2—C51−115.58 (18)C80—C70—C71—C72−58.2 (6)
C13—Pd2—P2—C41159.7 (2)C78—C70—C71—C7255.6 (6)
Cl1—Pd2—P2—C41−128.2 (2)C70—C71—C72—C693.4 (6)
Cl4—Pd2—P2—C41−16.86 (19)C79—C69—C72—C7154.6 (6)
Pd1—Pd2—P2—C41131.30 (19)C77—C69—C72—C71−59.8 (5)
C14—Pd3—P3—C25−158.6 (2)C62—C61—C77—C783.6 (7)
Cl2—Pd3—P3—C25130.1 (3)P3—C61—C77—C78−165.9 (4)
Cl3—Pd3—P3—C2521.90 (18)C62—C61—C77—C69−176.4 (5)
Pd4—Pd3—P3—C25−126.81 (18)P3—C61—C77—C6914.1 (8)
C14—Pd3—P3—C61−36.4 (3)C79—C69—C77—C78−55.4 (5)
Cl2—Pd3—P3—C61−107.7 (3)C72—C69—C77—C7859.4 (5)
Cl3—Pd3—P3—C61144.1 (2)C79—C69—C77—C61124.6 (5)
Pd4—Pd3—P3—C61−4.6 (2)C72—C69—C77—C61−120.6 (5)
C14—Pd3—P3—C3587.5 (2)C63—C64—C78—C77−1.0 (8)
Cl2—Pd3—P3—C3516.2 (3)C63—C64—C78—C70177.0 (5)
Cl3—Pd3—P3—C35−91.94 (19)C61—C77—C78—C64−2.0 (8)
Pd4—Pd3—P3—C35119.34 (18)C69—C77—C78—C64178.0 (5)
C14—Pd4—P4—C6834.1 (3)C61—C77—C78—C70179.8 (4)
Cl2—Pd4—P4—C68107.5 (3)C69—C77—C78—C70−0.2 (6)
Cl4—Pd4—P4—C68−143.6 (2)C80—C70—C78—C64−122.2 (6)
Pd3—Pd4—P4—C684.8 (2)C71—C70—C78—C64122.2 (6)
C14—Pd4—P4—C45156.7 (3)C80—C70—C78—C7756.0 (6)
Cl2—Pd4—P4—C45−129.9 (3)C71—C70—C78—C77−59.6 (6)
Cl4—Pd4—P4—C45−21.0 (2)C67—C68—C79—C80−6.9 (7)
Pd3—Pd4—P4—C45127.4 (2)P4—C68—C79—C80162.2 (4)
C14—Pd4—P4—C55−89.8 (2)C67—C68—C79—C69172.2 (5)
Cl2—Pd4—P4—C55−16.4 (3)P4—C68—C79—C69−18.6 (8)
Cl4—Pd4—P4—C5592.41 (19)C77—C69—C79—C68−126.1 (6)
Pd3—Pd4—P4—C55−119.16 (19)C72—C69—C79—C68120.9 (6)
C21—P1—C1—C2−75.0 (4)C77—C69—C79—C8053.1 (5)
C31—P1—C1—C234.5 (5)C72—C69—C79—C80−59.9 (6)
Pd1—P1—C1—C2159.7 (3)C66—C65—C80—C790.5 (9)
C21—P1—C1—C1795.5 (5)C66—C65—C80—C70−177.1 (5)
C31—P1—C1—C17−155.0 (5)C68—C79—C80—C655.2 (8)
Pd1—P1—C1—C17−29.8 (5)C69—C79—C80—C65−174.2 (5)
C17—C1—C2—C3−4.0 (8)C68—C79—C80—C70−177.0 (5)
P1—C1—C2—C3167.4 (4)C69—C79—C80—C703.6 (7)
C1—C2—C3—C4−0.5 (9)C78—C70—C80—C65119.0 (6)
C2—C3—C4—C183.5 (8)C71—C70—C80—C65−125.5 (6)
C20—C5—C6—C7−5.1 (8)C78—C70—C80—C79−58.8 (6)
C5—C6—C7—C82.2 (9)C71—C70—C80—C7956.7 (6)
C6—C7—C8—C194.2 (8)C84—O80—C81—C825.0 (9)
C6—C7—C8—P2−164.8 (4)O80—C81—C82—C83−24.0 (9)
C51—P2—C8—C19160.6 (4)C81—C82—C83—C8432.6 (8)
C41—P2—C8—C19−91.7 (5)C81—O80—C84—C8316.9 (9)
Pd2—P2—C8—C1935.5 (5)C82—C83—C84—O80−31.4 (8)
C51—P2—C8—C7−31.3 (5)C89—O85—C86—C87−4.0 (12)
C41—P2—C8—C776.4 (4)O85—C86—C87—C88−19.3 (11)
Pd2—P2—C8—C7−156.4 (3)C86—C87—C88—C8933.6 (10)
C20—C10—C11—C12−58.4 (6)C86—O85—C89—C8826.2 (11)
C18—C10—C11—C1255.2 (6)C87—C88—C89—O85−37.3 (9)
C17—C9—C12—C11−58.4 (5)C94—O90—C91—C922.7 (16)
C19—C9—C12—C1154.8 (5)O90—C91—C92—C93−15.2 (15)
C10—C11—C12—C92.3 (6)C91—C92—C93—C9420.8 (12)
C2—C1—C17—C185.4 (7)C91—O90—C94—C9311.8 (14)
P1—C1—C17—C18−165.0 (4)C92—C93—C94—O90−21.1 (13)
C2—C1—C17—C9−174.2 (5)C99—O95—C96—C9722 (4)
P1—C1—C17—C915.4 (8)O95—C96—C97—C98−20 (4)
C12—C9—C17—C1−121.6 (6)C96—C97—C98—C9911 (4)
C19—C9—C17—C1123.6 (5)C96—O95—C99—C98−15 (3)
C12—C9—C17—C1858.7 (5)C97—C98—C99—O952(4)
C19—C9—C17—C18−56.0 (5)C99B—O95B—C96B—C97B−21 (3)
C3—C4—C18—C17−2.0 (8)O95B—C96B—C97B—C98B1(3)
C3—C4—C18—C10174.8 (5)C96B—C97B—C98B—C99B17 (3)
C1—C17—C18—C4−2.5 (8)C96B—O95B—C99B—C98B32 (2)
C9—C17—C18—C4177.2 (5)C97B—C98B—C99B—O95B−30 (3)
C1—C17—C18—C10−179.6 (4)C104—O100—C101—C102−7.5 (10)
C9—C17—C18—C100.1 (6)O100—C101—C102—C1031.9 (11)
C20—C10—C18—C4−120.0 (5)C101—C102—C103—C1044.1 (12)
C11—C10—C18—C4124.3 (5)C101—O100—C104—C10310.3 (11)
C20—C10—C18—C1757.1 (6)C102—C103—C104—O100−8.7 (12)

Footnotes

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HG2653).

References

  • Brownie, J. H., Baird, M. C., Zakharov, L. N. & Rheingold, A. L. (2003). Organometallics, 22, 33–41.
  • Grossman, O., Azerraf, C. & Gelman, D. (2006). Organometallics, 25, 375–381.
  • Klopfenstein, S. R., Kluwe, C., Kirschbaum, K. & Davies, J. A. (1996). Can. J. Chem.74, 2331–2339.
  • Sachse, A., John, M. & Meyer, F. (2010). Angew. Chem. Int. Ed.49, 1986–1989. [PubMed]
  • Schnetz, T., Röder, M., Rominger, F. & Hofmann, P. (2008). Dalton Trans. pp. 2238–2240. [PubMed]
  • Sheldrick, G. M. (2008a). SADABS University of Göttingen, Germany.
  • Sheldrick, G. M. (2008b). Acta Cryst. A64, 112–122. [PubMed]
  • Siemens (1996). SMART and SAINT Siemens Analytical X-ray Instruments Inc., Madison, Wisconsin, USA.
  • Warth, D. C. M. (1999). Diploma Thesis, Heidelberg University, Germany.

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