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The title complex, [RhCl3(PPh3)2(NCCD3)], crystallizes with two independent, but essentially identical, mol­ecules in the asymmetric unit. Rh is octahedrally coordinated by three mer-chloro ligands, two mutually trans-phosphines, and a mol­ecule of the NMR solvent perdeuteroaceto­nitrile.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536802012254/bt6163sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536802012254/bt6163Isup2.hkl
Contains datablock I

CCDC reference: 193705

Key indicators

  • Single-crystal X-ray study
  • T = 160 K
  • Mean [sigma](C-C) = 0.009 Å
  • R factor = 0.053
  • wR factor = 0.121
  • Data-to-parameter ratio = 14.8

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry

General Notes

FORMU_01 There is a discrepancy between the atom counts in the _chemical_formula_sum and the formula from the _atom_site* data. Atom count from _chemical_formula_sum:C38 H30 Cl3 D3 N1 P2 Rh1 Atom count from the _atom_site data: C38 H33 Cl3 N1 P2 Rh1 CELLZ_01 From the CIF: _cell_formula_units_Z 8 From the CIF: _chemical_formula_sum C38 H30 Cl3 D3 N P2 Rh TEST: Compare cell contents of formula and atom_site data atom Z*formula cif sites diff C 304.00 304.00 0.00 H 240.00 264.00 -24.00 Cl 24.00 24.00 0.00 D 24.00 0.00 24.00 N 8.00 8.00 0.00 P 16.00 16.00 0.00 Rh 8.00 8.00 0.00 Difference between formula and atom_site contents detected. ALERT: Large difference may be due to a symmetry error - see SYMMG tests

Computing details top

Data collection: SMART (Siemens, 1994); cell refinement: local programs; data reduction: SAINT (Siemens, 1994); program(s) used to solve structure: SHELXTL (Sheldrick, 1997); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL and local programs.

trichloro(perdeuteroacetonitrile)bis(triphenylphosphine)rhodium(III) top
Crystal data top
[RhCl3(C18H15P)2(C2D3N)]F(000) = 3152
Mr = 777.85Dx = 1.505 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
a = 26.4006 (9) ÅCell parameters from 20658 reflections
b = 14.1098 (6) Åθ = 1.8–28.5°
c = 19.8335 (12) ŵ = 0.85 mm1
β = 111.666 (2)°T = 160 K
V = 6866.2 (6) Å3Block, orange
Z = 80.22 × 0.20 × 0.16 mm
Data collection top
Siemens SMART CCD
diffractometer
12063 independent reflections
Radiation source: fine-focus sealed tube9721 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.086
Detector resolution: 8.192 pixels mm-1θmax = 25.0°, θmin = 0.8°
ω rotation with narrow frames scansh = 3118
Absorption correction: multi-scan
(XPREP in SHELXTL; Sheldrick, 1997)
k = 1616
Tmin = 0.83, Tmax = 0.88l = 2323
35176 measured reflections
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.053H-atom parameters constrained
wR(F2) = 0.121 w = 1/[σ2(Fo2) + 28.998P]
where P = (Fo2 + 2Fc2)/3
S = 1.21(Δ/σ)max = 0.001
12063 reflectionsΔρmax = 0.95 e Å3
814 parametersΔρmin = 0.88 e Å3
0 restraintsExtinction correction: SHELXTL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.00013 (3)
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Rh10.045837 (15)0.24652 (3)0.05783 (2)0.01899 (11)
Cl10.04786 (6)0.41037 (10)0.03990 (8)0.0319 (3)
Cl20.04405 (5)0.07852 (9)0.06346 (7)0.0242 (3)
Cl30.06979 (5)0.27036 (9)0.15898 (6)0.0243 (3)
N10.02242 (17)0.2376 (4)0.0273 (2)0.0291 (11)
C10.0082 (3)0.2293 (5)0.0737 (3)0.0435 (16)
C20.0118 (4)0.2155 (8)0.1330 (4)0.074 (3)
H2A0.04480.25360.12360.111*
H2B0.01630.23550.17890.111*
H2C0.02030.14840.13590.111*
P10.14136 (5)0.24422 (10)0.01741 (7)0.0195 (3)
C30.1796 (2)0.3509 (4)0.0135 (3)0.0220 (11)
C40.1737 (2)0.4361 (4)0.0463 (3)0.0320 (13)
H40.14970.43910.07210.038*
C50.2026 (3)0.5155 (4)0.0412 (3)0.0376 (15)
H50.19850.57270.06400.045*
C60.2370 (3)0.5135 (4)0.0039 (3)0.0396 (15)
H60.25660.56870.00080.048*
C70.2430 (2)0.4305 (4)0.0292 (3)0.0335 (14)
H70.26690.42880.05510.040*
C80.2145 (2)0.3496 (4)0.0253 (3)0.0276 (12)
H80.21870.29310.04890.033*
C90.1518 (2)0.2221 (4)0.1130 (3)0.0272 (12)
C100.1262 (2)0.1420 (5)0.1267 (3)0.0352 (14)
H100.10640.10140.08760.042*
C110.1291 (3)0.1205 (6)0.1957 (4)0.0483 (19)
H110.11160.06540.20420.058*
C120.1577 (3)0.1800 (6)0.2529 (3)0.050 (2)
H120.15870.16730.30040.060*
C130.1846 (3)0.2574 (6)0.2404 (3)0.053 (2)
H130.20540.29630.28010.064*
C140.1820 (2)0.2805 (5)0.1702 (3)0.0372 (15)
H140.20050.33450.16210.045*
C150.1844 (2)0.1534 (4)0.0001 (3)0.0233 (11)
C160.1705 (2)0.1103 (4)0.0665 (3)0.0271 (12)
H160.13530.12020.10260.032*
C170.2077 (2)0.0519 (4)0.0811 (3)0.0366 (15)
H170.19760.02220.12720.044*
C180.2594 (2)0.0365 (4)0.0291 (3)0.0341 (14)
H180.28470.00350.03920.041*
C190.2733 (2)0.0804 (4)0.0374 (3)0.0299 (13)
H190.30860.07080.07310.036*
C200.2368 (2)0.1377 (4)0.0527 (3)0.0258 (12)
H200.24690.16680.09910.031*
P20.04758 (5)0.24824 (10)0.13843 (7)0.0212 (3)
C210.0980 (2)0.2169 (4)0.0986 (3)0.0296 (13)
C220.1476 (3)0.2647 (5)0.1173 (4)0.0431 (16)
H220.15400.31950.14720.052*
C230.1872 (3)0.2334 (5)0.0930 (5)0.0525 (19)
H230.22070.26670.10600.063*
C240.1783 (3)0.1531 (5)0.0495 (5)0.057 (2)
H240.20510.13290.03120.068*
C250.1303 (3)0.1030 (5)0.0331 (4)0.0408 (15)
H250.12430.04740.00410.049*
C260.0910 (2)0.1337 (4)0.0590 (3)0.0316 (13)
H260.05890.09720.04950.038*
C270.06710 (19)0.3661 (4)0.1778 (3)0.0214 (11)
C280.0723 (2)0.4418 (4)0.1353 (3)0.0285 (13)
H280.06860.43130.08640.034*
C290.0830 (2)0.5329 (4)0.1647 (3)0.0276 (12)
H290.08660.58430.13590.033*
C300.0884 (2)0.5484 (4)0.2362 (3)0.0316 (13)
H300.09630.61010.25650.038*
C310.0822 (2)0.4737 (4)0.2776 (3)0.0316 (13)
H310.08520.48460.32620.038*
C320.0716 (2)0.3830 (4)0.2490 (3)0.0250 (12)
H320.06740.33220.27800.030*
C330.0692 (2)0.1691 (4)0.2174 (3)0.0282 (13)
C340.1243 (2)0.1661 (5)0.2620 (4)0.0409 (16)
H340.14970.20350.25000.049*
C350.1425 (3)0.1094 (5)0.3234 (4)0.0449 (17)
H350.18000.11020.35360.054*
C360.1072 (2)0.0521 (5)0.3412 (3)0.0378 (15)
H360.12010.01300.38310.045*
C370.0528 (2)0.0524 (5)0.2973 (3)0.0382 (15)
H370.02810.01190.30820.046*
C380.0334 (2)0.1122 (4)0.2363 (3)0.0279 (12)
H380.00450.11380.20780.033*
Rh20.545782 (14)0.24312 (3)0.599891 (18)0.01381 (10)
Cl40.55814 (5)0.40511 (8)0.58182 (7)0.0211 (3)
Cl50.53843 (5)0.07534 (8)0.60854 (6)0.0169 (2)
Cl60.56515 (5)0.27404 (9)0.72291 (6)0.0186 (3)
N20.52469 (16)0.2249 (3)0.4930 (2)0.0193 (9)
C390.5116 (2)0.2122 (4)0.4326 (3)0.0220 (11)
C400.4935 (3)0.1935 (5)0.3550 (3)0.0412 (16)
H40A0.46250.23460.32900.062*
H40B0.48230.12700.34560.062*
H40C0.52340.20630.33830.062*
P30.63943 (5)0.22079 (9)0.61803 (7)0.0166 (3)
C410.6758 (2)0.1252 (4)0.6779 (3)0.0211 (11)
C420.6704 (2)0.1134 (5)0.7442 (3)0.0364 (15)
H420.64330.14790.75460.044*
C430.7041 (3)0.0519 (5)0.7950 (4)0.0490 (19)
H430.70010.04480.84040.059*
C440.7436 (2)0.0004 (4)0.7810 (3)0.0357 (14)
H440.76720.04070.81690.043*
C450.7483 (3)0.0091 (5)0.7157 (3)0.0416 (16)
H450.77470.02730.70520.050*
C460.7147 (3)0.0709 (5)0.6639 (3)0.0370 (15)
H460.71840.07620.61820.044*
C470.6447 (2)0.1908 (4)0.5316 (3)0.0214 (11)
C480.6259 (2)0.1019 (4)0.5020 (3)0.0284 (12)
H480.61360.05750.52860.034*
C490.6251 (2)0.0782 (5)0.4335 (3)0.0354 (14)
H490.61240.01750.41360.042*
C500.6428 (3)0.1432 (5)0.3942 (3)0.0416 (17)
H500.64250.12670.34760.050*
C510.6605 (3)0.2310 (5)0.4227 (3)0.0399 (16)
H510.67250.27510.39560.048*
C520.6613 (2)0.2565 (4)0.4910 (3)0.0306 (13)
H520.67290.31800.50990.037*
C530.6897 (2)0.3138 (4)0.6596 (3)0.0227 (11)
C540.7404 (2)0.3091 (4)0.6517 (3)0.0332 (13)
H540.74620.26530.61900.040*
C550.7823 (2)0.3700 (5)0.6929 (4)0.0414 (16)
H550.81660.36760.68770.050*
C560.7741 (2)0.4332 (4)0.7408 (3)0.0382 (15)
H560.80280.47410.76870.046*
C570.7247 (3)0.4369 (5)0.7481 (4)0.0414 (16)
H570.71920.48030.78140.050*
C580.6819 (2)0.3777 (4)0.7071 (3)0.0316 (13)
H580.64760.38160.71220.038*
P40.45247 (5)0.26227 (9)0.58441 (6)0.0161 (3)
C590.4242 (2)0.1853 (3)0.6360 (3)0.0202 (11)
C600.3678 (2)0.1854 (4)0.6181 (3)0.0313 (13)
H600.34480.21900.57650.038*
C610.3455 (3)0.1365 (5)0.6609 (4)0.0417 (16)
H610.30730.13790.64920.050*
C620.3783 (3)0.0855 (5)0.7206 (4)0.0428 (16)
H620.36270.05280.75000.051*
C630.4337 (2)0.0822 (4)0.7370 (3)0.0330 (13)
H630.45610.04590.77730.040*
C640.4570 (2)0.1315 (4)0.6955 (3)0.0250 (12)
H640.49520.12880.70740.030*
C650.4378 (2)0.3796 (3)0.6100 (3)0.0187 (10)
C660.4299 (2)0.3929 (4)0.6753 (3)0.0226 (11)
H660.43020.33960.70470.027*
C670.4218 (2)0.4828 (4)0.6975 (3)0.0301 (13)
H670.41670.49090.74210.036*
C680.4212 (2)0.5602 (4)0.6552 (3)0.0312 (13)
H680.41560.62180.67050.037*
C690.4288 (2)0.5485 (4)0.5904 (3)0.0273 (12)
H690.42740.60190.56060.033*
C700.4386 (2)0.4587 (4)0.5686 (3)0.0209 (11)
H700.44580.45150.52540.025*
C710.4048 (2)0.2421 (4)0.4909 (3)0.0234 (11)
C720.3680 (3)0.3088 (5)0.4506 (3)0.0409 (16)
H720.36650.36890.47120.049*
C730.3329 (3)0.2891 (5)0.3794 (4)0.054 (2)
H730.30750.33530.35190.065*
C740.3357 (3)0.2017 (5)0.3499 (3)0.0427 (16)
H740.31220.18780.30160.051*
C750.3722 (2)0.1345 (4)0.3894 (3)0.0332 (14)
H750.37390.07460.36850.040*
C760.4066 (2)0.1543 (4)0.4603 (3)0.0239 (11)
H760.43150.10750.48790.029*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Rh10.0171 (2)0.0192 (2)0.0215 (2)0.00385 (16)0.00810 (16)0.00266 (17)
Cl10.0277 (7)0.0229 (7)0.0421 (8)0.0026 (6)0.0094 (6)0.0004 (6)
Cl20.0213 (6)0.0214 (6)0.0297 (7)0.0050 (5)0.0090 (5)0.0044 (5)
Cl30.0218 (6)0.0313 (7)0.0215 (6)0.0013 (5)0.0099 (5)0.0033 (5)
N10.020 (2)0.052 (3)0.019 (2)0.002 (2)0.0111 (19)0.001 (2)
C10.033 (3)0.061 (5)0.036 (3)0.001 (3)0.011 (3)0.002 (3)
C20.071 (5)0.124 (8)0.044 (4)0.010 (6)0.039 (4)0.010 (5)
P10.0179 (6)0.0227 (7)0.0180 (6)0.0017 (6)0.0067 (5)0.0008 (6)
C30.019 (3)0.019 (3)0.023 (3)0.001 (2)0.002 (2)0.000 (2)
C40.028 (3)0.030 (3)0.036 (3)0.001 (3)0.009 (3)0.004 (3)
C50.040 (4)0.028 (3)0.039 (3)0.002 (3)0.008 (3)0.007 (3)
C60.034 (3)0.028 (3)0.048 (4)0.012 (3)0.004 (3)0.002 (3)
C70.032 (3)0.037 (4)0.029 (3)0.004 (3)0.010 (3)0.007 (3)
C80.029 (3)0.028 (3)0.028 (3)0.000 (2)0.013 (2)0.002 (2)
C90.024 (3)0.037 (3)0.021 (3)0.017 (3)0.009 (2)0.005 (2)
C100.028 (3)0.050 (4)0.030 (3)0.012 (3)0.014 (3)0.009 (3)
C110.042 (4)0.071 (5)0.041 (4)0.023 (4)0.026 (3)0.025 (4)
C120.046 (4)0.080 (6)0.029 (3)0.041 (4)0.019 (3)0.021 (4)
C130.053 (4)0.072 (5)0.028 (3)0.036 (4)0.007 (3)0.006 (4)
C140.037 (3)0.049 (4)0.022 (3)0.019 (3)0.006 (2)0.001 (3)
C150.020 (3)0.025 (3)0.029 (3)0.002 (2)0.013 (2)0.005 (2)
C160.025 (3)0.024 (3)0.031 (3)0.003 (2)0.008 (2)0.005 (2)
C170.030 (3)0.038 (4)0.046 (4)0.002 (3)0.019 (3)0.016 (3)
C180.032 (3)0.024 (3)0.053 (4)0.006 (3)0.024 (3)0.002 (3)
C190.023 (3)0.026 (3)0.042 (3)0.007 (2)0.013 (3)0.009 (3)
C200.025 (3)0.026 (3)0.026 (3)0.002 (2)0.009 (2)0.004 (2)
P20.0162 (6)0.0191 (7)0.0290 (7)0.0026 (5)0.0091 (5)0.0045 (6)
C210.022 (3)0.024 (3)0.046 (3)0.005 (2)0.017 (3)0.005 (3)
C220.038 (4)0.034 (4)0.062 (4)0.005 (3)0.023 (3)0.011 (3)
C230.039 (4)0.033 (4)0.097 (6)0.001 (3)0.038 (4)0.004 (4)
C240.048 (4)0.037 (4)0.106 (6)0.002 (3)0.052 (5)0.013 (4)
C250.037 (4)0.029 (3)0.055 (4)0.000 (3)0.016 (3)0.014 (3)
C260.029 (3)0.026 (3)0.041 (3)0.002 (3)0.014 (3)0.007 (3)
C270.011 (2)0.020 (3)0.033 (3)0.002 (2)0.007 (2)0.009 (2)
C280.026 (3)0.029 (3)0.030 (3)0.002 (2)0.011 (2)0.004 (2)
C290.020 (3)0.023 (3)0.039 (3)0.008 (2)0.011 (2)0.003 (2)
C300.022 (3)0.024 (3)0.048 (4)0.001 (2)0.012 (3)0.010 (3)
C310.023 (3)0.035 (3)0.034 (3)0.004 (3)0.008 (2)0.012 (3)
C320.021 (3)0.026 (3)0.027 (3)0.001 (2)0.007 (2)0.003 (2)
C330.023 (3)0.020 (3)0.036 (3)0.007 (2)0.004 (2)0.004 (2)
C340.022 (3)0.037 (4)0.056 (4)0.002 (3)0.006 (3)0.009 (3)
C350.024 (3)0.044 (4)0.051 (4)0.000 (3)0.005 (3)0.014 (3)
C360.033 (3)0.039 (4)0.034 (3)0.003 (3)0.004 (3)0.007 (3)
C370.027 (3)0.047 (4)0.038 (3)0.002 (3)0.009 (3)0.007 (3)
C380.019 (3)0.033 (3)0.027 (3)0.001 (2)0.002 (2)0.005 (2)
Rh20.01454 (19)0.0138 (2)0.01279 (18)0.00040 (15)0.00472 (14)0.00056 (15)
Cl40.0239 (6)0.0144 (6)0.0252 (6)0.0002 (5)0.0093 (5)0.0050 (5)
Cl50.0205 (6)0.0111 (5)0.0188 (6)0.0015 (5)0.0070 (5)0.0022 (4)
Cl60.0189 (6)0.0241 (6)0.0128 (5)0.0009 (5)0.0058 (4)0.0013 (5)
N20.015 (2)0.021 (2)0.022 (2)0.0001 (18)0.0067 (17)0.0002 (18)
C390.021 (3)0.024 (3)0.024 (3)0.001 (2)0.012 (2)0.003 (2)
C400.038 (4)0.068 (5)0.014 (3)0.003 (3)0.005 (2)0.005 (3)
P30.0156 (6)0.0179 (6)0.0166 (6)0.0016 (5)0.0062 (5)0.0017 (5)
C410.018 (3)0.020 (3)0.024 (3)0.002 (2)0.007 (2)0.003 (2)
C420.038 (3)0.043 (4)0.036 (3)0.015 (3)0.023 (3)0.018 (3)
C430.042 (4)0.066 (5)0.042 (4)0.021 (4)0.019 (3)0.027 (4)
C440.024 (3)0.035 (3)0.042 (3)0.009 (3)0.005 (3)0.018 (3)
C450.040 (4)0.037 (4)0.044 (4)0.019 (3)0.012 (3)0.007 (3)
C460.042 (4)0.040 (4)0.030 (3)0.018 (3)0.013 (3)0.006 (3)
C470.019 (3)0.029 (3)0.018 (2)0.009 (2)0.008 (2)0.005 (2)
C480.033 (3)0.028 (3)0.026 (3)0.004 (3)0.012 (2)0.000 (2)
C490.039 (3)0.040 (4)0.023 (3)0.013 (3)0.007 (3)0.005 (3)
C500.047 (4)0.060 (5)0.020 (3)0.029 (4)0.015 (3)0.009 (3)
C510.044 (4)0.048 (4)0.035 (3)0.024 (3)0.022 (3)0.020 (3)
C520.038 (3)0.025 (3)0.033 (3)0.014 (3)0.018 (3)0.011 (3)
C530.015 (3)0.020 (3)0.031 (3)0.002 (2)0.006 (2)0.006 (2)
C540.024 (3)0.032 (3)0.043 (3)0.001 (3)0.011 (3)0.005 (3)
C550.022 (3)0.041 (4)0.061 (4)0.001 (3)0.015 (3)0.008 (3)
C560.025 (3)0.032 (3)0.047 (4)0.011 (3)0.001 (3)0.009 (3)
C570.036 (4)0.030 (3)0.049 (4)0.005 (3)0.005 (3)0.009 (3)
C580.025 (3)0.029 (3)0.040 (3)0.003 (3)0.011 (3)0.004 (3)
P40.0155 (6)0.0157 (6)0.0159 (6)0.0018 (5)0.0043 (5)0.0003 (5)
C590.022 (3)0.013 (2)0.028 (3)0.004 (2)0.012 (2)0.003 (2)
C600.024 (3)0.030 (3)0.041 (3)0.002 (3)0.014 (3)0.008 (3)
C610.026 (3)0.047 (4)0.057 (4)0.007 (3)0.021 (3)0.000 (3)
C620.040 (4)0.047 (4)0.052 (4)0.013 (3)0.029 (3)0.009 (3)
C630.034 (3)0.037 (3)0.030 (3)0.006 (3)0.014 (3)0.004 (3)
C640.023 (3)0.028 (3)0.026 (3)0.005 (2)0.011 (2)0.001 (2)
C650.017 (2)0.016 (3)0.018 (2)0.001 (2)0.001 (2)0.003 (2)
C660.027 (3)0.022 (3)0.018 (3)0.001 (2)0.008 (2)0.003 (2)
C670.034 (3)0.030 (3)0.020 (3)0.002 (3)0.003 (2)0.008 (2)
C680.032 (3)0.021 (3)0.037 (3)0.002 (2)0.009 (3)0.007 (3)
C690.033 (3)0.013 (3)0.034 (3)0.003 (2)0.010 (3)0.005 (2)
C700.023 (3)0.021 (3)0.019 (3)0.006 (2)0.009 (2)0.003 (2)
C710.021 (3)0.030 (3)0.018 (2)0.000 (2)0.006 (2)0.003 (2)
C720.036 (4)0.035 (4)0.037 (3)0.016 (3)0.002 (3)0.007 (3)
C730.050 (4)0.045 (4)0.037 (4)0.018 (4)0.019 (3)0.008 (3)
C740.040 (4)0.047 (4)0.025 (3)0.003 (3)0.007 (3)0.011 (3)
C750.033 (3)0.031 (3)0.033 (3)0.002 (3)0.009 (3)0.011 (3)
C760.020 (3)0.022 (3)0.028 (3)0.002 (2)0.007 (2)0.003 (2)
Geometric parameters (Å, º) top
Rh1—Cl12.3367 (15)Rh2—Cl42.3548 (12)
Rh1—Cl22.3728 (14)Rh2—Cl52.3867 (12)
Rh1—Cl32.3398 (12)Rh2—Cl62.3418 (11)
Rh1—N12.006 (4)Rh2—N21.999 (4)
Rh1—P12.4102 (13)Rh2—P32.3843 (13)
Rh1—P22.3933 (13)Rh2—P42.3826 (13)
N1—C11.120 (7)N2—C391.132 (6)
C1—C21.469 (9)C39—C401.457 (7)
C2—H2A0.980C40—H40A0.980
C2—H2B0.980C40—H40B0.980
C2—H2C0.980C40—H40C0.980
P1—C31.831 (5)P3—C411.819 (5)
P1—C91.839 (5)P3—C471.821 (5)
P1—C151.830 (5)P3—C531.832 (5)
C3—C41.403 (8)C41—C421.384 (7)
C3—C81.401 (7)C41—C461.389 (8)
C4—H40.950C42—H420.950
C4—C51.381 (9)C42—C431.378 (8)
C5—H50.950C43—H430.950
C5—C61.368 (9)C43—C441.382 (9)
C6—H60.950C44—H440.950
C6—C71.380 (9)C44—C451.351 (9)
C7—H70.950C45—H450.950
C7—C81.384 (8)C45—C461.390 (8)
C8—H80.950C46—H460.950
C9—C101.394 (9)C47—C481.397 (8)
C9—C141.391 (8)C47—C521.398 (7)
C10—H100.950C48—H480.950
C10—C111.376 (8)C48—C491.391 (8)
C11—H110.950C49—H490.950
C11—C121.390 (11)C49—C501.391 (9)
C12—H120.950C50—H500.950
C12—C131.375 (11)C50—C511.372 (10)
C13—H130.950C51—H510.950
C13—C141.406 (9)C51—C521.395 (8)
C14—H140.950C52—H520.950
C15—C161.372 (8)C53—C541.405 (8)
C15—C201.410 (7)C53—C581.374 (8)
C16—H160.950C54—H540.950
C16—C171.391 (8)C54—C551.399 (9)
C17—H170.950C55—H550.950
C17—C181.393 (9)C55—C561.376 (9)
C18—H180.950C56—H560.950
C18—C191.377 (8)C56—C571.368 (9)
C19—H190.950C57—H570.950
C19—C201.376 (8)C57—C581.398 (8)
C20—H200.950C58—H580.950
P2—C211.836 (6)P4—C591.829 (5)
P2—C271.829 (5)P4—C651.815 (5)
P2—C331.835 (6)P4—C711.838 (5)
C21—C221.395 (8)C59—C601.398 (7)
C21—C261.386 (8)C59—C641.402 (7)
C22—H220.950C60—H600.950
C22—C231.376 (9)C60—C611.383 (8)
C23—H230.950C61—H610.950
C23—C241.391 (10)C61—C621.382 (9)
C24—H240.950C62—H620.950
C24—C251.381 (9)C62—C631.376 (9)
C25—H250.950C63—H630.950
C25—C261.387 (8)C63—C641.382 (8)
C26—H260.950C64—H640.950
C27—C281.398 (8)C65—C661.397 (7)
C27—C321.394 (7)C65—C701.391 (7)
C28—H280.950C66—H660.950
C28—C291.397 (8)C66—C671.386 (8)
C29—H290.950C67—H670.950
C29—C301.388 (8)C67—C681.374 (8)
C30—H300.950C68—H680.950
C30—C311.384 (8)C68—C691.383 (8)
C31—H310.950C69—H690.950
C31—C321.385 (8)C69—C701.393 (7)
C32—H320.950C70—H700.950
C33—C341.396 (8)C71—C721.376 (8)
C33—C381.392 (8)C71—C761.389 (7)
C34—H340.950C72—H720.950
C34—C351.386 (9)C72—C731.401 (8)
C35—H350.950C73—H730.950
C35—C361.375 (9)C73—C741.380 (9)
C36—H360.950C74—H740.950
C36—C371.378 (8)C74—C751.372 (9)
C37—H370.950C75—H750.950
C37—C381.407 (8)C75—C761.391 (8)
C38—H380.950C76—H760.950
Cl1—Rh1—Cl2174.01 (5)Cl4—Rh2—Cl5173.32 (4)
Cl1—Rh1—Cl389.43 (5)Cl4—Rh2—Cl689.34 (4)
Cl1—Rh1—N186.03 (15)Cl4—Rh2—N287.93 (12)
Cl1—Rh1—P187.66 (5)Cl4—Rh2—P387.54 (4)
Cl1—Rh1—P292.96 (5)Cl4—Rh2—P493.73 (4)
Cl2—Rh1—Cl396.33 (5)Cl5—Rh2—Cl695.86 (4)
Cl2—Rh1—N188.27 (15)Cl5—Rh2—N287.14 (12)
Cl2—Rh1—P190.79 (5)Cl5—Rh2—P388.02 (4)
Cl2—Rh1—P288.91 (5)Cl5—Rh2—P490.81 (4)
Cl3—Rh1—N1174.94 (15)Cl6—Rh2—N2175.40 (12)
Cl3—Rh1—P188.89 (4)Cl6—Rh2—P392.98 (4)
Cl3—Rh1—P287.93 (5)Cl6—Rh2—P486.03 (4)
N1—Rh1—P193.16 (13)N2—Rh2—P390.59 (12)
N1—Rh1—P290.07 (13)N2—Rh2—P490.45 (12)
P1—Rh1—P2176.75 (5)P3—Rh2—P4178.39 (5)
Rh1—N1—C1177.1 (6)Rh2—N2—C39177.7 (4)
N1—C1—C2177.8 (8)N2—C39—C40178.1 (6)
C1—C2—H2A109.5C39—C40—H40A109.5
C1—C2—H2B109.5C39—C40—H40B109.5
C1—C2—H2C109.5C39—C40—H40C109.5
H2A—C2—H2B109.5H40A—C40—H40B109.5
H2A—C2—H2C109.5H40A—C40—H40C109.5
H2B—C2—H2C109.5H40B—C40—H40C109.5
Rh1—P1—C3115.49 (17)Rh2—P3—C41117.70 (17)
Rh1—P1—C9111.36 (18)Rh2—P3—C47108.95 (17)
Rh1—P1—C15118.25 (18)Rh2—P3—C53120.80 (18)
C3—P1—C9108.0 (3)C41—P3—C47103.7 (2)
C3—P1—C15100.1 (2)C41—P3—C5396.7 (2)
C9—P1—C15102.2 (2)C47—P3—C53107.2 (2)
P1—C3—C4121.8 (4)P3—C41—C42119.6 (4)
P1—C3—C8119.9 (4)P3—C41—C46122.0 (4)
C4—C3—C8118.3 (5)C42—C41—C46117.9 (5)
C3—C4—H4119.9C41—C42—H42119.8
C3—C4—C5120.1 (6)C41—C42—C43120.4 (6)
H4—C4—C5119.9H42—C42—C43119.8
C4—C5—H5119.4C42—C43—H43119.5
C4—C5—C6121.2 (6)C42—C43—C44121.0 (6)
H5—C5—C6119.4H43—C43—C44119.5
C5—C6—H6120.3C43—C44—H44120.4
C5—C6—C7119.4 (6)C43—C44—C45119.2 (6)
H6—C6—C7120.3H44—C44—C45120.4
C6—C7—H7119.6C44—C45—H45119.7
C6—C7—C8120.9 (6)C44—C45—C46120.5 (6)
H7—C7—C8119.6H45—C45—C46119.7
C3—C8—C7120.0 (5)C41—C46—C45120.9 (6)
C3—C8—H8120.0C41—C46—H46119.5
C7—C8—H8120.0C45—C46—H46119.5
P1—C9—C10116.1 (4)P3—C47—C48117.7 (4)
P1—C9—C14124.3 (5)P3—C47—C52122.4 (4)
C10—C9—C14119.6 (5)C48—C47—C52119.5 (5)
C9—C10—H10119.3C47—C48—H48120.0
C9—C10—C11121.3 (6)C47—C48—C49120.1 (5)
H10—C10—C11119.3H48—C48—C49120.0
C10—C11—H11120.2C48—C49—H49120.0
C10—C11—C12119.5 (7)C48—C49—C50120.1 (6)
H11—C11—C12120.2H49—C49—C50120.0
C11—C12—H12120.2C49—C50—H50120.0
C11—C12—C13119.6 (6)C49—C50—C51119.9 (5)
H12—C12—C13120.2H50—C50—C51120.0
C12—C13—H13119.2C50—C51—H51119.5
C12—C13—C14121.6 (7)C50—C51—C52120.9 (6)
H13—C13—C14119.2H51—C51—C52119.5
C9—C14—C13118.3 (7)C47—C52—C51119.5 (6)
C9—C14—H14120.8C47—C52—H52120.3
C13—C14—H14120.8C51—C52—H52120.3
P1—C15—C16121.9 (4)P3—C53—C54118.6 (4)
P1—C15—C20118.4 (4)P3—C53—C58120.8 (4)
C16—C15—C20119.1 (5)C54—C53—C58119.8 (5)
C15—C16—H16119.9C53—C54—H54120.5
C15—C16—C17120.2 (5)C53—C54—C55119.1 (6)
H16—C16—C17119.9H54—C54—C55120.5
C16—C17—H17119.6C54—C55—H55119.7
C16—C17—C18120.8 (6)C54—C55—C56120.7 (6)
H17—C17—C18119.6H55—C55—C56119.7
C17—C18—H18120.6C55—C56—H56120.1
C17—C18—C19118.7 (5)C55—C56—C57119.7 (6)
H18—C18—C19120.6H56—C56—C57120.1
C18—C19—H19119.5C56—C57—H57119.6
C18—C19—C20121.1 (5)C56—C57—C58120.9 (6)
H19—C19—C20119.5H57—C57—C58119.6
C15—C20—C19120.1 (5)C53—C58—C57119.9 (6)
C15—C20—H20119.9C53—C58—H58120.1
C19—C20—H20119.9C57—C58—H58120.1
Rh1—P2—C21116.24 (19)Rh2—P4—C59118.43 (17)
Rh1—P2—C27110.66 (16)Rh2—P4—C65112.65 (17)
Rh1—P2—C33118.86 (19)Rh2—P4—C71113.75 (17)
C21—P2—C27105.5 (2)C59—P4—C65102.3 (2)
C21—P2—C33100.1 (3)C59—P4—C71101.7 (2)
C27—P2—C33103.8 (2)C65—P4—C71106.6 (2)
P2—C21—C22121.8 (5)P4—C59—C60118.2 (4)
P2—C21—C26118.8 (4)P4—C59—C64122.8 (4)
C22—C21—C26118.5 (5)C60—C59—C64118.9 (5)
C21—C22—H22119.7C59—C60—H60120.1
C21—C22—C23120.7 (6)C59—C60—C61119.9 (6)
H22—C22—C23119.7H60—C60—C61120.1
C22—C23—H23119.9C60—C61—H61119.6
C22—C23—C24120.2 (6)C60—C61—C62120.8 (6)
H23—C23—C24119.9H61—C61—C62119.6
C23—C24—H24120.2C61—C62—H62120.2
C23—C24—C25119.5 (6)C61—C62—C63119.7 (6)
H24—C24—C25120.2H62—C62—C63120.2
C24—C25—H25120.0C62—C63—H63119.7
C24—C25—C26120.0 (6)C62—C63—C64120.6 (6)
H25—C25—C26120.0H63—C63—C64119.7
C21—C26—C25120.8 (5)C59—C64—C63120.2 (5)
C21—C26—H26119.6C59—C64—H64119.9
C25—C26—H26119.6C63—C64—H64119.9
P2—C27—C28120.8 (4)P4—C65—C66120.1 (4)
P2—C27—C32119.5 (4)P4—C65—C70121.1 (4)
C28—C27—C32119.3 (5)C66—C65—C70118.7 (5)
C27—C28—H28120.0C65—C66—H66119.6
C27—C28—C29120.1 (5)C65—C66—C67120.7 (5)
H28—C28—C29120.0H66—C66—C67119.6
C28—C29—H29120.0C66—C67—H67119.9
C28—C29—C30120.0 (5)C66—C67—C68120.1 (5)
H29—C29—C30120.0H67—C67—C68119.9
C29—C30—H30120.1C67—C68—H68120.0
C29—C30—C31119.8 (5)C67—C68—C69120.0 (5)
H30—C30—C31120.1H68—C68—C69120.0
C30—C31—H31119.6C68—C69—H69119.8
C30—C31—C32120.8 (5)C68—C69—C70120.3 (5)
H31—C31—C32119.6H69—C69—C70119.8
C27—C32—C31120.1 (5)C65—C70—C69120.1 (5)
C27—C32—H32120.0C65—C70—H70119.9
C31—C32—H32120.0C69—C70—H70119.9
P2—C33—C34118.8 (5)P4—C71—C72123.7 (4)
P2—C33—C38123.6 (4)P4—C71—C76117.3 (4)
C34—C33—C38117.6 (5)C72—C71—C76119.0 (5)
C33—C34—H34119.5C71—C72—H72119.6
C33—C34—C35121.1 (6)C71—C72—C73120.9 (6)
H34—C34—C35119.5H72—C72—C73119.6
C34—C35—H35119.4C72—C73—H73120.5
C34—C35—C36121.1 (6)C72—C73—C74119.0 (6)
H35—C35—C36119.4H73—C73—C74120.5
C35—C36—H36120.5C73—C74—H74119.6
C35—C36—C37118.9 (6)C73—C74—C75120.8 (5)
H36—C36—C37120.5H74—C74—C75119.6
C36—C37—H37119.7C74—C75—H75120.1
C36—C37—C38120.5 (6)C74—C75—C76119.8 (5)
H37—C37—C38119.7H75—C75—C76120.1
C33—C38—C37120.7 (5)C71—C76—C75120.5 (5)
C33—C38—H38119.7C71—C76—H76119.8
C37—C38—H38119.7C75—C76—H76119.8
 

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