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The complexes {bis­[(2-di­phenyl­phosphan­yl)phen­yl] ether-κ2P,P′}(η4-norbornadiene)rhodium(I) tetra­fluorido­borate, [Rh(C7H8)(C36H28OP2)]BF4, and {bis­[(2-di­phenyl­phosphan­yl)phen­yl] ether-κ2P,P′}[η4-(Z,Z)-cyclo­octa-1,5-diene]rhodium(I) tetra­fluorido­borate di­chloro­methane monosolvate, [Rh(C8H12)(C36H28OP2)]BF4·CH2Cl2, are applied as precatalysts in redox-neutral atomic-economic propargylic CH activation [Lumbroso et al. (2013). Angew. Chem. Int. Ed. 52, 1890–1932]. In addition, the catalytically inactive penta­coordinated 18-electron complex {bis­[(2-di­phenyl­phosphan­yl)phen­yl] ether-κ2P,P′}chlorido­(η4-norbornadiene)rhodium(I), [RhCl(C7H8)(C36H28OP2)], was synthesized, which can form in the presence of chloride in the reaction system.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S205322961901163X/ov3130sup1.cif
Contains datablocks compI, compII, compIII, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S205322961901163X/ov3130compIsup2.hkl
Contains datablock compI

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S205322961901163X/ov3130compIIsup3.hkl
Contains datablock compII

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S205322961901163X/ov3130compIIIsup4.hkl
Contains datablock compIII

CCDC references: 1948472; 1948473; 1948474

Computing details top

For all structures, data collection: APEX2 (Bruker, 2014); cell refinement: SAINT (Bruker, 2013); data reduction: SAINT (Bruker, 2013); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015); molecular graphics: SHELXTL (Bruker, 2014); software used to prepare material for publication: SHELXTL (Bruker, 2014) and publCIF (Westrip, 2010).

{Bis[(2-diphenylphosphanyl)phenyl] ether-κ2P,P'}(η4-norbornadiene)rhodium(I) tetrafluoridoborate (compI) top
Crystal data top
[Rh(C7H8)(C36H28OP2)]BF4F(000) = 3344
Mr = 820.38Dx = 1.551 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
a = 21.8106 (3) ÅCell parameters from 9800 reflections
b = 18.0754 (2) Åθ = 2.6–27.5°
c = 18.1455 (2) ŵ = 0.63 mm1
β = 100.742 (1)°T = 150 K
V = 7028.24 (15) Å3Part of prism, orange
Z = 80.50 × 0.44 × 0.32 mm
Data collection top
Bruker APEXII CCD
diffractometer
13063 independent reflections
Radiation source: sealed tube11013 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.031
Detector resolution: 8.33 pixels mm-1θmax = 25.5°, θmin = 1.6°
φ and ω scansh = 2624
Absorption correction: multi-scan
(SADABS; Bruker, 2014)
k = 2121
Tmin = 0.664, Tmax = 0.746l = 2120
68856 measured reflections
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.037Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.105H-atom parameters constrained
S = 1.07 w = 1/[σ2(Fo2) + (0.0408P)2 + 20.3084P]
where P = (Fo2 + 2Fc2)/3
13063 reflections(Δ/σ)max = 0.002
937 parametersΔρmax = 1.34 e Å3
24 restraintsΔρmin = 1.29 e Å3
Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Rh10.17316 (2)0.74146 (2)0.03877 (2)0.02192 (8)
P10.10970 (4)0.63622 (5)0.02064 (5)0.02198 (18)
P20.15520 (4)0.78805 (5)0.08330 (5)0.02189 (18)
O10.15982 (11)0.63852 (13)0.12610 (13)0.0264 (5)
C10.12308 (16)0.55765 (19)0.03872 (19)0.0245 (7)
C20.11093 (17)0.4849 (2)0.0191 (2)0.0294 (8)
H20.09030.47620.02180.035*
C30.12861 (19)0.4254 (2)0.0587 (2)0.0345 (9)
H30.11930.37640.04530.041*
C40.1594 (2)0.4368 (2)0.1172 (2)0.0389 (9)
H40.17360.39580.14210.047*
C50.16978 (19)0.5084 (2)0.1398 (2)0.0356 (9)
H50.19000.51670.18120.043*
C60.15043 (17)0.56718 (19)0.1016 (2)0.0270 (7)
C70.10860 (16)0.67068 (19)0.17231 (18)0.0244 (7)
C80.06783 (18)0.6312 (2)0.2260 (2)0.0307 (8)
H80.07250.57930.23100.037*
C90.02032 (18)0.6688 (2)0.2721 (2)0.0355 (9)
H90.00880.64260.30830.043*
C100.01517 (18)0.7460 (2)0.2654 (2)0.0328 (8)
H100.01670.77220.29800.039*
C110.05565 (17)0.7828 (2)0.2124 (2)0.0297 (8)
H110.05220.83510.20910.036*
C120.10256 (16)0.74620 (19)0.16246 (19)0.0236 (7)
C130.03055 (16)0.66807 (19)0.0145 (2)0.0275 (8)
C140.0096 (2)0.7288 (2)0.0221 (3)0.0411 (10)
H140.03610.75020.06420.049*
C150.0490 (2)0.7573 (2)0.0023 (4)0.0580 (15)
H150.06400.79670.02410.070*
C160.0857 (2)0.7282 (3)0.0657 (4)0.0662 (17)
H160.12520.75000.08440.079*
C170.0671 (2)0.6699 (3)0.1016 (3)0.0513 (12)
H170.09410.65010.14420.062*
C180.00793 (18)0.6376 (2)0.0765 (2)0.0363 (9)
H180.00520.59600.10160.044*
C190.10460 (19)0.58566 (19)0.10690 (19)0.0286 (8)
C200.1579 (2)0.5506 (2)0.1450 (2)0.0374 (9)
H200.19640.55700.12850.045*
C210.1555 (3)0.5060 (2)0.2072 (2)0.0494 (12)
H210.19170.48090.23200.059*
C220.0995 (3)0.4987 (3)0.2323 (2)0.0621 (16)
H220.09780.46900.27510.074*
C230.0466 (3)0.5336 (2)0.1964 (2)0.0533 (13)
H230.00870.52820.21440.064*
C240.0486 (2)0.5778 (2)0.1323 (2)0.0388 (10)
H240.01200.60190.10700.047*
C250.12455 (16)0.88152 (19)0.07940 (18)0.0247 (7)
C260.16272 (18)0.9439 (2)0.0717 (2)0.0294 (8)
H260.20580.93860.07310.035*
C270.1391 (2)1.0129 (2)0.0622 (2)0.0391 (10)
H270.16561.05500.05700.047*
C280.0757 (2)1.0204 (2)0.0603 (2)0.0442 (11)
H280.05861.06800.05510.053*
C290.0390 (2)0.9603 (3)0.0659 (2)0.0432 (11)
H290.00390.96620.06410.052*
C300.06193 (18)0.8901 (2)0.0742 (2)0.0318 (8)
H300.03540.84820.07640.038*
C310.22847 (16)0.79868 (19)0.11663 (19)0.0253 (7)
C320.23407 (18)0.8495 (2)0.1728 (2)0.0306 (8)
H320.19840.87630.19690.037*
C330.29141 (19)0.8614 (2)0.1940 (2)0.0365 (9)
H330.29550.89750.23080.044*
C340.34207 (18)0.8201 (2)0.1610 (2)0.0393 (10)
H340.38120.82770.17560.047*
C350.33723 (18)0.7690 (2)0.1082 (2)0.0355 (9)
H350.37290.74080.08670.043*
C360.28044 (17)0.7567 (2)0.0844 (2)0.0283 (8)
H360.27740.72060.04720.034*
C370.18969 (18)0.8497 (2)0.09314 (19)0.0287 (8)
H370.16810.89580.07170.034*
C380.24468 (18)0.8250 (2)0.0747 (2)0.0301 (8)
H380.26670.85190.03900.036*
C390.27914 (18)0.7824 (2)0.1429 (2)0.0330 (8)
H390.32470.77300.14570.040*
C400.23671 (18)0.7150 (2)0.1429 (2)0.0325 (8)
H400.25320.66400.15530.039*
C410.18204 (19)0.7403 (2)0.16146 (19)0.0327 (9)
H410.15510.70920.18810.039*
C420.19005 (18)0.8238 (2)0.1737 (2)0.0321 (8)
H420.16070.84900.20180.038*
C430.25974 (18)0.8287 (2)0.2069 (2)0.0345 (9)
H43A0.27090.80470.25670.041*
H43B0.27590.88000.20910.041*
Rh20.34749 (2)0.24149 (2)0.13032 (2)0.01640 (7)
P30.31862 (4)0.12588 (4)0.17023 (4)0.01692 (16)
P40.43984 (4)0.20273 (4)0.09510 (4)0.01535 (16)
O20.45302 (10)0.14927 (11)0.24878 (11)0.0169 (4)
C510.35412 (15)0.10025 (17)0.26661 (17)0.0178 (6)
C520.31940 (16)0.06760 (18)0.31545 (18)0.0237 (7)
H520.27690.05550.29740.028*
C530.34553 (17)0.05255 (19)0.38950 (18)0.0248 (7)
H530.32120.02990.42160.030*
C540.40723 (16)0.07062 (18)0.41651 (18)0.0227 (7)
H540.42510.06080.46740.027*
C550.44339 (16)0.10299 (17)0.36981 (17)0.0201 (7)
H550.48570.11580.38840.024*
C560.41652 (15)0.11616 (16)0.29562 (17)0.0171 (6)
C570.48303 (14)0.10056 (17)0.20741 (17)0.0169 (6)
C580.51508 (16)0.03914 (18)0.24038 (18)0.0230 (7)
H580.51760.02920.29230.028*
C590.54326 (16)0.00730 (19)0.19608 (19)0.0259 (7)
H590.56520.04970.21780.031*
C600.54000 (16)0.00712 (18)0.12047 (19)0.0244 (7)
H600.55880.02570.09040.029*
C610.50906 (15)0.06978 (18)0.08901 (17)0.0199 (6)
H610.50700.07970.03720.024*
C620.48093 (14)0.11840 (17)0.13208 (17)0.0165 (6)
C630.23535 (15)0.11321 (19)0.17163 (18)0.0215 (7)
C640.20018 (16)0.0566 (2)0.1332 (2)0.0299 (8)
H640.21900.02290.10390.036*
C650.13766 (18)0.0489 (3)0.1374 (2)0.0393 (10)
H650.11410.00940.11170.047*
C660.10938 (17)0.0980 (2)0.1784 (2)0.0371 (9)
H660.06630.09300.18010.044*
C670.14373 (18)0.1546 (2)0.2170 (2)0.0331 (8)
H670.12440.18870.24540.040*
C680.20664 (17)0.1616 (2)0.2143 (2)0.0285 (8)
H680.23040.19990.24200.034*
C690.33497 (14)0.05015 (17)0.11018 (17)0.0189 (6)
C700.36883 (16)0.01234 (18)0.13622 (19)0.0236 (7)
H700.38370.01880.18850.028*
C710.38105 (17)0.0657 (2)0.0857 (2)0.0295 (8)
H710.40460.10840.10360.035*
C720.35909 (17)0.0571 (2)0.0095 (2)0.0302 (8)
H720.36760.09370.02480.036*
C730.32472 (17)0.0051 (2)0.01648 (19)0.0291 (8)
H730.30950.01100.06870.035*
C740.31247 (15)0.05862 (19)0.03322 (18)0.0235 (7)
H740.28880.10120.01510.028*
C750.43380 (15)0.19761 (17)0.00664 (17)0.0184 (6)
C760.37537 (16)0.19583 (18)0.05217 (18)0.0229 (7)
H760.33920.19440.03010.028*
C770.36892 (17)0.19614 (19)0.13001 (19)0.0286 (8)
H770.32850.19360.16060.034*
C780.42071 (18)0.20018 (18)0.16270 (18)0.0271 (8)
H780.41630.20120.21580.032*
C790.47982 (18)0.20278 (19)0.11771 (19)0.0265 (7)
H790.51570.20600.14020.032*
C800.48660 (16)0.20076 (18)0.04019 (18)0.0226 (7)
H800.52710.20150.00980.027*
C810.49796 (14)0.27554 (17)0.12270 (17)0.0177 (6)
C820.50611 (16)0.33150 (18)0.07270 (18)0.0240 (7)
H820.48350.32970.02260.029*
C830.54665 (18)0.38976 (19)0.0948 (2)0.0297 (8)
H830.55240.42700.05980.036*
C840.57875 (18)0.3935 (2)0.1680 (2)0.0302 (8)
H840.60630.43360.18360.036*
C850.57062 (17)0.3388 (2)0.21831 (19)0.0268 (7)
H850.59270.34150.26860.032*
C860.53057 (15)0.27987 (19)0.19638 (18)0.0216 (7)
H860.52540.24250.23150.026*
C870.27633 (16)0.3134 (2)0.1663 (2)0.0278 (8)
H870.25640.30190.21030.033*
C880.25457 (16)0.2859 (2)0.0950 (2)0.0267 (7)
H880.21670.25390.08270.032*
C890.27199 (18)0.3433 (2)0.0397 (2)0.0308 (8)
H890.24940.34070.01350.037*
C900.34306 (17)0.33590 (18)0.0539 (2)0.0273 (8)
H900.36780.33840.01270.033*
C910.36514 (17)0.36228 (18)0.1250 (2)0.0270 (7)
H910.40750.38480.14030.032*
C920.30799 (18)0.3876 (2)0.1564 (2)0.0305 (8)
H920.31540.42210.20030.037*
C930.2656 (2)0.4155 (2)0.0835 (2)0.0380 (9)
H93A0.22220.42520.08990.046*
H93B0.28290.45920.06170.046*
B10.1869 (2)0.3042 (2)0.3786 (2)0.0455 (12)
F10.12523 (13)0.3061 (3)0.3543 (2)0.140 (2)
F20.20013 (15)0.32071 (15)0.45366 (14)0.0730 (10)
F30.2147 (2)0.3573 (2)0.3418 (3)0.145 (2)
F40.2133 (2)0.23748 (17)0.3685 (2)0.1033 (15)
B20.6354 (2)0.0976 (3)0.4139 (3)0.0543 (14)
F50.60486 (18)0.16315 (18)0.4017 (3)0.143 (2)
F60.59538 (13)0.04401 (15)0.42811 (15)0.0636 (8)
F70.65998 (16)0.0784 (2)0.35226 (16)0.0869 (11)
F80.68433 (16)0.1044 (2)0.47283 (19)0.1083 (14)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Rh10.02400 (15)0.02361 (14)0.01774 (14)0.00358 (10)0.00281 (10)0.00099 (10)
P10.0256 (5)0.0209 (4)0.0201 (4)0.0010 (3)0.0058 (3)0.0001 (3)
P20.0215 (4)0.0231 (4)0.0207 (4)0.0019 (3)0.0032 (3)0.0020 (3)
O10.0282 (13)0.0272 (13)0.0243 (12)0.0014 (10)0.0064 (10)0.0014 (10)
C10.0244 (17)0.0240 (17)0.0240 (17)0.0046 (14)0.0019 (13)0.0022 (13)
C20.033 (2)0.0280 (19)0.0268 (18)0.0009 (15)0.0035 (15)0.0009 (14)
C30.045 (2)0.0232 (18)0.033 (2)0.0034 (16)0.0011 (17)0.0025 (15)
C40.053 (3)0.030 (2)0.033 (2)0.0135 (18)0.0062 (18)0.0058 (16)
C50.041 (2)0.037 (2)0.031 (2)0.0094 (17)0.0109 (17)0.0024 (16)
C60.0296 (19)0.0243 (17)0.0270 (18)0.0070 (14)0.0048 (14)0.0023 (14)
C70.0252 (18)0.0293 (18)0.0200 (16)0.0014 (14)0.0073 (13)0.0027 (14)
C80.038 (2)0.0296 (19)0.0260 (18)0.0052 (16)0.0092 (16)0.0021 (15)
C90.035 (2)0.045 (2)0.0246 (18)0.0122 (18)0.0003 (15)0.0007 (16)
C100.0256 (19)0.046 (2)0.0255 (19)0.0035 (16)0.0013 (15)0.0072 (16)
C110.032 (2)0.0313 (19)0.0259 (18)0.0039 (16)0.0069 (15)0.0069 (15)
C120.0222 (17)0.0280 (18)0.0205 (16)0.0026 (14)0.0042 (13)0.0025 (13)
C130.0230 (18)0.0256 (18)0.035 (2)0.0014 (14)0.0096 (15)0.0083 (15)
C140.036 (2)0.028 (2)0.065 (3)0.0003 (17)0.024 (2)0.0031 (19)
C150.048 (3)0.029 (2)0.107 (5)0.012 (2)0.042 (3)0.013 (2)
C160.025 (2)0.072 (4)0.104 (5)0.015 (2)0.020 (3)0.053 (4)
C170.033 (2)0.066 (3)0.051 (3)0.007 (2)0.003 (2)0.024 (2)
C180.027 (2)0.046 (2)0.035 (2)0.0028 (17)0.0065 (16)0.0066 (18)
C190.047 (2)0.0202 (17)0.0202 (17)0.0065 (15)0.0099 (15)0.0020 (13)
C200.057 (3)0.0237 (18)0.0270 (19)0.0029 (18)0.0025 (18)0.0007 (15)
C210.083 (4)0.030 (2)0.028 (2)0.011 (2)0.008 (2)0.0032 (17)
C220.121 (5)0.044 (3)0.018 (2)0.028 (3)0.008 (3)0.0016 (19)
C230.095 (4)0.039 (2)0.034 (2)0.026 (3)0.033 (3)0.012 (2)
C240.058 (3)0.030 (2)0.034 (2)0.0129 (19)0.0235 (19)0.0060 (16)
C250.0294 (19)0.0244 (17)0.0199 (16)0.0004 (14)0.0032 (14)0.0010 (13)
C260.031 (2)0.0310 (19)0.0263 (18)0.0057 (15)0.0057 (15)0.0006 (15)
C270.059 (3)0.029 (2)0.028 (2)0.0062 (19)0.0027 (18)0.0012 (16)
C280.060 (3)0.035 (2)0.035 (2)0.017 (2)0.003 (2)0.0042 (18)
C290.035 (2)0.052 (3)0.038 (2)0.013 (2)0.0051 (18)0.0174 (19)
C300.031 (2)0.036 (2)0.0281 (19)0.0003 (16)0.0034 (15)0.0055 (16)
C310.0236 (17)0.0294 (18)0.0222 (17)0.0028 (14)0.0025 (13)0.0023 (14)
C320.033 (2)0.036 (2)0.0233 (18)0.0035 (16)0.0063 (15)0.0015 (15)
C330.040 (2)0.044 (2)0.029 (2)0.0108 (18)0.0149 (17)0.0062 (17)
C340.027 (2)0.046 (2)0.048 (2)0.0073 (18)0.0147 (18)0.024 (2)
C350.0236 (19)0.047 (2)0.034 (2)0.0073 (17)0.0002 (15)0.0206 (18)
C360.0303 (19)0.0287 (18)0.0245 (18)0.0015 (15)0.0015 (15)0.0058 (14)
C370.038 (2)0.0243 (18)0.0229 (18)0.0028 (15)0.0027 (15)0.0030 (14)
C380.035 (2)0.0302 (19)0.0254 (18)0.0147 (16)0.0066 (15)0.0040 (15)
C390.0255 (19)0.039 (2)0.032 (2)0.0026 (16)0.0009 (15)0.0066 (16)
C400.039 (2)0.034 (2)0.0206 (17)0.0033 (17)0.0049 (15)0.0036 (15)
C410.043 (2)0.039 (2)0.0161 (17)0.0129 (17)0.0064 (15)0.0008 (15)
C420.037 (2)0.038 (2)0.0226 (18)0.0039 (17)0.0109 (15)0.0040 (15)
C430.041 (2)0.039 (2)0.0220 (18)0.0088 (17)0.0006 (16)0.0014 (16)
Rh20.01638 (13)0.01748 (13)0.01557 (13)0.00231 (9)0.00358 (9)0.00136 (9)
P30.0168 (4)0.0194 (4)0.0148 (4)0.0001 (3)0.0035 (3)0.0002 (3)
P40.0168 (4)0.0164 (4)0.0128 (4)0.0001 (3)0.0026 (3)0.0008 (3)
O20.0205 (11)0.0164 (10)0.0150 (10)0.0008 (9)0.0063 (8)0.0003 (8)
C510.0221 (16)0.0171 (15)0.0141 (14)0.0010 (12)0.0035 (12)0.0009 (12)
C520.0251 (18)0.0240 (17)0.0236 (17)0.0011 (14)0.0084 (14)0.0010 (13)
C530.035 (2)0.0243 (17)0.0185 (16)0.0024 (14)0.0134 (14)0.0019 (13)
C540.0353 (19)0.0186 (16)0.0144 (15)0.0029 (14)0.0053 (13)0.0015 (12)
C550.0265 (17)0.0160 (15)0.0171 (15)0.0001 (13)0.0023 (13)0.0018 (12)
C560.0249 (17)0.0121 (14)0.0162 (15)0.0010 (12)0.0084 (12)0.0008 (11)
C570.0163 (15)0.0167 (15)0.0184 (15)0.0006 (12)0.0054 (12)0.0026 (12)
C580.0272 (18)0.0234 (17)0.0185 (16)0.0035 (14)0.0043 (13)0.0035 (13)
C590.0294 (19)0.0210 (17)0.0270 (18)0.0076 (14)0.0048 (14)0.0037 (14)
C600.0270 (18)0.0207 (16)0.0273 (18)0.0033 (14)0.0099 (14)0.0033 (13)
C610.0220 (16)0.0219 (16)0.0166 (15)0.0011 (13)0.0058 (12)0.0004 (12)
C620.0158 (15)0.0160 (15)0.0168 (15)0.0004 (12)0.0013 (12)0.0014 (12)
C630.0186 (16)0.0269 (17)0.0188 (16)0.0016 (13)0.0032 (12)0.0047 (13)
C640.0232 (18)0.039 (2)0.0280 (18)0.0043 (15)0.0072 (14)0.0052 (16)
C650.025 (2)0.057 (3)0.036 (2)0.0117 (18)0.0060 (16)0.0096 (19)
C660.0192 (18)0.060 (3)0.033 (2)0.0015 (17)0.0067 (15)0.0015 (18)
C670.029 (2)0.042 (2)0.031 (2)0.0059 (16)0.0117 (16)0.0020 (16)
C680.0290 (19)0.0294 (19)0.0287 (18)0.0018 (15)0.0097 (15)0.0019 (15)
C690.0169 (15)0.0208 (16)0.0205 (16)0.0034 (12)0.0071 (12)0.0016 (12)
C700.0223 (17)0.0236 (17)0.0261 (17)0.0037 (13)0.0076 (13)0.0018 (13)
C710.0300 (19)0.0214 (17)0.039 (2)0.0008 (14)0.0115 (16)0.0028 (15)
C720.032 (2)0.0289 (19)0.034 (2)0.0108 (15)0.0161 (16)0.0141 (15)
C730.0311 (19)0.037 (2)0.0200 (17)0.0131 (16)0.0076 (14)0.0057 (15)
C740.0215 (17)0.0283 (18)0.0208 (16)0.0056 (14)0.0040 (13)0.0025 (14)
C750.0266 (17)0.0152 (15)0.0134 (14)0.0010 (12)0.0042 (12)0.0015 (11)
C760.0277 (18)0.0222 (16)0.0188 (16)0.0034 (14)0.0043 (13)0.0006 (13)
C770.033 (2)0.0279 (18)0.0211 (17)0.0048 (15)0.0042 (14)0.0010 (14)
C780.048 (2)0.0198 (17)0.0139 (15)0.0034 (15)0.0077 (15)0.0017 (13)
C790.038 (2)0.0221 (17)0.0228 (17)0.0062 (15)0.0154 (15)0.0028 (13)
C800.0271 (18)0.0207 (16)0.0207 (16)0.0033 (13)0.0061 (13)0.0031 (13)
C810.0152 (15)0.0183 (15)0.0195 (15)0.0002 (12)0.0031 (12)0.0009 (12)
C820.0293 (18)0.0213 (16)0.0196 (16)0.0000 (14)0.0002 (13)0.0018 (13)
C830.039 (2)0.0200 (17)0.0292 (19)0.0061 (15)0.0053 (16)0.0044 (14)
C840.036 (2)0.0247 (18)0.0295 (19)0.0108 (15)0.0063 (15)0.0040 (15)
C850.0302 (19)0.0306 (19)0.0187 (16)0.0084 (15)0.0021 (14)0.0039 (14)
C860.0240 (17)0.0246 (17)0.0168 (15)0.0010 (13)0.0056 (13)0.0000 (13)
C870.0216 (17)0.0322 (19)0.0307 (19)0.0079 (15)0.0076 (14)0.0002 (15)
C880.0173 (16)0.0308 (19)0.0311 (19)0.0077 (14)0.0022 (14)0.0036 (15)
C890.036 (2)0.0287 (19)0.0266 (18)0.0111 (16)0.0027 (15)0.0057 (15)
C900.035 (2)0.0192 (16)0.0294 (19)0.0065 (14)0.0094 (15)0.0096 (14)
C910.0304 (19)0.0164 (16)0.035 (2)0.0021 (14)0.0076 (15)0.0016 (14)
C920.033 (2)0.0233 (18)0.036 (2)0.0074 (15)0.0103 (16)0.0045 (15)
C930.041 (2)0.029 (2)0.043 (2)0.0159 (17)0.0072 (18)0.0052 (17)
B10.045 (3)0.051 (3)0.039 (3)0.004 (2)0.004 (2)0.008 (2)
F10.043 (2)0.258 (7)0.106 (3)0.006 (3)0.019 (2)0.042 (4)
F20.105 (3)0.0474 (16)0.0525 (17)0.0172 (16)0.0224 (16)0.0148 (13)
F30.136 (4)0.151 (4)0.174 (5)0.057 (3)0.099 (4)0.092 (4)
F40.158 (4)0.069 (2)0.073 (2)0.030 (2)0.005 (2)0.0293 (19)
B20.050 (3)0.061 (4)0.053 (3)0.008 (3)0.013 (3)0.006 (3)
F50.087 (3)0.068 (3)0.285 (7)0.020 (2)0.062 (4)0.050 (3)
F60.0629 (19)0.072 (2)0.0575 (17)0.0132 (15)0.0167 (14)0.0066 (15)
F70.100 (3)0.102 (3)0.067 (2)0.034 (2)0.035 (2)0.0020 (19)
F80.089 (3)0.128 (4)0.096 (3)0.028 (3)0.012 (2)0.042 (3)
Geometric parameters (Å, º) top
Rh1—C402.178 (3)Rh2—P42.3317 (8)
Rh1—C382.182 (3)Rh2—P32.3363 (8)
Rh1—C372.190 (3)P3—C691.826 (3)
Rh1—C412.199 (3)P3—C631.835 (3)
Rh1—P22.3335 (9)P3—C511.835 (3)
Rh1—P12.3393 (9)P4—C751.828 (3)
P1—C131.819 (4)P4—C621.831 (3)
P1—C191.834 (3)P4—C811.831 (3)
P1—C11.838 (3)O2—C571.397 (4)
P2—C311.821 (4)O2—C561.402 (4)
P2—C251.823 (4)C51—C561.395 (4)
P2—C121.827 (3)C51—C521.399 (4)
O1—C61.391 (4)C52—C531.385 (5)
O1—C71.393 (4)C52—H520.9500
C1—C61.394 (5)C53—C541.383 (5)
C1—C21.400 (5)C53—H530.9500
C2—C31.388 (5)C54—C551.390 (5)
C2—H20.9500C54—H540.9500
C3—C41.373 (6)C55—C561.385 (4)
C3—H30.9500C55—H550.9500
C4—C51.389 (6)C57—C581.387 (4)
C4—H40.9500C57—C621.397 (4)
C5—C61.377 (5)C58—C591.383 (5)
C5—H50.9500C58—H580.9500
C7—C121.386 (5)C59—C601.385 (5)
C7—C81.388 (5)C59—H590.9500
C8—C91.384 (6)C60—C611.386 (5)
C8—H80.9500C60—H600.9500
C9—C101.406 (6)C61—C621.392 (4)
C9—H90.9500C61—H610.9500
C10—C111.353 (5)C63—C641.387 (5)
C10—H100.9500C63—C681.392 (5)
C11—C121.401 (5)C64—C651.387 (5)
C11—H110.9500C64—H640.9500
C13—C181.387 (5)C65—C661.376 (6)
C13—C141.402 (5)C65—H650.9500
C14—C151.373 (7)C66—C671.380 (6)
C14—H140.9500C66—H660.9500
C15—C161.377 (9)C67—C681.388 (5)
C15—H150.9500C67—H670.9500
C16—C171.341 (8)C68—H680.9500
C16—H160.9500C69—C701.384 (5)
C17—C181.413 (6)C69—C741.400 (5)
C17—H170.9500C70—C711.390 (5)
C18—H180.9500C70—H700.9500
C19—C201.390 (6)C71—C721.386 (5)
C19—C241.390 (6)C71—H710.9500
C20—C211.396 (6)C72—C731.383 (6)
C20—H200.9500C72—H720.9500
C21—C221.387 (8)C73—C741.383 (5)
C21—H210.9500C73—H730.9500
C22—C231.367 (8)C74—H740.9500
C22—H220.9500C75—C761.384 (5)
C23—C241.418 (6)C75—C801.400 (5)
C23—H230.9500C76—C771.393 (5)
C24—H240.9500C76—H760.9500
C25—C261.393 (5)C77—C781.372 (5)
C25—C301.395 (5)C77—H770.9500
C26—C271.372 (6)C78—C791.392 (5)
C26—H260.9500C78—H780.9500
C27—C281.396 (6)C79—C801.387 (5)
C27—H270.9500C79—H790.9500
C28—C291.342 (6)C80—H800.9500
C28—H280.9500C81—C821.392 (5)
C29—C301.383 (6)C81—C861.395 (4)
C29—H290.9500C82—C831.385 (5)
C30—H300.9500C82—H820.9500
C31—C321.395 (5)C83—C841.383 (5)
C31—C361.399 (5)C83—H830.9500
C32—C331.392 (5)C84—C851.379 (5)
C32—H320.9500C84—H840.9500
C33—C341.375 (6)C85—C861.388 (5)
C33—H330.9500C85—H850.9500
C34—C351.349 (6)C86—H860.9500
C34—H340.9500C87—C881.385 (5)
C35—C361.404 (5)C87—C921.535 (5)
C35—H350.9500C87—H871.0000
C36—H360.9500C88—C891.538 (5)
C37—C381.378 (5)C88—H881.0000
C37—C421.534 (5)C89—C901.529 (5)
C37—H371.0000C89—C931.547 (5)
C38—C391.530 (5)C89—H891.0000
C38—H381.0000C90—C911.375 (5)
C39—C401.530 (5)C90—H901.0000
C39—C431.554 (5)C91—C921.534 (5)
C39—H391.0000C91—H911.0000
C40—C411.376 (6)C92—C931.549 (5)
C40—H401.0000C92—H921.0000
C41—C421.530 (5)C93—H93A0.9900
C41—H411.0000C93—H93B0.9900
C42—C431.530 (5)B1—F11.336 (4)
C42—H421.0000B1—F41.363 (4)
C43—H43A0.9900B1—F21.372 (4)
C43—H43B0.9900B1—F31.372 (5)
Rh2—C882.163 (3)B2—F51.356 (5)
Rh2—C902.190 (3)B2—F61.361 (5)
Rh2—C872.214 (3)B2—F81.369 (5)
Rh2—C912.222 (3)B2—F71.372 (5)
C40—Rh1—C3865.71 (14)C88—Rh2—P4147.11 (10)
C40—Rh1—C3777.31 (14)C90—Rh2—P489.94 (10)
C38—Rh1—C3736.74 (14)C87—Rh2—P4161.10 (10)
C40—Rh1—C4136.65 (15)C91—Rh2—P496.76 (10)
C38—Rh1—C4177.34 (14)C88—Rh2—P397.60 (10)
C37—Rh1—C4164.92 (14)C90—Rh2—P3155.61 (10)
C40—Rh1—P2150.43 (11)C87—Rh2—P3100.93 (10)
C38—Rh1—P291.03 (10)C91—Rh2—P3162.05 (10)
C37—Rh1—P295.15 (10)P4—Rh2—P396.47 (3)
C41—Rh1—P2158.76 (11)C69—P3—C63102.63 (15)
C40—Rh1—P1102.00 (10)C69—P3—C51106.54 (14)
C38—Rh1—P1167.48 (10)C63—P3—C51101.43 (14)
C37—Rh1—P1146.40 (10)C69—P3—Rh2113.06 (10)
C41—Rh1—P194.18 (10)C63—P3—Rh2116.14 (11)
P2—Rh1—P199.77 (3)C51—P3—Rh2115.53 (10)
C13—P1—C19104.61 (17)C75—P4—C62105.43 (14)
C13—P1—C1106.44 (16)C75—P4—C81103.21 (14)
C19—P1—C199.01 (16)C62—P4—C81103.39 (14)
C13—P1—Rh1106.86 (12)C75—P4—Rh2112.87 (11)
C19—P1—Rh1114.43 (12)C62—P4—Rh2122.58 (10)
C1—P1—Rh1123.80 (12)C81—P4—Rh2107.36 (10)
C31—P2—C25105.41 (16)C57—O2—C56115.6 (2)
C31—P2—C12104.13 (15)C56—C51—C52117.0 (3)
C25—P2—C12103.47 (16)C56—C51—P3121.1 (2)
C31—P2—Rh1110.54 (11)C52—C51—P3121.9 (2)
C25—P2—Rh1107.19 (11)C53—C52—C51121.6 (3)
C12—P2—Rh1124.51 (11)C53—C52—H52119.2
C6—O1—C7115.4 (3)C51—C52—H52119.2
C6—C1—C2117.0 (3)C54—C53—C52119.6 (3)
C6—C1—P1121.6 (3)C54—C53—H53120.2
C2—C1—P1121.2 (3)C52—C53—H53120.2
C3—C2—C1120.9 (3)C53—C54—C55120.6 (3)
C3—C2—H2119.6C53—C54—H54119.7
C1—C2—H2119.6C55—C54—H54119.7
C4—C3—C2120.4 (4)C56—C55—C54118.7 (3)
C4—C3—H3119.8C56—C55—H55120.7
C2—C3—H3119.8C54—C55—H55120.7
C3—C4—C5119.9 (4)C55—C56—C51122.5 (3)
C3—C4—H4120.0C55—C56—O2118.5 (3)
C5—C4—H4120.0C51—C56—O2118.9 (3)
C6—C5—C4119.2 (4)C58—C57—O2121.5 (3)
C6—C5—H5120.4C58—C57—C62121.9 (3)
C4—C5—H5120.4O2—C57—C62116.6 (3)
C5—C6—O1118.5 (3)C59—C58—C57118.6 (3)
C5—C6—C1122.4 (3)C59—C58—H58120.7
O1—C6—C1119.1 (3)C57—C58—H58120.7
C12—C7—C8122.2 (3)C58—C59—C60121.0 (3)
C12—C7—O1114.7 (3)C58—C59—H59119.5
C8—C7—O1123.0 (3)C60—C59—H59119.5
C9—C8—C7118.8 (4)C59—C60—C61119.5 (3)
C9—C8—H8120.6C59—C60—H60120.2
C7—C8—H8120.6C61—C60—H60120.2
C8—C9—C10119.9 (3)C60—C61—C62121.1 (3)
C8—C9—H9120.1C60—C61—H61119.5
C10—C9—H9120.1C62—C61—H61119.5
C11—C10—C9119.9 (4)C61—C62—C57117.8 (3)
C11—C10—H10120.1C61—C62—P4123.8 (2)
C9—C10—H10120.1C57—C62—P4118.4 (2)
C10—C11—C12121.9 (4)C64—C63—C68118.7 (3)
C10—C11—H11119.1C64—C63—P3122.8 (3)
C12—C11—H11119.1C68—C63—P3118.6 (3)
C7—C12—C11117.2 (3)C65—C64—C63120.2 (4)
C7—C12—P2116.6 (3)C65—C64—H64119.9
C11—C12—P2126.1 (3)C63—C64—H64119.9
C18—C13—C14119.6 (4)C66—C65—C64120.7 (4)
C18—C13—P1123.4 (3)C66—C65—H65119.7
C14—C13—P1116.9 (3)C64—C65—H65119.7
C15—C14—C13120.4 (5)C65—C66—C67119.8 (4)
C15—C14—H14119.8C65—C66—H66120.1
C13—C14—H14119.8C67—C66—H66120.1
C14—C15—C16119.2 (5)C66—C67—C68119.7 (4)
C14—C15—H15120.4C66—C67—H67120.1
C16—C15—H15120.4C68—C67—H67120.1
C17—C16—C15121.6 (4)C67—C68—C63120.9 (3)
C17—C16—H16119.2C67—C68—H68119.6
C15—C16—H16119.2C63—C68—H68119.6
C16—C17—C18120.6 (5)C70—C69—C74119.7 (3)
C16—C17—H17119.7C70—C69—P3124.0 (2)
C18—C17—H17119.7C74—C69—P3116.3 (2)
C13—C18—C17118.4 (4)C69—C70—C71119.8 (3)
C13—C18—H18120.8C69—C70—H70120.1
C17—C18—H18120.8C71—C70—H70120.1
C20—C19—C24119.6 (4)C72—C71—C70120.4 (3)
C20—C19—P1118.3 (3)C72—C71—H71119.8
C24—C19—P1122.1 (3)C70—C71—H71119.8
C19—C20—C21120.7 (4)C73—C72—C71119.7 (3)
C19—C20—H20119.6C73—C72—H72120.1
C21—C20—H20119.6C71—C72—H72120.1
C22—C21—C20119.3 (5)C74—C73—C72120.3 (3)
C22—C21—H21120.3C74—C73—H73119.8
C20—C21—H21120.3C72—C73—H73119.8
C23—C22—C21121.0 (4)C73—C74—C69120.0 (3)
C23—C22—H22119.5C73—C74—H74120.0
C21—C22—H22119.5C69—C74—H74120.0
C22—C23—C24119.9 (5)C76—C75—C80118.8 (3)
C22—C23—H23120.0C76—C75—P4119.3 (2)
C24—C23—H23120.0C80—C75—P4121.8 (2)
C19—C24—C23119.5 (5)C75—C76—C77120.9 (3)
C19—C24—H24120.2C75—C76—H76119.6
C23—C24—H24120.2C77—C76—H76119.6
C26—C25—C30118.5 (3)C78—C77—C76120.2 (3)
C26—C25—P2122.5 (3)C78—C77—H77119.9
C30—C25—P2118.4 (3)C76—C77—H77119.9
C27—C26—C25121.2 (4)C77—C78—C79119.7 (3)
C27—C26—H26119.4C77—C78—H78120.2
C25—C26—H26119.4C79—C78—H78120.2
C26—C27—C28119.2 (4)C80—C79—C78120.4 (3)
C26—C27—H27120.4C80—C79—H79119.8
C28—C27—H27120.4C78—C79—H79119.8
C29—C28—C27120.0 (4)C79—C80—C75120.1 (3)
C29—C28—H28120.0C79—C80—H80120.0
C27—C28—H28120.0C75—C80—H80120.0
C28—C29—C30121.9 (4)C82—C81—C86118.7 (3)
C28—C29—H29119.0C82—C81—P4120.7 (2)
C30—C29—H29119.0C86—C81—P4120.4 (2)
C29—C30—C25119.2 (4)C83—C82—C81121.0 (3)
C29—C30—H30120.4C83—C82—H82119.5
C25—C30—H30120.4C81—C82—H82119.5
C32—C31—C36119.3 (3)C84—C83—C82119.8 (3)
C32—C31—P2120.9 (3)C84—C83—H83120.1
C36—C31—P2119.8 (3)C82—C83—H83120.1
C33—C32—C31120.6 (4)C85—C84—C83119.8 (3)
C33—C32—H32119.7C85—C84—H84120.1
C31—C32—H32119.7C83—C84—H84120.1
C34—C33—C32119.1 (4)C84—C85—C86120.8 (3)
C34—C33—H33120.4C84—C85—H85119.6
C32—C33—H33120.4C86—C85—H85119.6
C35—C34—C33121.2 (4)C85—C86—C81119.9 (3)
C35—C34—H34119.4C85—C86—H86120.0
C33—C34—H34119.4C81—C86—H86120.0
C34—C35—C36121.2 (4)C88—C87—C92106.7 (3)
C34—C35—H35119.4C88—C87—Rh269.56 (19)
C36—C35—H35119.4C92—C87—Rh297.1 (2)
C31—C36—C35118.5 (4)C88—C87—H87123.2
C31—C36—H36120.7C92—C87—H87123.2
C35—C36—H36120.7Rh2—C87—H87123.2
C38—C37—C42106.4 (3)C87—C88—C89106.5 (3)
C38—C37—Rh171.3 (2)C87—C88—Rh273.6 (2)
C42—C37—Rh197.4 (2)C89—C88—Rh296.4 (2)
C38—C37—H37122.9C87—C88—H88122.7
C42—C37—H37122.9C89—C88—H88122.7
Rh1—C37—H37122.9Rh2—C88—H88122.7
C37—C38—C39106.5 (3)C90—C89—C88101.4 (3)
C37—C38—Rh171.9 (2)C90—C89—C93100.0 (3)
C39—C38—Rh196.3 (2)C88—C89—C93100.2 (3)
C37—C38—H38123.0C90—C89—H89117.4
C39—C38—H38123.0C88—C89—H89117.4
Rh1—C38—H38123.0C93—C89—H89117.4
C40—C39—C38101.2 (3)C91—C90—C89107.1 (3)
C40—C39—C43100.4 (3)C91—C90—Rh273.1 (2)
C38—C39—C4399.9 (3)C89—C90—Rh295.6 (2)
C40—C39—H39117.4C91—C90—H90122.8
C38—C39—H39117.4C89—C90—H90122.8
C43—C39—H39117.4Rh2—C90—H90122.8
C41—C40—C39106.7 (3)C90—C91—C92106.6 (3)
C41—C40—Rh172.5 (2)C90—C91—Rh270.57 (19)
C39—C40—Rh196.5 (2)C92—C91—Rh296.8 (2)
C41—C40—H40122.8C90—C91—H91123.1
C39—C40—H40122.8C92—C91—H91123.1
Rh1—C40—H40122.8Rh2—C91—H91123.1
C40—C41—C42106.4 (3)C91—C92—C87101.3 (3)
C40—C41—Rh170.8 (2)C91—C92—C93100.2 (3)
C42—C41—Rh197.1 (2)C87—C92—C93100.0 (3)
C40—C41—H41123.0C91—C92—H92117.4
C42—C41—H41123.0C87—C92—H92117.4
Rh1—C41—H41123.0C93—C92—H92117.4
C43—C42—C41101.1 (3)C89—C93—C9293.9 (3)
C43—C42—C37100.7 (3)C89—C93—H93A112.9
C41—C42—C37100.5 (3)C92—C93—H93A112.9
C43—C42—H42117.2C89—C93—H93B112.9
C41—C42—H42117.2C92—C93—H93B112.9
C37—C42—H42117.2H93A—C93—H93B110.4
C42—C43—C3993.6 (3)F1—B1—F4113.8 (4)
C42—C43—H43A113.0F1—B1—F2109.5 (3)
C39—C43—H43A113.0F4—B1—F2108.1 (3)
C42—C43—H43B113.0F1—B1—F3109.3 (4)
C39—C43—H43B113.0F4—B1—F3108.5 (4)
H43A—C43—H43B110.4F2—B1—F3107.5 (4)
C88—Rh2—C9066.08 (14)F5—B2—F6109.9 (4)
C88—Rh2—C8736.87 (13)F5—B2—F8109.7 (4)
C90—Rh2—C8777.21 (13)F6—B2—F8110.5 (4)
C88—Rh2—C9177.44 (14)F5—B2—F7110.0 (4)
C90—Rh2—C9136.31 (13)F6—B2—F7109.6 (4)
C87—Rh2—C9164.71 (13)F8—B2—F7107.0 (4)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C36—H36···F8i0.952.553.418 (5)152
C68—H68···F40.952.493.094 (5)122
C74—H74···F2ii0.952.483.395 (5)161
C86—H86···O20.952.373.152 (4)140
Symmetry codes: (i) x+1, y+1/2, z+1/2; (ii) x, y+1/2, z1/2.
{Bis[(2-diphenylphosphanyl)phenyl] ether-κ2P,P'}[η4-(Z,Z)-cycloocta-1,5-\ diene]rhodium(I) tetrafluoridoborate dichloromethane monosolvate (compII) top
Crystal data top
[Rh(C8H12)(C36H28OP2)]BF4·CH2Cl2Z = 2
Mr = 921.34F(000) = 940
Triclinic, P1Dx = 1.574 Mg m3
a = 11.3056 (3) ÅMo Kα radiation, λ = 0.71073 Å
b = 12.8231 (4) ÅCell parameters from 9759 reflections
c = 14.6101 (4) Åθ = 2.2–27.3°
α = 83.286 (1)°µ = 0.72 mm1
β = 74.695 (1)°T = 150 K
γ = 72.262 (1)°Rod, orange
V = 1944.29 (10) Å30.35 × 0.15 × 0.12 mm
Data collection top
Bruker APEXII CCD
diffractometer
7240 independent reflections
Radiation source: sealed tube6334 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.048
Detector resolution: 8.33 pixels mm-1θmax = 25.5°, θmin = 1.7°
φ and ω scansh = 1313
Absorption correction: multi-scan
(SADABS; Bruker, 2014)
k = 1515
Tmin = 0.863, Tmax = 0.996l = 1717
67143 measured reflections
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.045Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.127H-atom parameters constrained
S = 1.08 w = 1/[σ2(Fo2) + (0.0636P)2 + 6.1906P]
where P = (Fo2 + 2Fc2)/3
7240 reflections(Δ/σ)max = 0.002
533 parametersΔρmax = 1.53 e Å3
69 restraintsΔρmin = 1.06 e Å3
Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Rh10.45096 (3)0.19856 (2)0.36409 (2)0.01773 (11)
P10.47334 (9)0.11771 (8)0.21906 (7)0.0171 (2)
P20.62749 (9)0.27166 (8)0.30918 (7)0.0176 (2)
O10.7523 (2)0.0578 (2)0.23351 (18)0.0195 (6)
C10.7276 (3)0.2450 (3)0.1893 (3)0.0187 (8)
C20.7493 (4)0.3262 (4)0.1205 (3)0.0256 (9)
H20.71400.40110.13620.031*
C30.8218 (4)0.2994 (4)0.0294 (3)0.0291 (9)
H30.83560.35570.01690.035*
C40.8739 (4)0.1911 (4)0.0060 (3)0.0288 (9)
H40.92490.17300.05620.035*
C50.8525 (4)0.1086 (3)0.0724 (3)0.0237 (8)
H50.88780.03390.05630.028*
C60.7788 (4)0.1366 (3)0.1630 (3)0.0200 (8)
C70.7240 (4)0.0266 (3)0.1992 (3)0.0199 (8)
C80.8156 (4)0.1259 (3)0.1854 (3)0.0231 (8)
H80.89300.13860.20460.028*
C90.7941 (4)0.2073 (3)0.1433 (3)0.0283 (9)
H90.85590.27710.13440.034*
C100.6817 (4)0.1864 (4)0.1143 (3)0.0279 (9)
H100.66910.24010.08110.033*
C110.5883 (4)0.0887 (3)0.1331 (3)0.0233 (8)
H110.51060.07670.11450.028*
C120.6051 (4)0.0063 (3)0.1789 (3)0.0193 (8)
C130.7450 (4)0.2369 (3)0.3825 (3)0.0205 (8)
C140.8593 (4)0.1540 (4)0.3600 (3)0.0273 (9)
H140.87870.11340.30490.033*
C150.9463 (4)0.1296 (4)0.4178 (3)0.0331 (10)
H151.02350.07190.40230.040*
C160.9200 (4)0.1889 (4)0.4964 (3)0.0345 (10)
H160.97940.17290.53510.041*
C170.8074 (4)0.2720 (4)0.5194 (3)0.0338 (10)
H170.78960.31330.57380.041*
C180.7200 (4)0.2957 (4)0.4634 (3)0.0290 (9)
H180.64220.35250.48040.035*
C190.5799 (4)0.4218 (3)0.3056 (3)0.0206 (8)
C200.6676 (4)0.4788 (4)0.3045 (3)0.0267 (9)
H200.75100.43960.31160.032*
C210.6340 (5)0.5915 (4)0.2932 (3)0.0314 (10)
H210.69420.62970.29280.038*
C220.5132 (5)0.6489 (4)0.2825 (3)0.0318 (10)
H220.49010.72660.27500.038*
C230.4260 (4)0.5933 (4)0.2827 (3)0.0300 (9)
H230.34330.63290.27450.036*
C240.4581 (4)0.4807 (3)0.2948 (3)0.0237 (8)
H240.39710.44320.29570.028*
C250.4803 (4)0.2166 (3)0.1192 (3)0.0197 (8)
C260.5598 (4)0.1890 (3)0.0292 (3)0.0232 (8)
H260.61320.11620.01820.028*
C270.5602 (4)0.2688 (4)0.0442 (3)0.0290 (9)
H270.61610.25120.10490.035*
C280.4788 (4)0.3739 (4)0.0282 (3)0.0308 (10)
H280.47800.42770.07870.037*
C290.3987 (4)0.4014 (4)0.0603 (3)0.0301 (9)
H290.34320.47360.07060.036*
C300.4001 (4)0.3229 (3)0.1338 (3)0.0243 (8)
H300.34580.34160.19490.029*
C310.3398 (4)0.0673 (3)0.2132 (3)0.0205 (8)
C320.3212 (4)0.0267 (3)0.2661 (3)0.0247 (9)
H320.37430.06140.30810.030*
C330.2266 (4)0.0700 (4)0.2582 (3)0.0304 (10)
H330.21560.13440.29430.036*
C340.1480 (4)0.0198 (4)0.1981 (4)0.0353 (11)
H340.08260.04950.19320.042*
C350.1645 (4)0.0734 (4)0.1453 (3)0.0345 (10)
H350.11070.10780.10370.041*
C360.2596 (4)0.1170 (4)0.1529 (3)0.0269 (9)
H360.27020.18140.11670.032*
C370.3889 (4)0.3114 (4)0.4845 (3)0.0243 (9)
H370.43840.36600.47540.029*
C380.4538 (4)0.2081 (4)0.5132 (3)0.0271 (9)
H380.54020.20350.52160.033*
C390.3940 (4)0.1283 (4)0.5752 (3)0.0295 (9)
H39A0.36910.15100.64170.035*
H39B0.45830.05550.57180.035*
C400.2760 (4)0.1176 (4)0.5487 (3)0.0311 (10)
H40A0.26410.04480.57110.037*
H40B0.19920.17410.58090.037*
C410.2893 (4)0.1312 (4)0.4419 (3)0.0251 (9)
H410.28680.06540.41270.030*
C420.2416 (4)0.2295 (4)0.3951 (3)0.0247 (9)
H420.21050.22050.33930.030*
C430.1793 (4)0.3395 (4)0.4379 (3)0.0318 (10)
H43A0.08890.34470.46980.038*
H43B0.17960.39690.38630.038*
C440.2452 (4)0.3622 (4)0.5102 (3)0.0319 (10)
H44A0.22640.44230.51420.038*
H44B0.20900.33280.57370.038*
B10.0760 (4)0.6454 (3)0.2708 (3)0.0338 (12)
F10.0415 (3)0.6392 (3)0.2676 (3)0.0623 (9)
F20.0927 (10)0.7438 (6)0.2437 (12)0.091 (5)0.47 (2)
F30.0881 (9)0.6184 (12)0.3629 (4)0.068 (4)0.47 (2)
F40.1700 (5)0.5658 (10)0.2151 (9)0.073 (4)0.47 (2)
F2'0.1176 (11)0.5802 (9)0.3418 (9)0.091 (4)0.53 (2)
F3'0.1598 (8)0.6185 (16)0.1861 (7)0.129 (6)0.53 (2)
F4'0.0652 (9)0.7528 (4)0.2872 (11)0.081 (4)0.53 (2)
C450.0124 (7)0.4413 (5)0.1458 (5)0.0618 (17)
H45A0.04720.50060.15420.074*
H45B0.07730.47500.14140.074*
Cl10.01502 (15)0.35083 (15)0.24415 (12)0.0660 (4)
Cl20.10115 (16)0.37698 (15)0.04030 (12)0.0640 (4)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Rh10.01555 (16)0.02420 (18)0.01589 (17)0.00779 (12)0.00490 (11)0.00207 (11)
P10.0158 (5)0.0208 (5)0.0173 (5)0.0072 (4)0.0060 (4)0.0009 (4)
P20.0157 (5)0.0207 (5)0.0183 (5)0.0060 (4)0.0051 (4)0.0036 (4)
O10.0208 (13)0.0223 (14)0.0190 (13)0.0084 (11)0.0070 (11)0.0029 (11)
C10.0142 (17)0.027 (2)0.0187 (19)0.0089 (15)0.0058 (14)0.0032 (15)
C20.023 (2)0.031 (2)0.027 (2)0.0112 (17)0.0079 (17)0.0039 (17)
C30.033 (2)0.040 (3)0.022 (2)0.022 (2)0.0074 (18)0.0056 (18)
C40.026 (2)0.041 (3)0.021 (2)0.0157 (19)0.0008 (17)0.0069 (18)
C50.0175 (19)0.030 (2)0.025 (2)0.0077 (16)0.0032 (16)0.0082 (17)
C60.0171 (18)0.027 (2)0.0209 (19)0.0105 (16)0.0091 (15)0.0005 (16)
C70.0220 (19)0.023 (2)0.0173 (19)0.0107 (16)0.0043 (15)0.0001 (15)
C80.0200 (19)0.028 (2)0.022 (2)0.0085 (16)0.0050 (16)0.0009 (16)
C90.028 (2)0.023 (2)0.033 (2)0.0058 (17)0.0061 (18)0.0027 (17)
C100.031 (2)0.028 (2)0.028 (2)0.0136 (18)0.0036 (18)0.0080 (18)
C110.024 (2)0.029 (2)0.020 (2)0.0108 (17)0.0058 (16)0.0044 (16)
C120.0184 (18)0.0219 (19)0.0182 (19)0.0070 (15)0.0047 (15)0.0010 (15)
C130.0178 (18)0.026 (2)0.021 (2)0.0105 (16)0.0069 (15)0.0015 (16)
C140.027 (2)0.031 (2)0.027 (2)0.0064 (18)0.0105 (17)0.0076 (18)
C150.025 (2)0.037 (3)0.038 (3)0.0035 (19)0.0143 (19)0.007 (2)
C160.028 (2)0.053 (3)0.031 (2)0.015 (2)0.0155 (19)0.000 (2)
C170.029 (2)0.051 (3)0.026 (2)0.015 (2)0.0078 (18)0.010 (2)
C180.023 (2)0.039 (2)0.026 (2)0.0076 (18)0.0061 (17)0.0077 (18)
C190.0225 (19)0.0214 (19)0.0182 (19)0.0061 (16)0.0037 (15)0.0051 (15)
C200.023 (2)0.029 (2)0.029 (2)0.0084 (17)0.0061 (17)0.0048 (17)
C210.041 (3)0.030 (2)0.030 (2)0.018 (2)0.0080 (19)0.0065 (18)
C220.046 (3)0.023 (2)0.025 (2)0.0070 (19)0.0069 (19)0.0050 (17)
C230.031 (2)0.031 (2)0.023 (2)0.0008 (18)0.0049 (17)0.0036 (17)
C240.025 (2)0.027 (2)0.020 (2)0.0079 (17)0.0057 (16)0.0013 (16)
C250.0205 (19)0.023 (2)0.022 (2)0.0111 (15)0.0120 (16)0.0016 (15)
C260.024 (2)0.029 (2)0.023 (2)0.0104 (17)0.0108 (16)0.0024 (16)
C270.035 (2)0.041 (3)0.020 (2)0.022 (2)0.0095 (18)0.0023 (18)
C280.042 (3)0.029 (2)0.033 (2)0.020 (2)0.021 (2)0.0100 (18)
C290.035 (2)0.026 (2)0.036 (2)0.0123 (18)0.015 (2)0.0000 (18)
C300.025 (2)0.028 (2)0.025 (2)0.0123 (17)0.0098 (17)0.0005 (17)
C310.0189 (18)0.022 (2)0.0207 (19)0.0056 (15)0.0046 (15)0.0052 (15)
C320.024 (2)0.027 (2)0.025 (2)0.0087 (17)0.0055 (17)0.0032 (17)
C330.030 (2)0.030 (2)0.032 (2)0.0158 (18)0.0024 (18)0.0072 (18)
C340.026 (2)0.042 (3)0.046 (3)0.018 (2)0.005 (2)0.015 (2)
C350.026 (2)0.045 (3)0.039 (3)0.013 (2)0.015 (2)0.006 (2)
C360.026 (2)0.028 (2)0.031 (2)0.0097 (17)0.0123 (18)0.0001 (18)
C370.027 (2)0.033 (2)0.0152 (19)0.0127 (18)0.0007 (16)0.0087 (16)
C380.028 (2)0.042 (3)0.018 (2)0.0164 (19)0.0074 (17)0.0050 (18)
C390.031 (2)0.042 (3)0.018 (2)0.015 (2)0.0077 (17)0.0006 (18)
C400.030 (2)0.042 (3)0.024 (2)0.019 (2)0.0033 (18)0.0030 (19)
C410.021 (2)0.033 (2)0.023 (2)0.0113 (17)0.0045 (16)0.0020 (17)
C420.0172 (19)0.035 (2)0.025 (2)0.0103 (17)0.0058 (16)0.0029 (17)
C430.025 (2)0.036 (3)0.033 (2)0.0067 (19)0.0048 (18)0.0069 (19)
C440.028 (2)0.035 (2)0.032 (2)0.0084 (19)0.0020 (18)0.0105 (19)
B10.036 (3)0.037 (3)0.034 (3)0.011 (2)0.017 (2)0.000 (2)
F10.0435 (18)0.059 (2)0.093 (3)0.0135 (16)0.0293 (18)0.0085 (19)
F20.101 (8)0.061 (7)0.131 (11)0.048 (6)0.054 (8)0.042 (6)
F30.116 (8)0.072 (7)0.039 (5)0.055 (6)0.022 (5)0.005 (4)
F40.031 (4)0.074 (7)0.107 (8)0.026 (4)0.026 (4)0.046 (6)
F2'0.148 (9)0.041 (5)0.138 (9)0.044 (5)0.123 (8)0.031 (5)
F3'0.165 (11)0.193 (13)0.055 (6)0.131 (9)0.039 (6)0.044 (7)
F4'0.117 (8)0.049 (5)0.118 (9)0.036 (5)0.091 (6)0.007 (4)
C450.069 (4)0.056 (4)0.057 (4)0.015 (3)0.008 (3)0.014 (3)
Cl10.0485 (8)0.0719 (11)0.0640 (10)0.0032 (7)0.0115 (7)0.0083 (8)
Cl20.0563 (9)0.0741 (10)0.0551 (9)0.0005 (8)0.0193 (7)0.0150 (8)
Geometric parameters (Å, º) top
Rh1—C382.206 (4)C24—H240.9500
Rh1—C422.206 (4)C25—C301.391 (6)
Rh1—C372.237 (4)C25—C261.397 (6)
Rh1—C412.239 (4)C26—C271.393 (6)
Rh1—P22.3715 (10)C26—H260.9500
Rh1—P12.3872 (10)C27—C281.387 (7)
P1—C251.820 (4)C27—H270.9500
P1—C311.839 (4)C28—C291.382 (7)
P1—C121.845 (4)C28—H280.9500
P2—C11.823 (4)C29—C301.384 (6)
P2—C191.832 (4)C29—H290.9500
P2—C131.841 (4)C30—H300.9500
O1—C71.396 (5)C31—C361.393 (6)
O1—C61.396 (5)C31—C321.395 (6)
C1—C61.391 (6)C32—C331.380 (6)
C1—C21.391 (6)C32—H320.9500
C2—C31.386 (6)C33—C341.380 (7)
C2—H20.9500C33—H330.9500
C3—C41.378 (6)C34—C351.380 (7)
C3—H30.9500C34—H340.9500
C4—C51.383 (6)C35—C361.388 (6)
C4—H40.9500C35—H350.9500
C5—C61.386 (6)C36—H360.9500
C5—H50.9500C37—C381.381 (6)
C7—C81.371 (6)C37—C441.515 (6)
C7—C121.394 (5)C37—H371.0000
C8—C91.383 (6)C38—C391.486 (6)
C8—H80.9500C38—H381.0000
C9—C101.385 (6)C39—C401.531 (6)
C9—H90.9500C39—H39A0.9900
C10—C111.372 (6)C39—H39B0.9900
C10—H100.9500C40—C411.522 (6)
C11—C121.399 (5)C40—H40A0.9900
C11—H110.9500C40—H40B0.9900
C13—C141.388 (6)C41—C421.387 (6)
C13—C181.396 (6)C41—H411.0000
C14—C151.402 (6)C42—C431.499 (6)
C14—H140.9500C42—H421.0000
C15—C161.368 (7)C43—C441.541 (6)
C15—H150.9500C43—H43A0.9900
C16—C171.379 (7)C43—H43B0.9900
C16—H160.9500C44—H44A0.9900
C17—C181.386 (6)C44—H44B0.9900
C17—H170.9500B1—F21.333 (5)
C18—H180.9500B1—F2'1.346 (5)
C19—C241.395 (6)B1—F3'1.353 (5)
C19—C201.396 (6)B1—F11.367 (4)
C20—C211.380 (6)B1—F31.380 (5)
C20—H200.9500B1—F41.381 (5)
C21—C221.380 (7)B1—F4'1.389 (5)
C21—H210.9500C45—Cl11.739 (7)
C22—C231.381 (7)C45—Cl21.743 (6)
C22—H220.9500C45—H45A0.9900
C23—C241.380 (6)C45—H45B0.9900
C23—H230.9500
C38—Rh1—C4294.41 (16)C30—C25—P1117.7 (3)
C38—Rh1—C3736.22 (16)C26—C25—P1122.6 (3)
C42—Rh1—C3779.76 (15)C27—C26—C25119.6 (4)
C38—Rh1—C4178.44 (15)C27—C26—H26120.2
C42—Rh1—C4136.35 (16)C25—C26—H26120.2
C37—Rh1—C4185.81 (15)C28—C27—C26119.8 (4)
C38—Rh1—P291.28 (11)C28—C27—H27120.1
C42—Rh1—P2147.20 (12)C26—C27—H27120.1
C37—Rh1—P286.14 (11)C29—C28—C27120.9 (4)
C41—Rh1—P2169.71 (11)C29—C28—H28119.6
C38—Rh1—P1158.62 (12)C27—C28—H28119.6
C42—Rh1—P189.90 (11)C28—C29—C30119.4 (4)
C37—Rh1—P1163.98 (11)C28—C29—H29120.3
C41—Rh1—P193.11 (11)C30—C29—H29120.3
P2—Rh1—P196.39 (3)C29—C30—C25120.7 (4)
C25—P1—C31102.70 (17)C29—C30—H30119.7
C25—P1—C12105.69 (18)C25—C30—H30119.7
C31—P1—C1298.00 (17)C36—C31—C32118.3 (4)
C25—P1—Rh1111.48 (13)C36—C31—P1121.8 (3)
C31—P1—Rh1115.73 (13)C32—C31—P1119.9 (3)
C12—P1—Rh1120.98 (13)C33—C32—C31120.8 (4)
C1—P2—C19100.57 (18)C33—C32—H32119.6
C1—P2—C13103.07 (17)C31—C32—H32119.6
C19—P2—C13102.02 (18)C32—C33—C34120.2 (4)
C1—P2—Rh1119.61 (12)C32—C33—H33119.9
C19—P2—Rh1112.88 (13)C34—C33—H33119.9
C13—P2—Rh1116.18 (13)C35—C34—C33119.9 (4)
C7—O1—C6112.7 (3)C35—C34—H34120.0
C6—C1—C2117.8 (4)C33—C34—H34120.0
C6—C1—P2117.8 (3)C34—C35—C36120.0 (4)
C2—C1—P2124.3 (3)C34—C35—H35120.0
C3—C2—C1120.9 (4)C36—C35—H35120.0
C3—C2—H2119.5C35—C36—C31120.7 (4)
C1—C2—H2119.5C35—C36—H36119.6
C4—C3—C2120.0 (4)C31—C36—H36119.6
C4—C3—H3120.0C38—C37—C44125.9 (4)
C2—C3—H3120.0C38—C37—Rh170.7 (2)
C3—C4—C5120.4 (4)C44—C37—Rh1111.9 (3)
C3—C4—H4119.8C38—C37—H37113.5
C5—C4—H4119.8C44—C37—H37113.5
C4—C5—C6118.9 (4)Rh1—C37—H37113.5
C4—C5—H5120.5C37—C38—C39125.6 (4)
C6—C5—H5120.5C37—C38—Rh173.1 (2)
C5—C6—C1121.9 (4)C39—C38—Rh1110.8 (3)
C5—C6—O1122.1 (4)C37—C38—H38113.4
C1—C6—O1116.0 (3)C39—C38—H38113.4
C8—C7—C12122.7 (4)Rh1—C38—H38113.4
C8—C7—O1118.4 (3)C38—C39—C40113.8 (4)
C12—C7—O1118.8 (3)C38—C39—H39A108.8
C7—C8—C9119.3 (4)C40—C39—H39A108.8
C7—C8—H8120.4C38—C39—H39B108.8
C9—C8—H8120.4C40—C39—H39B108.8
C8—C9—C10119.4 (4)H39A—C39—H39B107.7
C8—C9—H9120.3C41—C40—C39111.5 (3)
C10—C9—H9120.3C41—C40—H40A109.3
C11—C10—C9120.4 (4)C39—C40—H40A109.3
C11—C10—H10119.8C41—C40—H40B109.3
C9—C10—H10119.8C39—C40—H40B109.3
C10—C11—C12121.4 (4)H40A—C40—H40B108.0
C10—C11—H11119.3C42—C41—C40124.1 (4)
C12—C11—H11119.3C42—C41—Rh170.5 (2)
C7—C12—C11116.3 (4)C40—C41—Rh1113.4 (3)
C7—C12—P1121.6 (3)C42—C41—H41113.8
C11—C12—P1122.0 (3)C40—C41—H41113.8
C14—C13—C18118.2 (4)Rh1—C41—H41113.8
C14—C13—P2122.3 (3)C41—C42—C43126.8 (4)
C18—C13—P2119.5 (3)C41—C42—Rh173.1 (2)
C13—C14—C15120.7 (4)C43—C42—Rh1108.3 (3)
C13—C14—H14119.7C41—C42—H42113.6
C15—C14—H14119.7C43—C42—H42113.6
C16—C15—C14120.0 (4)Rh1—C42—H42113.6
C16—C15—H15120.0C42—C43—C44113.6 (4)
C14—C15—H15120.0C42—C43—H43A108.8
C15—C16—C17120.0 (4)C44—C43—H43A108.8
C15—C16—H16120.0C42—C43—H43B108.8
C17—C16—H16120.0C44—C43—H43B108.8
C16—C17—C18120.4 (4)H43A—C43—H43B107.7
C16—C17—H17119.8C37—C44—C43112.8 (4)
C18—C17—H17119.8C37—C44—H44A109.0
C17—C18—C13120.7 (4)C43—C44—H44A109.0
C17—C18—H18119.6C37—C44—H44B109.0
C13—C18—H18119.6C43—C44—H44B109.0
C24—C19—C20118.9 (4)H44A—C44—H44B107.8
C24—C19—P2119.9 (3)F2'—B1—F3'111.1 (4)
C20—C19—P2121.0 (3)F2—B1—F1113.1 (4)
C21—C20—C19120.5 (4)F2'—B1—F1110.8 (4)
C21—C20—H20119.8F3'—B1—F1109.6 (4)
C19—C20—H20119.8F2—B1—F3110.5 (4)
C20—C21—C22120.1 (4)F1—B1—F3107.4 (4)
C20—C21—H21119.9F2—B1—F4110.3 (4)
C22—C21—H21119.9F1—B1—F4109.1 (4)
C21—C22—C23119.9 (4)F3—B1—F4106.1 (4)
C21—C22—H22120.1F2'—B1—F4'108.5 (4)
C23—C22—H22120.1F3'—B1—F4'108.1 (4)
C24—C23—C22120.5 (4)F1—B1—F4'108.6 (4)
C24—C23—H23119.8Cl1—C45—Cl2112.3 (4)
C22—C23—H23119.8Cl1—C45—H45A109.1
C23—C24—C19120.2 (4)Cl2—C45—H45A109.1
C23—C24—H24119.9Cl1—C45—H45B109.1
C19—C24—H24119.9Cl2—C45—H45B109.1
C30—C25—C26119.6 (4)H45A—C45—H45B107.9
{Bis[(2-diphenylphosphanyl)phenyl] ether-κ2P,P'}chlorido(η4-norbornadiene)rhodium(I) (compIII) top
Crystal data top
[RhCl(C7H8)(C36H28OP2)]Z = 2
Mr = 769.02F(000) = 788
Triclinic, P1Dx = 1.475 Mg m3
a = 10.3662 (5) ÅMo Kα radiation, λ = 0.71073 Å
b = 12.0008 (5) ÅCell parameters from 9691 reflections
c = 15.4693 (7) Åθ = 2.6–31.2°
α = 83.690 (1)°µ = 0.70 mm1
β = 89.763 (1)°T = 150 K
γ = 64.953 (1)°Part of prism, orange
V = 1730.97 (14) Å30.50 × 0.48 × 0.25 mm
Data collection top
Bruker APEXII CCD
diffractometer
7974 independent reflections
Radiation source: sealed tube7275 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.031
Detector resolution: 8.33 pixels mm-1θmax = 27.5°, θmin = 1.9°
φ and ω scansh = 1313
Absorption correction: multi-scan
(SADABS; Bruker, 2014)
k = 1515
Tmin = 0.664, Tmax = 0.746l = 2020
64995 measured reflections
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.026Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.072H-atom parameters constrained
S = 1.03 w = 1/[σ2(Fo2) + (0.0413P)2 + 1.554P]
where P = (Fo2 + 2Fc2)/3
7974 reflections(Δ/σ)max = 0.003
433 parametersΔρmax = 1.16 e Å3
0 restraintsΔρmin = 0.70 e Å3
Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Rh11.07989 (2)0.21759 (2)0.30726 (2)0.01270 (5)
Cl11.20283 (5)0.31386 (4)0.20391 (3)0.02132 (9)
P10.85872 (5)0.39646 (4)0.31868 (3)0.01297 (9)
P21.02150 (5)0.14945 (4)0.18453 (3)0.01324 (9)
O10.85019 (13)0.42711 (12)0.13561 (8)0.0162 (2)
C10.70458 (18)0.42145 (15)0.24915 (11)0.0147 (3)
C20.57564 (19)0.42547 (16)0.27923 (12)0.0184 (3)
H20.55930.42590.33970.022*
C30.4709 (2)0.42886 (17)0.22183 (13)0.0218 (4)
H30.38300.43260.24280.026*
C40.4952 (2)0.42670 (18)0.13420 (13)0.0235 (4)
H40.42480.42620.09530.028*
C50.6211 (2)0.42525 (17)0.10194 (12)0.0204 (4)
H50.63700.42480.04140.025*
C60.72331 (18)0.42441 (15)0.16025 (12)0.0153 (3)
C70.91518 (19)0.36680 (17)0.06443 (11)0.0162 (3)
C80.8974 (2)0.43709 (18)0.01502 (12)0.0210 (4)
H80.83660.52330.02150.025*
C90.9690 (2)0.3808 (2)0.08567 (13)0.0249 (4)
H90.95850.42840.14070.030*
C101.0556 (2)0.2553 (2)0.07520 (13)0.0254 (4)
H101.10460.21630.12330.030*
C111.0716 (2)0.18543 (18)0.00530 (12)0.0214 (4)
H111.13090.09900.01120.026*
C121.00251 (19)0.23973 (17)0.07759 (11)0.0159 (3)
C130.85892 (19)0.54987 (16)0.30641 (11)0.0154 (3)
C140.9844 (2)0.55985 (17)0.32501 (13)0.0204 (4)
H141.07060.48720.33830.024*
C150.9840 (2)0.67632 (19)0.32411 (14)0.0259 (4)
H151.07000.68270.33700.031*
C160.8595 (2)0.78228 (18)0.30454 (13)0.0237 (4)
H160.85960.86140.30460.028*
C170.7346 (2)0.77329 (17)0.28491 (13)0.0248 (4)
H170.64910.84620.27080.030*
C180.7341 (2)0.65761 (17)0.28574 (13)0.0217 (4)
H180.64800.65190.27210.026*
C190.78369 (18)0.39507 (16)0.42680 (11)0.0159 (3)
C200.7357 (2)0.49589 (17)0.47469 (12)0.0206 (4)
H200.74300.56980.45210.025*
C210.6775 (2)0.48946 (19)0.55510 (13)0.0247 (4)
H210.64600.55880.58710.030*
C220.6649 (2)0.38321 (19)0.58903 (13)0.0232 (4)
H220.62390.37960.64370.028*
C230.7126 (2)0.28231 (18)0.54261 (13)0.0237 (4)
H230.70440.20890.56540.028*
C240.7724 (2)0.28787 (18)0.46296 (13)0.0223 (4)
H240.80650.21720.43230.027*
C251.16252 (19)0.00107 (16)0.16620 (11)0.0175 (3)
C261.2977 (2)0.00762 (18)0.14854 (13)0.0226 (4)
H261.31310.06540.14420.027*
C271.4099 (2)0.1205 (2)0.13728 (14)0.0283 (4)
H271.50120.12420.12440.034*
C281.3884 (2)0.2278 (2)0.14481 (15)0.0326 (5)
H281.46510.30500.13740.039*
C291.2557 (2)0.22181 (19)0.16299 (16)0.0336 (5)
H291.24120.29530.16830.040*
C301.1426 (2)0.10908 (18)0.17367 (14)0.0249 (4)
H301.05140.10600.18610.030*
C310.86064 (18)0.12194 (15)0.18250 (12)0.0159 (3)
C320.8073 (2)0.10231 (18)0.10555 (13)0.0225 (4)
H320.85780.09810.05370.027*
C330.6809 (2)0.0890 (2)0.10472 (15)0.0283 (4)
H330.64560.07500.05240.034*
C340.6056 (2)0.09599 (19)0.17964 (15)0.0272 (4)
H340.51780.08870.17840.033*
C350.6587 (2)0.11357 (18)0.25642 (14)0.0243 (4)
H350.60800.11750.30810.029*
C360.78629 (19)0.12541 (16)0.25774 (12)0.0184 (3)
H360.82310.13600.31080.022*
C371.1239 (2)0.23985 (18)0.44560 (12)0.0215 (4)
H371.07440.31900.47180.026*
C381.2481 (2)0.20993 (19)0.40300 (13)0.0229 (4)
H381.29730.26600.39470.028*
C391.3283 (2)0.06891 (19)0.41552 (13)0.0247 (4)
H391.43270.03260.40530.030*
C401.2329 (2)0.03795 (17)0.35620 (12)0.0221 (4)
H401.27200.03150.31930.027*
C411.1022 (2)0.06786 (17)0.39951 (12)0.0214 (4)
H411.04360.02020.39590.026*
C421.1229 (2)0.11672 (19)0.48403 (12)0.0232 (4)
H421.05560.11990.53120.028*
C431.2834 (2)0.0384 (2)0.50660 (13)0.0275 (4)
H43A1.32050.06910.55300.033*
H43B1.30810.05090.52140.033*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Rh10.01421 (7)0.01120 (7)0.01362 (7)0.00617 (5)0.00184 (5)0.00199 (5)
Cl10.0223 (2)0.0227 (2)0.0237 (2)0.01450 (18)0.00180 (17)0.00137 (17)
P10.0148 (2)0.01177 (19)0.0132 (2)0.00625 (16)0.00007 (15)0.00252 (15)
P20.0151 (2)0.01214 (19)0.0137 (2)0.00662 (16)0.00044 (15)0.00288 (15)
O10.0166 (6)0.0187 (6)0.0158 (6)0.0094 (5)0.0012 (5)0.0040 (5)
C10.0147 (8)0.0105 (7)0.0185 (8)0.0047 (6)0.0017 (6)0.0030 (6)
C20.0170 (8)0.0158 (8)0.0221 (9)0.0063 (7)0.0018 (7)0.0037 (7)
C30.0149 (8)0.0203 (9)0.0315 (10)0.0086 (7)0.0004 (7)0.0038 (8)
C40.0198 (9)0.0221 (9)0.0289 (10)0.0091 (8)0.0078 (7)0.0031 (8)
C50.0211 (9)0.0212 (9)0.0181 (9)0.0079 (7)0.0036 (7)0.0030 (7)
C60.0141 (8)0.0110 (7)0.0195 (8)0.0041 (6)0.0004 (6)0.0016 (6)
C70.0173 (8)0.0198 (8)0.0151 (8)0.0109 (7)0.0006 (6)0.0043 (7)
C80.0239 (9)0.0215 (9)0.0202 (9)0.0126 (8)0.0029 (7)0.0001 (7)
C90.0333 (11)0.0312 (10)0.0156 (9)0.0199 (9)0.0003 (7)0.0013 (7)
C100.0315 (10)0.0330 (11)0.0164 (9)0.0174 (9)0.0054 (8)0.0070 (8)
C110.0246 (9)0.0224 (9)0.0190 (9)0.0108 (8)0.0025 (7)0.0066 (7)
C120.0188 (8)0.0192 (8)0.0128 (8)0.0110 (7)0.0011 (6)0.0016 (6)
C130.0217 (9)0.0150 (8)0.0119 (8)0.0097 (7)0.0008 (6)0.0029 (6)
C140.0205 (9)0.0181 (9)0.0239 (9)0.0092 (7)0.0007 (7)0.0032 (7)
C150.0285 (10)0.0238 (10)0.0318 (11)0.0167 (8)0.0009 (8)0.0061 (8)
C160.0377 (11)0.0174 (9)0.0213 (9)0.0159 (8)0.0018 (8)0.0051 (7)
C170.0310 (10)0.0139 (8)0.0261 (10)0.0066 (8)0.0034 (8)0.0010 (7)
C180.0224 (9)0.0168 (9)0.0255 (10)0.0082 (7)0.0040 (7)0.0020 (7)
C190.0156 (8)0.0180 (8)0.0140 (8)0.0069 (7)0.0003 (6)0.0028 (6)
C200.0246 (9)0.0185 (9)0.0202 (9)0.0100 (7)0.0028 (7)0.0049 (7)
C210.0315 (10)0.0233 (9)0.0215 (9)0.0123 (8)0.0060 (8)0.0093 (7)
C220.0243 (9)0.0262 (10)0.0173 (9)0.0091 (8)0.0048 (7)0.0027 (7)
C230.0301 (10)0.0197 (9)0.0217 (9)0.0114 (8)0.0037 (8)0.0006 (7)
C240.0295 (10)0.0175 (9)0.0209 (9)0.0105 (8)0.0047 (7)0.0052 (7)
C250.0207 (9)0.0152 (8)0.0154 (8)0.0057 (7)0.0024 (7)0.0044 (6)
C260.0197 (9)0.0233 (9)0.0252 (9)0.0082 (8)0.0005 (7)0.0074 (8)
C270.0191 (9)0.0319 (11)0.0297 (11)0.0052 (8)0.0010 (8)0.0109 (9)
C280.0280 (11)0.0224 (10)0.0371 (12)0.0013 (8)0.0063 (9)0.0114 (9)
C290.0340 (12)0.0155 (9)0.0479 (14)0.0067 (9)0.0077 (10)0.0060 (9)
C300.0235 (9)0.0170 (9)0.0332 (11)0.0078 (8)0.0029 (8)0.0027 (8)
C310.0168 (8)0.0117 (7)0.0199 (8)0.0066 (6)0.0018 (6)0.0026 (6)
C320.0246 (9)0.0246 (9)0.0224 (9)0.0130 (8)0.0001 (7)0.0082 (7)
C330.0280 (10)0.0287 (10)0.0329 (11)0.0156 (9)0.0080 (8)0.0079 (9)
C340.0194 (9)0.0222 (9)0.0439 (12)0.0125 (8)0.0029 (8)0.0042 (9)
C350.0223 (9)0.0217 (9)0.0312 (10)0.0116 (8)0.0047 (8)0.0034 (8)
C360.0196 (9)0.0160 (8)0.0212 (9)0.0089 (7)0.0002 (7)0.0025 (7)
C370.0255 (9)0.0206 (9)0.0174 (9)0.0079 (8)0.0083 (7)0.0060 (7)
C380.0240 (9)0.0256 (10)0.0225 (9)0.0138 (8)0.0095 (7)0.0022 (7)
C390.0200 (9)0.0255 (10)0.0236 (10)0.0046 (8)0.0066 (7)0.0031 (8)
C400.0267 (10)0.0149 (8)0.0194 (9)0.0038 (7)0.0077 (7)0.0013 (7)
C410.0299 (10)0.0185 (9)0.0174 (9)0.0130 (8)0.0073 (7)0.0028 (7)
C420.0283 (10)0.0274 (10)0.0150 (8)0.0136 (8)0.0038 (7)0.0001 (7)
C430.0318 (11)0.0245 (10)0.0217 (10)0.0084 (8)0.0106 (8)0.0009 (8)
Geometric parameters (Å, º) top
Rh1—C412.0990 (18)C20—C211.389 (3)
Rh1—C402.1196 (18)C20—H200.9500
Rh1—C372.2575 (18)C21—C221.383 (3)
Rh1—C382.2576 (18)C21—H210.9500
Rh1—P22.3258 (4)C22—C231.381 (3)
Rh1—P12.4101 (4)C22—H220.9500
Rh1—Cl12.5176 (5)C23—C241.385 (3)
P1—C11.8270 (18)C23—H230.9500
P1—C131.8309 (18)C24—H240.9500
P1—C191.8430 (18)C25—C301.389 (3)
P2—C251.8313 (18)C25—C261.398 (3)
P2—C311.8329 (18)C26—C271.390 (3)
P2—C121.8378 (18)C26—H260.9500
O1—C61.381 (2)C27—C281.389 (3)
O1—C71.395 (2)C27—H270.9500
C1—C61.387 (2)C28—C291.377 (3)
C1—C21.397 (2)C28—H280.9500
C2—C31.390 (3)C29—C301.392 (3)
C2—H20.9500C29—H290.9500
C3—C41.379 (3)C30—H300.9500
C3—H30.9500C31—C361.388 (3)
C4—C51.389 (3)C31—C321.399 (3)
C4—H40.9500C32—C331.385 (3)
C5—C61.390 (2)C32—H320.9500
C5—H50.9500C33—C341.385 (3)
C7—C81.378 (3)C33—H330.9500
C7—C121.397 (3)C34—C351.385 (3)
C8—C91.390 (3)C34—H340.9500
C8—H80.9500C35—C361.389 (3)
C9—C101.380 (3)C35—H350.9500
C9—H90.9500C36—H360.9500
C10—C111.391 (3)C37—C381.369 (3)
C10—H100.9500C37—C421.535 (3)
C11—C121.395 (3)C37—H371.0000
C11—H110.9500C38—C391.527 (3)
C13—C141.390 (3)C38—H381.0000
C13—C181.394 (3)C39—C401.534 (3)
C14—C151.395 (3)C39—C431.537 (3)
C14—H140.9500C39—H391.0000
C15—C161.380 (3)C40—C411.431 (3)
C15—H150.9500C40—H401.0000
C16—C171.381 (3)C41—C421.542 (3)
C16—H160.9500C41—H411.0000
C17—C181.389 (3)C42—C431.543 (3)
C17—H170.9500C42—H421.0000
C18—H180.9500C43—H43A0.9900
C19—C201.394 (3)C43—H43B0.9900
C19—C241.396 (3)
C41—Rh1—C4039.65 (8)C21—C20—H20119.6
C41—Rh1—C3765.27 (7)C19—C20—H20119.6
C40—Rh1—C3777.18 (7)C22—C21—C20120.67 (18)
C41—Rh1—C3877.18 (7)C22—C21—H21119.7
C40—Rh1—C3864.12 (7)C20—C21—H21119.7
C37—Rh1—C3835.29 (7)C23—C22—C21119.30 (18)
C41—Rh1—P298.93 (5)C23—C22—H22120.4
C40—Rh1—P293.07 (5)C21—C22—H22120.4
C37—Rh1—P2163.76 (5)C22—C23—C24120.17 (18)
C38—Rh1—P2149.05 (5)C22—C23—H23119.9
C41—Rh1—P1111.97 (6)C24—C23—H23119.9
C40—Rh1—P1150.95 (6)C23—C24—C19121.42 (18)
C37—Rh1—P184.19 (5)C23—C24—H24119.3
C38—Rh1—P1110.71 (5)C19—C24—H24119.3
P2—Rh1—P199.300 (15)C30—C25—C26119.04 (17)
C41—Rh1—Cl1146.68 (6)C30—C25—P2122.88 (15)
C40—Rh1—Cl1107.43 (6)C26—C25—P2117.99 (14)
C37—Rh1—Cl1109.86 (5)C27—C26—C25120.31 (19)
C38—Rh1—Cl182.40 (5)C27—C26—H26119.8
P2—Rh1—Cl185.314 (16)C25—C26—H26119.8
P1—Rh1—Cl199.737 (16)C28—C27—C26120.0 (2)
C1—P1—C13102.34 (8)C28—C27—H27120.0
C1—P1—C19100.25 (8)C26—C27—H27120.0
C13—P1—C19100.53 (8)C29—C28—C27119.79 (19)
C1—P1—Rh1119.00 (6)C29—C28—H28120.1
C13—P1—Rh1118.74 (6)C27—C28—H28120.1
C19—P1—Rh1112.93 (6)C28—C29—C30120.5 (2)
C25—P2—C31102.79 (8)C28—C29—H29119.7
C25—P2—C12101.48 (8)C30—C29—H29119.7
C31—P2—C12101.08 (8)C25—C30—C29120.3 (2)
C25—P2—Rh1110.32 (6)C25—C30—H30119.9
C31—P2—Rh1119.29 (6)C29—C30—H30119.9
C12—P2—Rh1119.31 (6)C36—C31—C32118.84 (17)
C6—O1—C7118.13 (13)C36—C31—P2119.77 (13)
C6—C1—C2118.07 (16)C32—C31—P2121.35 (14)
C6—C1—P1116.71 (13)C33—C32—C31120.15 (19)
C2—C1—P1124.90 (14)C33—C32—H32119.9
C3—C2—C1120.84 (18)C31—C32—H32119.9
C3—C2—H2119.6C34—C33—C32120.52 (19)
C1—C2—H2119.6C34—C33—H33119.7
C4—C3—C2119.60 (17)C32—C33—H33119.7
C4—C3—H3120.2C35—C34—C33119.69 (18)
C2—C3—H3120.2C35—C34—H34120.2
C3—C4—C5120.98 (18)C33—C34—H34120.2
C3—C4—H4119.5C34—C35—C36119.94 (19)
C5—C4—H4119.5C34—C35—H35120.0
C4—C5—C6118.47 (17)C36—C35—H35120.0
C4—C5—H5120.8C31—C36—C35120.83 (18)
C6—C5—H5120.8C31—C36—H36119.6
O1—C6—C1114.34 (15)C35—C36—H36119.6
O1—C6—C5123.69 (16)C38—C37—C42106.34 (17)
C1—C6—C5121.96 (17)C38—C37—Rh172.36 (11)
C8—C7—O1118.21 (16)C42—C37—Rh194.26 (11)
C8—C7—C12122.75 (17)C38—C37—H37123.4
O1—C7—C12118.91 (15)C42—C37—H37123.4
C7—C8—C9119.44 (18)Rh1—C37—H37123.4
C7—C8—H8120.3C37—C38—C39107.15 (17)
C9—C8—H8120.3C37—C38—Rh172.35 (11)
C10—C9—C8119.41 (18)C39—C38—Rh195.68 (11)
C10—C9—H9120.3C37—C38—H38122.9
C8—C9—H9120.3C39—C38—H38122.9
C9—C10—C11120.46 (18)Rh1—C38—H38122.9
C9—C10—H10119.8C38—C39—C4098.95 (14)
C11—C10—H10119.8C38—C39—C43100.92 (16)
C10—C11—C12121.37 (18)C40—C39—C43102.07 (17)
C10—C11—H11119.3C38—C39—H39117.3
C12—C11—H11119.3C40—C39—H39117.3
C11—C12—C7116.57 (16)C43—C39—H39117.3
C11—C12—P2122.22 (14)C41—C40—C39105.71 (16)
C7—C12—P2121.20 (13)C41—C40—Rh169.40 (10)
C14—C13—C18119.03 (16)C39—C40—Rh1101.22 (12)
C14—C13—P1119.09 (14)C41—C40—H40122.6
C18—C13—P1121.67 (14)C39—C40—H40122.6
C13—C14—C15120.08 (18)Rh1—C40—H40122.6
C13—C14—H14120.0C40—C41—C42105.23 (16)
C15—C14—H14120.0C40—C41—Rh170.95 (11)
C16—C15—C14120.35 (18)C42—C41—Rh1100.54 (12)
C16—C15—H15119.8C40—C41—H41122.6
C14—C15—H15119.8C42—C41—H41122.6
C15—C16—C17119.98 (18)Rh1—C41—H41122.6
C15—C16—H16120.0C37—C42—C4199.77 (14)
C17—C16—H16120.0C37—C42—C43100.46 (16)
C16—C17—C18120.02 (18)C41—C42—C43101.80 (16)
C16—C17—H17120.0C37—C42—H42117.3
C18—C17—H17120.0C41—C42—H42117.3
C17—C18—C13120.53 (18)C43—C42—H42117.3
C17—C18—H18119.7C39—C43—C4293.92 (15)
C13—C18—H18119.7C39—C43—H43A112.9
C20—C19—C24117.70 (17)C42—C43—H43A112.9
C20—C19—P1123.70 (14)C39—C43—H43B112.9
C24—C19—P1118.60 (14)C42—C43—H43B112.9
C21—C20—C19120.73 (18)H43A—C43—H43B110.4
C13—P1—C1—C678.46 (14)C19—C20—C21—C220.5 (3)
C19—P1—C1—C6178.26 (13)C20—C21—C22—C230.8 (3)
Rh1—P1—C1—C654.69 (15)C21—C22—C23—C240.0 (3)
C13—P1—C1—C2108.12 (16)C22—C23—C24—C191.2 (3)
C19—P1—C1—C24.84 (17)C20—C19—C24—C231.6 (3)
Rh1—P1—C1—C2118.72 (14)P1—C19—C24—C23177.80 (16)
C6—C1—C2—C31.8 (3)C31—P2—C25—C3014.58 (18)
P1—C1—C2—C3171.58 (14)C12—P2—C25—C30118.89 (17)
C1—C2—C3—C40.8 (3)Rh1—P2—C25—C30113.67 (16)
C2—C3—C4—C52.1 (3)C31—P2—C25—C26168.93 (15)
C3—C4—C5—C60.8 (3)C12—P2—C25—C2664.63 (16)
C7—O1—C6—C1146.38 (15)Rh1—P2—C25—C2662.82 (15)
C7—O1—C6—C534.0 (2)C30—C25—C26—C271.0 (3)
C2—C1—C6—O1176.54 (15)P2—C25—C26—C27177.64 (15)
P1—C1—C6—O19.57 (19)C25—C26—C27—C280.9 (3)
C2—C1—C6—C53.1 (3)C26—C27—C28—C290.3 (3)
P1—C1—C6—C5170.78 (14)C27—C28—C29—C300.2 (4)
C4—C5—C6—O1177.76 (16)C26—C25—C30—C290.5 (3)
C4—C5—C6—C11.9 (3)P2—C25—C30—C29176.95 (17)
C6—O1—C7—C899.74 (19)C28—C29—C30—C250.1 (3)
C6—O1—C7—C1284.3 (2)C25—P2—C31—C36113.61 (15)
O1—C7—C8—C9175.47 (16)C12—P2—C31—C36141.77 (14)
C12—C7—C8—C90.3 (3)Rh1—P2—C31—C368.78 (17)
C7—C8—C9—C100.7 (3)C25—P2—C31—C3269.01 (16)
C8—C9—C10—C110.2 (3)C12—P2—C31—C3235.61 (17)
C9—C10—C11—C120.6 (3)Rh1—P2—C31—C32168.59 (13)
C10—C11—C12—C71.0 (3)C36—C31—C32—C331.2 (3)
C10—C11—C12—P2179.81 (15)P2—C31—C32—C33176.19 (15)
C8—C7—C12—C110.5 (3)C31—C32—C33—C340.5 (3)
O1—C7—C12—C11176.28 (15)C32—C33—C34—C351.5 (3)
C8—C7—C12—P2179.34 (14)C33—C34—C35—C360.7 (3)
O1—C7—C12—P24.9 (2)C32—C31—C36—C352.0 (3)
C25—P2—C12—C118.30 (17)P2—C31—C36—C35175.42 (14)
C31—P2—C12—C1197.37 (16)C34—C35—C36—C311.1 (3)
Rh1—P2—C12—C11129.66 (14)C42—C37—C38—C391.29 (19)
C25—P2—C12—C7172.93 (15)Rh1—C37—C38—C3990.60 (13)
C31—P2—C12—C781.41 (15)C42—C37—C38—Rh189.31 (12)
Rh1—P2—C12—C751.57 (16)C37—C38—C39—C4071.69 (18)
C1—P1—C13—C14158.47 (15)Rh1—C38—C39—C401.56 (15)
C19—P1—C13—C1498.47 (15)C37—C38—C39—C4332.55 (19)
Rh1—P1—C13—C1425.16 (17)Rh1—C38—C39—C43105.80 (13)
C1—P1—C13—C1826.79 (17)C38—C39—C40—C4169.84 (18)
C19—P1—C13—C1876.27 (16)C43—C39—C40—C4133.44 (19)
Rh1—P1—C13—C18160.10 (13)C38—C39—C40—Rh11.69 (16)
C18—C13—C14—C150.9 (3)C43—C39—C40—Rh1104.97 (14)
P1—C13—C14—C15173.94 (15)C39—C40—C41—C420.20 (19)
C13—C14—C15—C160.2 (3)Rh1—C40—C41—C4296.12 (13)
C14—C15—C16—C170.6 (3)C39—C40—C41—Rh196.33 (13)
C15—C16—C17—C180.7 (3)C38—C37—C42—C4169.55 (18)
C16—C17—C18—C130.1 (3)Rh1—C37—C42—C413.30 (14)
C14—C13—C18—C170.9 (3)C38—C37—C42—C4334.50 (19)
P1—C13—C18—C17173.85 (15)Rh1—C37—C42—C43107.35 (13)
C1—P1—C19—C20100.80 (16)C40—C41—C42—C3769.34 (18)
C13—P1—C19—C203.94 (17)Rh1—C41—C42—C373.60 (15)
Rh1—P1—C19—C20131.50 (15)C40—C41—C42—C4333.61 (19)
C1—P1—C19—C2478.50 (16)Rh1—C41—C42—C43106.55 (14)
C13—P1—C19—C24176.75 (15)C38—C39—C43—C4250.49 (17)
Rh1—P1—C19—C2449.19 (16)C40—C39—C43—C4251.25 (17)
C24—C19—C20—C210.7 (3)C37—C42—C43—C3951.14 (17)
P1—C19—C20—C21178.63 (15)C41—C42—C43—C3951.27 (17)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C26—H26···Cl10.952.963.754 (2)142
 

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