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Acta Crystallogr Sect E Struct Rep Online. 2009 January 1; 65(Pt 1): m93.
Published online 2008 December 17. doi:  10.1107/S1600536808042268
PMCID: PMC2967925

5-Cyclo­penta­dien­yl)bis­(triphenyl­phosphane)cobalt(I)–toluene–n-hexane (1/0.20/0.25)

Abstract

The title compound, [Co(C5H5)(C18H15P)2]·0.2C7H8·0.25C6H14, was synthesized by the reaction of cobaltocene, Cp2Co, with elemental lithium in tetra­hydro­furan in the presence of two equivalents of PPh3. The mol­ecular structure displays a cobalt(I) center in a distorted trigonal-planar coordination environment, with one Cp and two phosphane ligands. There are two crystallographically independent mol­ecules in the asymmetric unit besides the disordered solvent molecules.

Related literature

For a general background and synthetic procedure, see: Jonas et al. (1981 [triangle], 1983 [triangle]). For derivatives with chiral Cp-ligands, see: Gutnov et al. (2003 [triangle], 2004 [triangle]). For the structurally related compound CpCo(PEt3)2, see: Harlow et al. (1983 [triangle]).

An external file that holds a picture, illustration, etc.
Object name is e-65-00m93-scheme1.jpg

Experimental

Crystal data

  • [Co(C5H5)(C18H15P)2]·0.2C7H8·0.25C6H14
  • M r = 688.53
  • Triclinic, An external file that holds a picture, illustration, etc.
Object name is e-65-00m93-efi1.jpg
  • a = 10.5496 (3) Å
  • b = 18.2220 (5) Å
  • c = 19.0367 (5) Å
  • α = 86.543 (2)°
  • β = 75.093 (2)°
  • γ = 89.691 (2)°
  • V = 3529.7 (2) Å3
  • Z = 4
  • Mo Kα radiation
  • μ = 0.61 mm−1
  • T = 200 (2) K
  • 0.5 × 0.3 × 0.3 mm

Data collection

  • Stoe IPDSII diffractometer
  • Absorption correction: numerical (X-SHAPE; Stoe & Cie, 2005 [triangle]) T min = 0.787, T max = 0.868
  • 48156 measured reflections
  • 13135 independent reflections
  • 9423 reflections with I > 2σ(I)
  • R int = 0.032

Refinement

  • R[F 2 > 2σ(F 2)] = 0.032
  • wR(F 2) = 0.080
  • S = 0.92
  • 13135 reflections
  • 829 parameters
  • 6 restraints
  • H-atom parameters constrained
  • Δρmax = 0.71 e Å−3
  • Δρmin = −0.26 e Å−3

Data collection: X-AREA (Stoe & Cie, 2005 [triangle]); cell refinement: X-AREA; data reduction: X-RED (Stoe & Cie, 2005 [triangle]); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 [triangle]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 [triangle]); molecular graphics: SHELXTL (Sheldrick, 2008 [triangle]); software used to prepare material for publication: SHELXTL.

Supplementary Material

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536808042268/im2092sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808042268/im2092Isup2.hkl

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

Acknowledgments

This work was supported by the Leibniz-Institut für Katalyse e. V. an der Universität Rostock. We thank Professor Uwe Rosenthal for his support.

supplementary crystallographic information

Comment

The "CpCo"-fragment is a frequently used structural motif in catalytic reactions involving organocobalt species. Usually the "CpCo" fragment is stabilized by two donor ligands and a number of stable and commercially available complexes are known. Well known examples are the so-called Jonas complex CpCo(ethylene)2 (Jonas et al., 1981) and the carbonyl complex Cp(Co)(CO)2, which has frequently been used as precursor in cobalt-catalysed cycloaddition reactions. We have prepared CpCo(PPh3)2 as a precursor compound for the synthesis of different cobalt complexes and the screening of catalytic reactions. Recently, we adopted a novel synthethic procedure for CpCo(PPh3)2 by reacting cobaltocene, Cp2Co, with elemental lithium in THF in the presence of 2 equivalents of PPh3, following a general procedure that has been published (Jonas et al., 1983). The synthesis of chiral cyclopentadienyl (Cp*) cobalt complexes, which were used as catalysts in atroposelective [2 + 2+2] cycloaddition reactions, frequently includes triphenylphosphane-stabilized Cp*Co-intermediates (Gutnov et al., 2003, 2004). In the synthetic sequence CoCl(PPh3)3 is reacted with Cp*Li, yielding the Cp*Co(PPh3)2 compound, that can readily be converted to the cyclooctadiene complex.

Here we prepared the unsubstituted bisphosphane complex by a reductive methodology, using lithium as the reducing agent for cobaltocene in the presence of the triphenylphosphane under very mild and convenient reaction conditions.

The structure of the title complex contains two molecules in the asymmetric unit besides n-hexane and toluene as lattice solvents with occupancies 0.5:0.4. The P—Co—P angle is 99.57 (3) and 99.67 (2) %, respectively, with one phenyl group of each phosphane being nearly parallel to each other (Fig.1).

Experimental

Cobaltocene (2 g, 10.58 mmol), triphenylphosphane (5.55 g, 21.15 mmol) and freshly cut lithium (74 mg, 10.69 mmol) were weighted into a Schlenk flask in the glove-box. The reaction flask was connected to a Schlenk line outside the box and while cooling to -10 °C dry THF was added. After short time a colour change to deep red-violet was observed in the reaction flask and after 5 h stirring at a temperature between -10 to 0 °C the lithium has disappeared and the solution became markedly more viscous. THF was removed in vacuo. The residue was dissolved in toluene and filtrated over a G4 Schlenk filter frit. The filtrate was evaporated until only ca 25 ml of toluene were left. The same amount of n-hexane was added and the solution stored in the freezer. After crystallization of the product, the solid was filtered off with a Schlenk filter frit, washed with n-hexane and dried in high vacuo to yield 3.8 g of pure complex. The identity of the product was proven by 1H, 13C and 31P NMR.

Refinement

All fully occupied non-hydrogen atoms are refined anisotropically. Atoms of solvent molecules are refined isotropically with occupancies 0.5:0.4 (n-hexane:toluene). All H atoms were placed in idealized positions with d(C—H) = 0.99 (CH2), 0.98 (CH3) and 0.95 Å (CH) and refined using a riding model with Uiso(H) fixed at 1.5 Ueq(C) for CH3 and 1.2 Ueq(C) for CH2 and CH.

Figures

Fig. 1.
The molecular structure of the title compound showing the atom-labelling scheme (except C37, C52, C72, C73, C77 and C78). Thermal ellipsoids are drawn at the 30% probability level. Hydrogen atoms and solvent molecules are omitted for clarity.

Crystal data

[Co(C5H5)(C18H15P)2]·0.2C7H8·0.25C6H14Z = 4
Mr = 688.53F(000) = 1442
Triclinic, P1Dx = 1.296 Mg m3
a = 10.5496 (3) ÅMo Kα radiation, λ = 0.71073 Å
b = 18.2220 (5) ÅCell parameters from 41669 reflections
c = 19.0367 (5) Åθ = 1.5–27.2°
α = 86.543 (2)°µ = 0.61 mm1
β = 75.093 (2)°T = 200 K
γ = 89.691 (2)°Prism, dark-purple
V = 3529.7 (2) Å30.5 × 0.3 × 0.3 mm

Data collection

Stoe IPDSII diffractometer13135 independent reflections
Radiation source: fine-focus sealed tube9423 reflections with I > 2σ(I)
graphiteRint = 0.032
rotation method scansθmax = 25.5°, θmin = 1.5°
Absorption correction: numerical (X-SHAPE; Stoe & Cie, 2005)h = −12→12
Tmin = 0.787, Tmax = 0.868k = −22→22
48156 measured reflectionsl = −23→23

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)] = 0.032Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.080H-atom parameters constrained
S = 0.92w = 1/[σ2(Fo2) + (0.0468P)2] where P = (Fo2 + 2Fc2)/3
13135 reflections(Δ/σ)max = 0.001
829 parametersΔρmax = 0.71 e Å3
6 restraintsΔρmin = −0.26 e Å3

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*/UeqOcc. (<1)
C830.6309 (8)0.0938 (4)0.1203 (4)0.083 (2)*0.50
H83A0.58420.07730.08560.125*0.50
H83B0.70920.12210.09380.125*0.50
H83C0.57320.12500.15480.125*0.50
C850.7389 (8)0.0435 (4)0.2121 (4)0.072 (2)*0.50
H85A0.69310.08220.24320.087*0.50
H85B0.82700.06310.18630.087*0.50
C860.7557 (9)−0.0182 (4)0.2587 (4)0.085 (2)*0.50
H86A0.6669−0.03940.27970.102*0.50
H86B0.8049−0.05480.22610.102*0.50
C870.8154 (12)−0.0173 (5)0.3178 (6)0.111 (3)*0.50
H87A0.78740.02800.34360.133*0.50
H87B0.9116−0.01350.29720.133*0.50
C880.7890 (10)−0.0784 (5)0.3703 (5)0.109 (3)*0.50
H88A0.8384−0.07230.40670.163*0.50
H88B0.8156−0.12390.34590.163*0.50
H88C0.6950−0.08070.39430.163*0.50
C840.6687 (6)0.0315 (3)0.1589 (3)0.1200 (19)*0.90
H84A0.72320.00000.12250.144*0.50
H84B0.58810.00320.18340.144*0.50
H84C0.6265−0.01010.14340.180*0.40
H84D0.73960.05130.11820.180*0.40
H84E0.60380.06990.17430.180*0.40
C890.7259 (8)0.0056 (5)0.2234 (4)0.088 (3)*0.40
C900.7894 (9)0.0593 (4)0.2510 (5)0.121 (4)*0.40
H900.79290.10860.23140.145*0.40
C910.8479 (9)0.0407 (5)0.3072 (5)0.125 (4)*0.40
H910.89130.07740.32600.150*0.40
C920.8427 (9)−0.0315 (5)0.3358 (5)0.112 (5)*0.40
H920.8827−0.04420.37420.134*0.40
C930.7792 (10)−0.0852 (4)0.3082 (5)0.143 (5)*0.40
H930.7757−0.13460.32780.172*0.40
C940.7208 (8)−0.0667 (4)0.2520 (5)0.106 (4)*0.40
H940.6774−0.10340.23320.128*0.40
C10.1308 (3)0.75684 (15)0.32133 (13)0.0414 (6)
H1A0.18200.78570.28080.050*
C20.0437 (2)0.78319 (14)0.38396 (14)0.0396 (6)
H2A0.02980.83350.39400.047*
C3−0.0194 (2)0.72283 (15)0.42916 (15)0.0423 (6)
H3A−0.08550.72520.47350.051*
C40.0333 (3)0.65879 (15)0.39653 (16)0.0457 (7)
H4A0.01050.60980.41530.055*
C50.1271 (3)0.68004 (16)0.33048 (15)0.0456 (7)
H5A0.17880.64750.29780.055*
C60.0772 (2)0.83076 (12)0.54939 (11)0.0284 (5)
C70.0236 (2)0.90057 (14)0.54925 (14)0.0401 (6)
H7A0.06670.93780.51440.048*
C8−0.0928 (3)0.91630 (15)0.59972 (16)0.0501 (7)
H8A−0.12910.96410.59870.060*
C9−0.1557 (3)0.86332 (15)0.65107 (14)0.0436 (6)
H9A−0.23450.87460.68590.052*
C10−0.1042 (3)0.79381 (14)0.65189 (14)0.0415 (6)
H10B−0.14710.75710.68750.050*
C110.0098 (2)0.77739 (13)0.60099 (13)0.0368 (6)
H11A0.04300.72880.60110.044*
C120.2946 (2)0.89196 (12)0.43700 (12)0.0287 (5)
C130.3290 (2)0.94745 (12)0.47616 (14)0.0368 (6)
H13A0.31100.94110.52770.044*
C140.3890 (3)1.01168 (14)0.44071 (16)0.0453 (6)
H14A0.41151.04930.46790.054*
C150.4161 (3)1.02094 (14)0.36620 (16)0.0473 (7)
H15A0.45811.06480.34190.057*
C160.3827 (3)0.96710 (15)0.32700 (15)0.0445 (6)
H16A0.40080.97410.27550.053*
C170.3227 (2)0.90247 (13)0.36169 (13)0.0348 (5)
H17A0.30070.86530.33390.042*
C180.3443 (2)0.79113 (11)0.53970 (12)0.0280 (5)
C190.4773 (2)0.79189 (12)0.50431 (13)0.0338 (5)
H19A0.50390.79780.45270.041*
C200.5716 (3)0.78416 (14)0.54290 (16)0.0439 (6)
H20A0.66200.78450.51780.053*
C210.5341 (3)0.77591 (14)0.61804 (16)0.0487 (7)
H21A0.59830.76980.64480.058*
C220.4039 (3)0.77658 (15)0.65349 (15)0.0479 (7)
H22A0.37810.77200.70520.057*
C230.3090 (3)0.78383 (13)0.61519 (13)0.0365 (6)
H23A0.21900.78380.64080.044*
C240.2899 (2)0.54610 (11)0.40450 (12)0.0270 (5)
C250.3339 (2)0.53717 (12)0.33028 (12)0.0321 (5)
H25A0.37390.57760.29860.039*
C260.3207 (2)0.47064 (14)0.30157 (14)0.0392 (6)
H26A0.35280.46540.25070.047*
C270.2612 (3)0.41201 (14)0.34640 (16)0.0491 (7)
H27A0.25050.36640.32680.059*
C280.2175 (3)0.41999 (15)0.41987 (16)0.0591 (9)
H28A0.17670.37950.45120.071*
C290.2323 (3)0.48634 (13)0.44900 (14)0.0449 (7)
H29A0.20240.49070.50010.054*
C300.3020 (2)0.61374 (11)0.53389 (11)0.0278 (5)
C310.1744 (2)0.60183 (12)0.57780 (12)0.0349 (5)
H31A0.10210.60580.55670.042*
C320.1527 (3)0.58431 (14)0.65154 (13)0.0449 (7)
H32A0.06590.57550.68070.054*
C330.2570 (3)0.57953 (14)0.68288 (14)0.0497 (7)
H33A0.24200.56750.73360.060*
C340.3821 (3)0.59211 (14)0.64083 (14)0.0440 (7)
H34A0.45360.58940.66270.053*
C350.4051 (3)0.60883 (12)0.56653 (12)0.0325 (5)
H35A0.49240.61700.53780.039*
C360.4897 (2)0.64966 (12)0.39279 (11)0.0264 (5)
C370.5294 (2)0.71156 (12)0.34590 (12)0.0305 (5)
H37A0.46600.74630.33820.037*
C380.6605 (3)0.72305 (14)0.31034 (13)0.0403 (6)
H38A0.68630.76530.27810.048*
C390.7538 (2)0.67351 (16)0.32137 (14)0.0434 (6)
H39A0.84410.68250.29850.052*
C400.7150 (2)0.61094 (14)0.36573 (14)0.0406 (6)
H40A0.77860.57590.37240.049*
C410.5841 (2)0.59860 (12)0.40070 (12)0.0320 (5)
H41A0.55850.55470.43050.038*
C42−0.0959 (2)0.27369 (15)0.06581 (15)0.0430 (6)
H42A−0.11660.27030.02040.052*
C43−0.0740 (2)0.21420 (14)0.11211 (14)0.0397 (6)
H43A−0.07270.16380.10190.048*
C44−0.0543 (2)0.24217 (16)0.17623 (14)0.0448 (7)
H44A−0.04280.21420.21790.054*
C45−0.0551 (2)0.31839 (17)0.16664 (16)0.0513 (8)
H45A−0.04010.35180.20010.062*
C46−0.0819 (2)0.33820 (15)0.09869 (17)0.0489 (7)
H46A−0.08910.38680.07920.059*
C470.3722 (2)0.35360 (11)0.10504 (11)0.0253 (5)
C480.3717 (2)0.29229 (12)0.15218 (12)0.0312 (5)
H48A0.30120.25780.16140.037*
C490.4720 (3)0.28084 (15)0.18576 (13)0.0398 (6)
H49A0.47030.23860.21780.048*
C500.5749 (3)0.33051 (15)0.17304 (13)0.0415 (6)
H50A0.64520.32190.19510.050*
C510.5748 (2)0.39265 (14)0.12811 (13)0.0389 (6)
H51A0.64460.42750.11990.047*
C520.4744 (2)0.40456 (13)0.09508 (12)0.0320 (5)
H52A0.47460.44810.06500.038*
C530.1809 (2)0.45640 (11)0.09877 (12)0.0268 (5)
C540.1394 (3)0.46218 (13)0.17349 (13)0.0365 (6)
H54A0.13560.41930.20490.044*
C550.1035 (3)0.52857 (14)0.20311 (14)0.0427 (6)
H55A0.07420.53090.25450.051*
C560.1098 (3)0.59119 (15)0.15896 (16)0.0491 (7)
H56A0.08450.63700.17930.059*
C570.1529 (4)0.58706 (15)0.08513 (17)0.0614 (9)
H57A0.15910.63050.05420.074*
C580.1876 (3)0.52035 (13)0.05509 (14)0.0455 (7)
H58A0.21640.51840.00370.055*
C590.3037 (2)0.39087 (11)−0.03316 (11)0.0267 (5)
C600.4359 (2)0.39383 (12)−0.06923 (12)0.0303 (5)
H60A0.50010.3846−0.04290.036*
C610.4744 (3)0.41027 (14)−0.14399 (13)0.0390 (6)
H61A0.56510.4119−0.16850.047*
C620.3830 (3)0.42410 (14)−0.18281 (13)0.0425 (6)
H62A0.41050.4350−0.23390.051*
C630.2512 (3)0.42223 (14)−0.14764 (13)0.0394 (6)
H63A0.18780.4326−0.17430.047*
C640.2118 (2)0.40522 (13)−0.07370 (12)0.0332 (5)
H64A0.12090.4032−0.04980.040*
C650.2344 (2)0.11055 (12)0.06632 (12)0.0284 (5)
C660.1887 (2)0.10033 (13)0.14104 (13)0.0348 (5)
H66A0.13730.13730.16770.042*
C670.2169 (3)0.03647 (14)0.17766 (14)0.0445 (6)
H67A0.18410.03000.22900.053*
C680.2922 (3)−0.01746 (14)0.13984 (15)0.0434 (6)
H68A0.3124−0.06070.16510.052*
C690.3378 (3)−0.00837 (13)0.06546 (15)0.0417 (6)
H69A0.3889−0.04570.03910.050*
C700.3095 (2)0.05498 (13)0.02867 (13)0.0350 (5)
H70A0.34140.0607−0.02280.042*
C710.1177 (2)0.16815 (12)−0.04709 (12)0.0277 (5)
C720.0650 (2)0.09803 (13)−0.04531 (13)0.0363 (6)
H72A0.07840.0614−0.01040.044*
C73−0.0067 (3)0.08103 (14)−0.09367 (15)0.0458 (7)
H73A−0.04360.0332−0.09100.055*
C74−0.0252 (3)0.13294 (14)−0.14578 (14)0.0428 (6)
H74A−0.07310.1208−0.17950.051*
C750.0264 (2)0.20256 (14)−0.14848 (14)0.0386 (6)
H75A0.01470.2385−0.18450.046*
C760.0952 (2)0.22048 (13)−0.09915 (13)0.0344 (5)
H76A0.12790.2692−0.10060.041*
C770.3744 (2)0.21120 (11)−0.03924 (12)0.0277 (5)
C780.4077 (2)0.21893 (14)−0.11444 (13)0.0378 (6)
H78A0.34050.2183−0.13940.045*
C790.5379 (3)0.22765 (15)−0.15421 (15)0.0463 (7)
H79A0.55880.2330−0.20590.056*
C800.6362 (3)0.22851 (15)−0.11898 (15)0.0457 (7)
H80A0.72500.2350−0.14610.055*
C810.6053 (2)0.21992 (14)−0.04404 (15)0.0413 (6)
H81A0.67300.2199−0.01940.050*
C820.4760 (2)0.21139 (13)−0.00478 (13)0.0333 (5)
H82A0.45590.20550.04680.040*
Co10.18245 (3)0.720773 (16)0.417849 (15)0.02465 (8)
Co20.09119 (3)0.279710 (16)0.082317 (15)0.02457 (8)
P10.22712 (6)0.80313 (3)0.48282 (3)0.02488 (12)
P20.31370 (5)0.63772 (3)0.43712 (3)0.02326 (12)
P30.23336 (5)0.36534 (3)0.06398 (3)0.02289 (12)
P40.20477 (6)0.19806 (3)0.01871 (3)0.02500 (12)

Atomic displacement parameters (Å2)

U11U22U33U12U13U23
C10.0464 (16)0.0527 (16)0.0326 (13)0.0058 (12)−0.0237 (11)−0.0029 (11)
C20.0383 (14)0.0403 (14)0.0485 (15)0.0106 (11)−0.0261 (12)−0.0060 (11)
C30.0248 (13)0.0555 (16)0.0491 (15)0.0012 (12)−0.0138 (11)−0.0049 (13)
C40.0434 (16)0.0385 (14)0.0679 (18)−0.0083 (12)−0.0375 (14)−0.0029 (13)
C50.0466 (16)0.0560 (17)0.0471 (15)0.0160 (13)−0.0309 (13)−0.0255 (13)
C60.0295 (12)0.0304 (12)0.0275 (11)0.0017 (9)−0.0105 (9)−0.0058 (9)
C70.0357 (14)0.0382 (14)0.0432 (14)0.0077 (11)−0.0059 (11)0.0024 (11)
C80.0420 (16)0.0404 (15)0.0625 (18)0.0156 (12)−0.0038 (13)−0.0042 (13)
C90.0329 (14)0.0482 (16)0.0462 (15)0.0048 (12)−0.0017 (11)−0.0132 (12)
C100.0391 (15)0.0448 (15)0.0367 (13)−0.0058 (12)−0.0023 (11)−0.0027 (11)
C110.0388 (14)0.0290 (12)0.0398 (13)0.0031 (10)−0.0044 (11)−0.0056 (10)
C120.0258 (12)0.0262 (11)0.0348 (12)0.0038 (9)−0.0096 (9)−0.0008 (9)
C130.0411 (15)0.0298 (12)0.0434 (14)0.0001 (11)−0.0179 (11)−0.0028 (10)
C140.0432 (16)0.0294 (13)0.0687 (19)−0.0019 (11)−0.0241 (14)−0.0014 (12)
C150.0348 (15)0.0355 (14)0.0679 (19)−0.0033 (11)−0.0104 (13)0.0146 (13)
C160.0374 (15)0.0481 (16)0.0438 (15)0.0014 (12)−0.0065 (12)0.0125 (12)
C170.0332 (13)0.0353 (13)0.0361 (13)0.0035 (10)−0.0099 (10)0.0006 (10)
C180.0352 (13)0.0189 (10)0.0335 (12)0.0012 (9)−0.0148 (10)−0.0037 (9)
C190.0373 (14)0.0276 (12)0.0402 (13)0.0002 (10)−0.0158 (11)−0.0049 (10)
C200.0360 (15)0.0355 (14)0.0668 (18)0.0025 (11)−0.0248 (13)−0.0052 (12)
C210.060 (2)0.0394 (15)0.0610 (18)0.0009 (13)−0.0427 (16)−0.0012 (13)
C220.064 (2)0.0446 (15)0.0440 (15)0.0033 (14)−0.0314 (14)−0.0003 (12)
C230.0443 (15)0.0334 (13)0.0356 (13)0.0037 (11)−0.0170 (11)−0.0022 (10)
C240.0257 (12)0.0250 (11)0.0313 (11)−0.0006 (9)−0.0084 (9)−0.0049 (9)
C250.0326 (13)0.0287 (12)0.0328 (12)−0.0004 (10)−0.0036 (10)−0.0048 (9)
C260.0391 (15)0.0421 (14)0.0374 (13)0.0033 (11)−0.0091 (11)−0.0139 (11)
C270.0609 (19)0.0304 (13)0.0584 (17)−0.0041 (12)−0.0169 (14)−0.0154 (12)
C280.084 (2)0.0305 (14)0.0559 (18)−0.0206 (14)−0.0063 (16)0.0004 (13)
C290.0617 (18)0.0344 (14)0.0339 (13)−0.0109 (12)−0.0036 (12)−0.0011 (11)
C300.0364 (13)0.0205 (10)0.0259 (11)0.0030 (9)−0.0069 (9)−0.0023 (8)
C310.0401 (14)0.0306 (12)0.0310 (12)0.0050 (10)−0.0039 (10)−0.0023 (10)
C320.0588 (18)0.0353 (14)0.0303 (13)0.0063 (12)0.0064 (12)0.0008 (10)
C330.080 (2)0.0401 (15)0.0275 (13)0.0166 (14)−0.0123 (14)0.0006 (11)
C340.0662 (19)0.0352 (14)0.0361 (14)0.0138 (13)−0.0232 (13)−0.0046 (11)
C350.0438 (15)0.0238 (11)0.0324 (12)0.0058 (10)−0.0140 (10)−0.0040 (9)
C360.0264 (12)0.0273 (11)0.0264 (11)−0.0014 (9)−0.0073 (9)−0.0061 (9)
C370.0325 (13)0.0310 (12)0.0280 (11)−0.0009 (10)−0.0082 (10)0.0002 (9)
C380.0386 (15)0.0456 (15)0.0340 (13)−0.0112 (12)−0.0061 (11)0.0052 (11)
C390.0254 (13)0.0633 (18)0.0392 (14)−0.0071 (12)−0.0036 (11)−0.0057 (13)
C400.0296 (14)0.0464 (15)0.0475 (15)0.0099 (11)−0.0118 (11)−0.0079 (12)
C410.0305 (13)0.0285 (12)0.0362 (12)0.0020 (10)−0.0072 (10)−0.0021 (10)
C420.0196 (12)0.0615 (17)0.0478 (15)−0.0042 (12)−0.0093 (11)−0.0006 (13)
C430.0256 (13)0.0412 (14)0.0474 (15)−0.0113 (11)−0.0001 (11)−0.0032 (11)
C440.0299 (14)0.0626 (18)0.0346 (13)−0.0076 (12)0.0037 (11)0.0024 (12)
C450.0238 (14)0.0660 (19)0.0571 (17)−0.0069 (13)0.0091 (12)−0.0330 (15)
C460.0219 (13)0.0410 (15)0.075 (2)0.0069 (11)0.0032 (13)−0.0006 (14)
C470.0242 (11)0.0277 (11)0.0243 (10)0.0024 (9)−0.0053 (9)−0.0066 (9)
C480.0319 (13)0.0340 (12)0.0275 (11)−0.0047 (10)−0.0079 (10)0.0004 (9)
C490.0434 (15)0.0470 (15)0.0322 (13)0.0009 (12)−0.0171 (11)0.0045 (11)
C500.0349 (14)0.0578 (17)0.0369 (13)0.0040 (12)−0.0183 (11)−0.0044 (12)
C510.0289 (13)0.0473 (15)0.0417 (14)−0.0077 (11)−0.0103 (11)−0.0068 (11)
C520.0300 (13)0.0311 (12)0.0356 (12)−0.0040 (10)−0.0099 (10)−0.0010 (10)
C530.0250 (12)0.0256 (11)0.0308 (11)−0.0001 (9)−0.0092 (9)−0.0016 (9)
C540.0458 (15)0.0290 (12)0.0336 (13)−0.0045 (11)−0.0075 (11)−0.0035 (10)
C550.0462 (16)0.0410 (14)0.0394 (14)−0.0019 (12)−0.0056 (12)−0.0151 (11)
C560.0575 (18)0.0347 (14)0.0636 (18)0.0151 (13)−0.0273 (14)−0.0191 (13)
C570.107 (3)0.0284 (14)0.0565 (18)0.0152 (15)−0.0359 (18)−0.0006 (12)
C580.071 (2)0.0315 (13)0.0357 (14)0.0070 (13)−0.0168 (13)0.0007 (11)
C590.0301 (12)0.0248 (11)0.0250 (11)−0.0030 (9)−0.0065 (9)−0.0027 (8)
C600.0310 (13)0.0286 (12)0.0297 (12)−0.0015 (10)−0.0049 (10)−0.0018 (9)
C610.0370 (14)0.0426 (14)0.0309 (12)−0.0016 (11)0.0019 (11)0.0018 (10)
C620.0529 (17)0.0464 (15)0.0243 (12)−0.0066 (12)−0.0039 (11)0.0024 (10)
C630.0465 (16)0.0433 (14)0.0316 (13)−0.0086 (12)−0.0171 (11)0.0033 (10)
C640.0326 (13)0.0360 (13)0.0314 (12)−0.0078 (10)−0.0095 (10)0.0010 (10)
C650.0248 (12)0.0265 (11)0.0362 (12)−0.0033 (9)−0.0123 (9)−0.0007 (9)
C660.0391 (14)0.0317 (12)0.0358 (13)−0.0020 (10)−0.0133 (11)−0.0026 (10)
C670.0578 (18)0.0409 (15)0.0402 (14)−0.0072 (13)−0.0235 (13)0.0042 (11)
C680.0481 (16)0.0302 (13)0.0611 (17)−0.0048 (12)−0.0324 (14)0.0060 (12)
C690.0331 (14)0.0293 (13)0.0652 (18)0.0029 (10)−0.0165 (12)−0.0053 (12)
C700.0305 (13)0.0348 (13)0.0401 (13)−0.0005 (10)−0.0093 (10)−0.0032 (10)
C710.0237 (12)0.0290 (12)0.0308 (11)0.0000 (9)−0.0071 (9)−0.0043 (9)
C720.0391 (14)0.0351 (13)0.0380 (13)−0.0092 (11)−0.0176 (11)0.0050 (10)
C730.0520 (17)0.0374 (14)0.0551 (16)−0.0168 (12)−0.0279 (13)0.0034 (12)
C740.0446 (16)0.0446 (15)0.0471 (15)−0.0064 (12)−0.0263 (12)−0.0017 (12)
C750.0396 (15)0.0400 (14)0.0398 (13)0.0022 (11)−0.0180 (11)0.0024 (11)
C760.0366 (14)0.0284 (12)0.0406 (13)−0.0023 (10)−0.0144 (11)−0.0018 (10)
C770.0261 (12)0.0230 (11)0.0329 (12)0.0005 (9)−0.0050 (9)−0.0040 (9)
C780.0319 (14)0.0466 (15)0.0340 (13)−0.0003 (11)−0.0064 (10)−0.0038 (11)
C790.0403 (16)0.0561 (17)0.0369 (14)0.0023 (13)0.0000 (12)−0.0023 (12)
C800.0288 (14)0.0478 (16)0.0521 (16)0.0012 (12)0.0049 (12)−0.0035 (12)
C810.0261 (13)0.0438 (15)0.0551 (16)0.0017 (11)−0.0112 (11)−0.0073 (12)
C820.0290 (13)0.0349 (13)0.0351 (13)0.0008 (10)−0.0058 (10)−0.0056 (10)
Co10.02439 (16)0.02577 (15)0.02583 (15)0.00209 (12)−0.00964 (12)−0.00409 (12)
Co20.01960 (16)0.02612 (15)0.02680 (15)−0.00197 (12)−0.00350 (12)−0.00282 (12)
P10.0264 (3)0.0239 (3)0.0257 (3)0.0022 (2)−0.0089 (2)−0.0032 (2)
P20.0242 (3)0.0225 (3)0.0229 (3)0.0000 (2)−0.0056 (2)−0.0020 (2)
P30.0224 (3)0.0236 (3)0.0225 (3)−0.0010 (2)−0.0056 (2)−0.0013 (2)
P40.0230 (3)0.0252 (3)0.0271 (3)−0.0013 (2)−0.0066 (2)−0.0026 (2)

Geometric parameters (Å, °)

C83—C841.426 (5)C34—C351.387 (3)
C83—H83A0.9800C34—H34A0.9500
C83—H83B0.9800C35—H35A0.9500
C83—H83C0.9800C36—C411.389 (3)
C85—C841.427 (5)C36—C371.391 (3)
C85—C861.429 (5)C36—P21.840 (2)
C85—H85A0.9900C37—C381.386 (3)
C85—H85B0.9900C37—H37A0.9500
C86—C871.423 (12)C38—C391.379 (4)
C86—H86A0.9900C38—H38A0.9500
C86—H86B0.9900C39—C401.375 (4)
C87—C881.429 (5)C39—H39A0.9500
C87—H87A0.9900C40—C411.383 (3)
C87—H87B0.9900C40—H40A0.9500
C88—H88A0.9800C41—H41A0.9500
C88—H88B0.9800C42—C461.390 (4)
C88—H88C0.9800C42—C431.412 (4)
C84—C891.551 (8)C42—Co22.082 (2)
C84—H84A0.9900C42—H42A0.9500
C84—H84B0.9900C43—C441.414 (4)
C84—H84C0.9800C43—Co22.053 (2)
C84—H84D0.9800C43—H43A0.9500
C84—H84E0.9800C44—C451.390 (4)
C89—C901.3900C44—Co22.115 (2)
C89—C941.3900C44—H44A0.9500
C90—C911.3900C45—C461.419 (4)
C90—H900.9500C45—Co22.075 (2)
C91—C921.3900C45—H45A0.9500
C91—H910.9500C46—Co22.072 (3)
C92—C931.3900C46—H46A0.9500
C92—H920.9500C47—C481.389 (3)
C93—C941.3900C47—C521.394 (3)
C93—H930.9500C47—P31.835 (2)
C94—H940.9500C48—C491.380 (3)
C1—C51.399 (4)C48—H48A0.9500
C1—C21.413 (4)C49—C501.380 (4)
C1—Co12.114 (2)C49—H49A0.9500
C1—H1A0.9500C50—C511.377 (4)
C2—C31.412 (4)C50—H50A0.9500
C2—Co12.057 (2)C51—C521.374 (3)
C2—H2A0.9500C51—H51A0.9500
C3—C41.400 (4)C52—H52A0.9500
C3—Co12.085 (2)C53—C581.381 (3)
C3—H3A0.9500C53—C541.387 (3)
C4—C51.419 (4)C53—P31.853 (2)
C4—Co12.078 (2)C54—C551.375 (3)
C4—H4A0.9500C54—H54A0.9500
C5—Co12.077 (2)C55—C561.367 (4)
C5—H5A0.9500C55—H55A0.9500
C6—C71.390 (3)C56—C571.368 (4)
C6—C111.396 (3)C56—H56A0.9500
C6—P11.843 (2)C57—C581.382 (4)
C7—C81.391 (4)C57—H57A0.9500
C7—H7A0.9500C58—H58A0.9500
C8—C91.374 (4)C59—C601.387 (3)
C8—H8A0.9500C59—C641.401 (3)
C9—C101.377 (4)C59—P31.839 (2)
C9—H9A0.9500C60—C611.390 (3)
C10—C111.380 (3)C60—H60A0.9500
C10—H10B0.9500C61—C621.371 (4)
C11—H11A0.9500C61—H61A0.9500
C12—C171.389 (3)C62—C631.379 (4)
C12—C131.394 (3)C62—H62A0.9500
C12—P11.847 (2)C63—C641.378 (3)
C13—C141.386 (3)C63—H63A0.9500
C13—H13A0.9500C64—H64A0.9500
C14—C151.373 (4)C65—C661.381 (3)
C14—H14A0.9500C65—C701.397 (3)
C15—C161.368 (4)C65—P41.851 (2)
C15—H15A0.9500C66—C671.391 (3)
C16—C171.387 (3)C66—H66A0.9500
C16—H16A0.9500C67—C681.377 (4)
C17—H17A0.9500C67—H67A0.9500
C18—C231.387 (3)C68—C691.373 (4)
C18—C191.392 (3)C68—H68A0.9500
C18—P11.845 (2)C69—C701.385 (3)
C19—C201.382 (3)C69—H69A0.9500
C19—H19A0.9500C70—H70A0.9500
C20—C211.381 (4)C71—C721.391 (3)
C20—H20A0.9500C71—C761.397 (3)
C21—C221.366 (4)C71—P41.841 (2)
C21—H21A0.9500C72—C731.382 (3)
C22—C231.383 (4)C72—H72A0.9500
C22—H22A0.9500C73—C741.379 (4)
C23—H23A0.9500C73—H73A0.9500
C24—C291.380 (3)C74—C751.376 (3)
C24—C251.389 (3)C74—H74A0.9500
C24—P21.856 (2)C75—C761.380 (3)
C25—C261.382 (3)C75—H75A0.9500
C25—H25A0.9500C76—H76A0.9500
C26—C271.373 (4)C77—C781.382 (3)
C26—H26A0.9500C77—C821.393 (3)
C27—C281.372 (4)C77—P41.854 (2)
C27—H27A0.9500C78—C791.392 (3)
C28—C291.386 (4)C78—H78A0.9500
C28—H28A0.9500C79—C801.373 (4)
C29—H29A0.9500C79—H79A0.9500
C30—C351.385 (3)C80—C811.379 (4)
C30—C311.400 (3)C80—H80A0.9500
C30—P21.840 (2)C81—C821.381 (3)
C31—C321.381 (3)C81—H81A0.9500
C31—H31A0.9500C82—H82A0.9500
C32—C331.380 (4)Co1—P22.1246 (6)
C32—H32A0.9500Co1—P12.1296 (6)
C33—C341.368 (4)Co2—P32.1204 (6)
C33—H33A0.9500Co2—P42.1371 (6)
C84—C83—H83A109.5C41—C40—H40A119.8
C84—C83—H83B109.5C40—C41—C36120.8 (2)
H83A—C83—H83B109.5C40—C41—H41A119.6
C84—C83—H83C109.5C36—C41—H41A119.6
H83A—C83—H83C109.5C46—C42—C43107.7 (2)
H83B—C83—H83C109.5C46—C42—Co270.09 (15)
C84—C85—C86117.5 (7)C43—C42—Co268.96 (14)
C84—C85—H85A107.9C46—C42—H42A126.2
C86—C85—H85A107.9C43—C42—H42A126.2
C84—C85—H85B107.9Co2—C42—H42A126.4
C86—C85—H85B107.9C42—C43—C44108.6 (2)
H85A—C85—H85B107.2C42—C43—Co271.13 (14)
C87—C86—C85126.4 (8)C44—C43—Co272.54 (14)
C87—C86—H86A105.7C42—C43—H43A125.7
C85—C86—H86A105.7C44—C43—H43A125.7
C87—C86—H86B105.7Co2—C43—H43A122.3
C85—C86—H86B105.7C45—C44—C43106.8 (2)
H86A—C86—H86B106.2C45—C44—Co269.08 (14)
C86—C87—C88117.3 (9)C43—C44—Co267.84 (13)
C86—C87—H87A108.0C45—C44—H44A126.6
C88—C87—H87A108.0C43—C44—H44A126.6
C86—C87—H87B108.0Co2—C44—H44A128.0
C88—C87—H87B108.0C44—C45—C46109.0 (2)
H87A—C87—H87B107.2C44—C45—Co272.18 (14)
C87—C88—H88A109.5C46—C45—Co269.89 (14)
C87—C88—H88B109.5C44—C45—H45A125.5
H88A—C88—H88B109.5C46—C45—H45A125.5
C87—C88—H88C109.5Co2—C45—H45A124.0
H88A—C88—H88C109.5C42—C46—C45107.7 (2)
H88B—C88—H88C109.5C42—C46—Co270.81 (15)
C83—C84—C85118.6 (6)C45—C46—Co270.09 (15)
C83—C84—C89145.0 (7)C42—C46—H46A126.1
C83—C84—H84A107.7C45—C46—H46A126.1
C85—C84—H84A107.7Co2—C46—H46A124.6
C89—C84—H84A96.8C48—C47—C52118.0 (2)
C83—C84—H84B107.7C48—C47—P3117.96 (17)
C85—C84—H84B107.7C52—C47—P3123.96 (17)
C89—C84—H84B87.8C49—C48—C47120.9 (2)
H84A—C84—H84B107.1C49—C48—H48A119.6
C83—C84—H84C104.1C47—C48—H48A119.6
C85—C84—H84C136.8C48—C49—C50120.3 (2)
C89—C84—H84C109.5C48—C49—H49A119.9
H84A—C84—H84C61.6C50—C49—H49A119.9
H84B—C84—H84C49.0C51—C50—C49119.5 (2)
C83—C84—H84D66.7C51—C50—H50A120.2
C85—C84—H84D93.8C49—C50—H50A120.2
C89—C84—H84D109.5C52—C51—C50120.4 (2)
H84A—C84—H84D57.4C52—C51—H51A119.8
H84B—C84—H84D157.2C50—C51—H51A119.8
H84C—C84—H84D109.5C51—C52—C47120.9 (2)
C83—C84—H84E48.1C51—C52—H52A119.5
C85—C84—H84E95.4C47—C52—H52A119.5
C89—C84—H84E109.5C58—C53—C54117.3 (2)
H84A—C84—H84E153.6C58—C53—P3124.11 (18)
H84B—C84—H84E76.9C54—C53—P3118.46 (16)
H84C—C84—H84E109.5C55—C54—C53121.5 (2)
H84D—C84—H84E109.5C55—C54—H54A119.2
C90—C89—C94120.0C53—C54—H54A119.2
C90—C89—C84115.8 (6)C56—C55—C54120.3 (2)
C94—C89—C84124.2 (6)C56—C55—H55A119.9
C91—C90—C89120.0C54—C55—H55A119.9
C91—C90—H90120.0C55—C56—C57119.2 (2)
C89—C90—H90120.0C55—C56—H56A120.4
C90—C91—C92120.0C57—C56—H56A120.4
C90—C91—H91120.0C56—C57—C58120.7 (3)
C92—C91—H91120.0C56—C57—H57A119.7
C91—C92—C93120.0C58—C57—H57A119.7
C91—C92—H92120.0C53—C58—C57120.9 (2)
C93—C92—H92120.0C53—C58—H58A119.5
C94—C93—C92120.0C57—C58—H58A119.5
C94—C93—H93120.0C60—C59—C64118.4 (2)
C92—C93—H93120.0C60—C59—P3126.43 (18)
C93—C94—C89120.0C64—C59—P3115.06 (17)
C93—C94—H94120.0C59—C60—C61120.0 (2)
C89—C94—H94120.0C59—C60—H60A120.0
C5—C1—C2106.7 (2)C61—C60—H60A120.0
C5—C1—Co169.05 (14)C62—C61—C60120.8 (2)
C2—C1—Co168.04 (13)C62—C61—H61A119.6
C5—C1—H1A126.6C60—C61—H61A119.6
C2—C1—H1A126.6C61—C62—C63120.0 (2)
Co1—C1—H1A127.8C61—C62—H62A120.0
C3—C2—C1109.1 (2)C63—C62—H62A120.0
C3—C2—Co171.14 (14)C64—C63—C62119.8 (2)
C1—C2—Co172.38 (14)C64—C63—H63A120.1
C3—C2—H2A125.5C62—C63—H63A120.1
C1—C2—H2A125.5C63—C64—C59121.0 (2)
Co1—C2—H2A122.6C63—C64—H64A119.5
C4—C3—C2107.4 (2)C59—C64—H64A119.5
C4—C3—Co170.07 (14)C66—C65—C70118.2 (2)
C2—C3—Co169.02 (14)C66—C65—P4120.40 (17)
C4—C3—H3A126.3C70—C65—P4121.32 (17)
C2—C3—H3A126.3C65—C66—C67120.8 (2)
Co1—C3—H3A126.1C65—C66—H66A119.6
C3—C4—C5107.9 (2)C67—C66—H66A119.6
C3—C4—Co170.63 (14)C68—C67—C66120.4 (2)
C5—C4—Co169.97 (14)C68—C67—H67A119.8
C3—C4—H4A126.1C66—C67—H67A119.8
C5—C4—H4A126.1C69—C68—C67119.6 (2)
Co1—C4—H4A124.9C69—C68—H68A120.2
C1—C5—C4108.8 (2)C67—C68—H68A120.2
C1—C5—Co171.96 (14)C68—C69—C70120.3 (2)
C4—C5—Co170.08 (14)C68—C69—H69A119.9
C1—C5—H5A125.6C70—C69—H69A119.9
C4—C5—H5A125.6C69—C70—C65120.8 (2)
Co1—C5—H5A124.0C69—C70—H70A119.6
C7—C6—C11117.8 (2)C65—C70—H70A119.6
C7—C6—P1124.03 (18)C72—C71—C76117.7 (2)
C11—C6—P1118.06 (17)C72—C71—P4124.18 (17)
C6—C7—C8120.5 (2)C76—C71—P4117.97 (17)
C6—C7—H7A119.7C73—C72—C71120.9 (2)
C8—C7—H7A119.7C73—C72—H72A119.6
C9—C8—C7120.5 (2)C71—C72—H72A119.6
C9—C8—H8A119.7C74—C73—C72120.6 (2)
C7—C8—H8A119.7C74—C73—H73A119.7
C8—C9—C10119.7 (2)C72—C73—H73A119.7
C8—C9—H9A120.1C75—C74—C73119.4 (2)
C10—C9—H9A120.1C75—C74—H74A120.3
C9—C10—C11120.0 (2)C73—C74—H74A120.3
C9—C10—H10B120.0C74—C75—C76120.3 (2)
C11—C10—H10B120.0C74—C75—H75A119.8
C10—C11—C6121.3 (2)C76—C75—H75A119.8
C10—C11—H11A119.4C75—C76—C71121.1 (2)
C6—C11—H11A119.4C75—C76—H76A119.5
C17—C12—C13118.4 (2)C71—C76—H76A119.5
C17—C12—P1120.35 (18)C78—C77—C82117.6 (2)
C13—C12—P1121.01 (17)C78—C77—P4124.57 (19)
C14—C13—C12120.7 (2)C82—C77—P4117.79 (17)
C14—C13—H13A119.7C77—C78—C79121.1 (3)
C12—C13—H13A119.7C77—C78—H78A119.4
C15—C14—C13120.0 (3)C79—C78—H78A119.4
C15—C14—H14A120.0C80—C79—C78120.2 (3)
C13—C14—H14A120.0C80—C79—H79A119.9
C16—C15—C14120.0 (2)C78—C79—H79A119.9
C16—C15—H15A120.0C79—C80—C81119.6 (2)
C14—C15—H15A120.0C79—C80—H80A120.2
C15—C16—C17120.7 (2)C81—C80—H80A120.2
C15—C16—H16A119.7C80—C81—C82120.0 (3)
C17—C16—H16A119.7C80—C81—H81A120.0
C16—C17—C12120.2 (2)C82—C81—H81A120.0
C16—C17—H17A119.9C81—C82—C77121.4 (2)
C12—C17—H17A119.9C81—C82—H82A119.3
C23—C18—C19117.9 (2)C77—C82—H82A119.3
C23—C18—P1124.55 (19)C2—Co1—C566.18 (10)
C19—C18—P1117.55 (17)C2—Co1—C466.42 (10)
C20—C19—C18121.2 (2)C5—Co1—C439.95 (11)
C20—C19—H19A119.4C2—Co1—C339.83 (10)
C18—C19—H19A119.4C5—Co1—C366.41 (11)
C21—C20—C19119.8 (3)C4—Co1—C339.30 (10)
C21—C20—H20A120.1C2—Co1—C139.58 (10)
C19—C20—H20A120.1C5—Co1—C138.99 (10)
C22—C21—C20119.5 (3)C4—Co1—C166.27 (11)
C22—C21—H21A120.2C3—Co1—C166.44 (11)
C20—C21—H21A120.2C2—Co1—P2166.40 (7)
C21—C22—C23120.9 (3)C5—Co1—P2100.57 (8)
C21—C22—H22A119.5C4—Co1—P2101.69 (8)
C23—C22—H22A119.5C3—Co1—P2133.54 (8)
C22—C23—C18120.6 (3)C1—Co1—P2130.84 (7)
C22—C23—H23A119.7C2—Co1—P194.02 (7)
C18—C23—H23A119.7C5—Co1—P1156.20 (8)
C29—C24—C25117.9 (2)C4—Co1—P1144.99 (9)
C29—C24—P2124.46 (17)C3—Co1—P1107.39 (8)
C25—C24—P2117.60 (16)C1—Co1—P1117.21 (8)
C26—C25—C24121.3 (2)P2—Co1—P199.57 (2)
C26—C25—H25A119.4C43—Co2—C4666.49 (11)
C24—C25—H25A119.4C43—Co2—C4566.10 (10)
C27—C26—C25120.1 (2)C46—Co2—C4540.02 (12)
C27—C26—H26A119.9C43—Co2—C4239.91 (10)
C25—C26—H26A119.9C46—Co2—C4239.11 (11)
C28—C27—C26119.3 (2)C45—Co2—C4266.18 (11)
C28—C27—H27A120.4C43—Co2—C4439.63 (10)
C26—C27—H27A120.4C46—Co2—C4466.19 (11)
C27—C28—C29120.8 (2)C45—Co2—C4438.74 (11)
C27—C28—H28A119.6C42—Co2—C4466.30 (11)
C29—C28—H28A119.6C43—Co2—P3167.16 (8)
C24—C29—C28120.6 (2)C46—Co2—P3101.83 (8)
C24—C29—H29A119.7C45—Co2—P3101.65 (8)
C28—C29—H29A119.7C42—Co2—P3133.01 (8)
C35—C30—C31118.3 (2)C44—Co2—P3132.03 (8)
C35—C30—P2126.51 (18)C43—Co2—P493.12 (7)
C31—C30—P2115.13 (18)C46—Co2—P4143.73 (9)
C32—C31—C30120.6 (3)C45—Co2—P4155.80 (9)
C32—C31—H31A119.7C42—Co2—P4106.35 (8)
C30—C31—H31A119.7C44—Co2—P4117.11 (8)
C33—C32—C31120.1 (3)P3—Co2—P499.67 (2)
C33—C32—H32A119.9C6—P1—C18102.02 (10)
C31—C32—H32A119.9C6—P1—C12102.62 (10)
C34—C33—C32120.0 (2)C18—P1—C1296.25 (10)
C34—C33—H33A120.0C6—P1—Co1110.41 (7)
C32—C33—H33A120.0C18—P1—Co1124.20 (7)
C33—C34—C35120.4 (3)C12—P1—Co1118.20 (7)
C33—C34—H34A119.8C36—P2—C30105.96 (10)
C35—C34—H34A119.8C36—P2—C2498.20 (10)
C30—C35—C34120.6 (2)C30—P2—C24100.97 (10)
C30—C35—H35A119.7C36—P2—Co1118.68 (7)
C34—C35—H35A119.7C30—P2—Co1114.65 (7)
C41—C36—C37118.3 (2)C24—P2—Co1115.79 (7)
C41—C36—P2123.68 (17)C47—P3—C59106.47 (10)
C37—C36—P2117.99 (17)C47—P3—C5397.20 (10)
C38—C37—C36120.6 (2)C59—P3—C53100.74 (10)
C38—C37—H37A119.7C47—P3—Co2118.37 (7)
C36—C37—H37A119.7C59—P3—Co2113.12 (7)
C39—C38—C37120.4 (2)C53—P3—Co2118.42 (7)
C39—C38—H38A119.8C71—P4—C65103.07 (10)
C37—C38—H38A119.8C71—P4—C77101.79 (10)
C40—C39—C38119.4 (2)C65—P4—C7796.51 (10)
C40—C39—H39A120.3C71—P4—Co2109.03 (7)
C38—C39—H39A120.3C65—P4—Co2117.94 (7)
C39—C40—C41120.5 (2)C77—P4—Co2125.42 (7)
C39—C40—H40A119.8

Footnotes

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: IM2092).

References

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  • Gutnov, A., Heller, B., Drexler, H.-J., Spannenberg, A. & Oehme, G. (2003). Organometallics, 22, 1550–1553.
  • Harlow, R. L., McKinney, R. J. & Whitney, J. F. (1983). Organometallics, 2, 1839–1842.
  • Jonas, K., Deffense, E. & Habermann, D. (1981). Angew. Chem. Int. Ed. Engl.22, 716–717.
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