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The title compound, [RhCl{P(OC8H9)3}2(CO)], where P(OC8H9)3 is tris(2,6-di­methyl­phenyl)­phosphite, crystallizes with two independent mol­ecules, both disordered over inversion centres. The Rh1-P1 and Rh2-P2 bond distances are 2.3097 (7) and 2.2995 (7) Å, respectively. The effective cone angle for the phosphite ligands was calculated as 182°.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804006270/hg6027sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804006270/hg6027Isup2.hkl
Contains datablock I

CCDC reference: 238668

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.005 Å
  • R factor = 0.044
  • wR factor = 0.093
  • Data-to-parameter ratio = 19.5

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.64 Ratio PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... O2 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C22 PLAT301_ALERT_3_C Main Residue Disorder ......................... 5.00 Perc. PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 2.30 Deg. C1 -CL1 -RH1 1.555 1.555 1.555 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 5.60 Deg. CL1 -C1 -O1 1.555 1.555 1.555 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 6.50 Deg. CL1 -O1 -C1 1.555 1.555 1.555 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 4.90 Deg. C2 -CL2 -RH2 1.555 1.555 1.555 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 6.10 Deg. CL2 -C2 -O2 1.555 1.555 1.555 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 6.90 Deg. CL2 -O2 -C2 1.555 1.555 1.555 PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 2 C49 H54 Cl O7 P2 Rh
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 12 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 9 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART-NT (Bruker, 1998); cell refinement: SAINT-Plus (Bruker, 1999); data reduction: SAINT-Plus and XPREP (Bruker, 1999); program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Brandenburg & Berndt, 2001); software used to prepare material for publication: WinGX (Farrugia, 1999).

(I) top
Crystal data top
[RhCl(C48H54O6P2)(CO)]Z = 2
Mr = 955.22F(000) = 992
Triclinic, P1Dx = 1.386 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 12.3892 (5) ÅCell parameters from 997 reflections
b = 13.1262 (5) Åθ = 2.3–19.9°
c = 14.6675 (6) ŵ = 0.55 mm1
α = 83.685 (2)°T = 293 K
β = 89.773 (2)°Plates, yellow
γ = 75.016 (2)°0.26 × 0.12 × 0.07 mm
V = 2289.45 (16) Å3
Data collection top
Bruker SMART 1K CCD
diffractometer
Rint = 0.070
Radiation source: fine focus sealed tubeθmax = 28.3°, θmin = 1.4°
ω scansh = 1416
27501 measured reflectionsk = 1716
11343 independent reflectionsl = 1919
6184 reflections with I > 2σ(I)
Refinement top
Refinement on F20 restraints
Least-squares matrix: fullH-atom parameters constrained
R[F2 > 2σ(F2)] = 0.044 w = 1/[σ2(Fo2) + (0.0332P)2]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.093(Δ/σ)max < 0.001
S = 0.91Δρmax = 0.35 e Å3
11343 reflectionsΔρmin = 0.44 e Å3
583 parameters
Special details top

Experimental. The intensity data were collected on a Siemens SMART CCD 1 K diffractometer

using an exposure time of 20 s/frame. A total of 2231 frames were collected with a frame width of 0.3° covering up to θ = 28.3° with 99.4% completeness accomplished. The first 50 frames were recollected at the end of the data collection to check for decay; none was found.

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Rh1000.50.03602 (10)
Rh20.50.500.03565 (10)
P10.15281 (6)0.06726 (6)0.51628 (5)0.03622 (19)
Cl10.0251 (4)0.0747 (4)0.3437 (2)0.0517 (11)0.5
O230.34970 (15)0.35303 (16)0.10108 (12)0.0417 (5)
O130.17393 (15)0.14038 (15)0.42755 (12)0.0401 (5)
O220.32557 (15)0.35156 (15)0.06128 (12)0.0424 (5)
O120.15823 (15)0.14727 (15)0.58964 (13)0.0441 (5)
O210.22971 (15)0.51601 (16)0.00752 (12)0.0427 (5)
O110.26965 (14)0.02083 (15)0.53548 (12)0.0389 (5)
C360.1069 (3)0.3291 (3)0.4256 (2)0.0520 (9)
C620.4104 (3)0.1644 (3)0.0916 (2)0.0595 (9)
C610.3281 (3)0.2519 (3)0.11272 (19)0.0464 (8)
C310.1963 (3)0.2415 (3)0.42262 (19)0.0456 (8)
C6210.5225 (3)0.1735 (3)0.0549 (3)0.0764 (11)
H62A0.54460.22860.0820.115*
H62B0.57740.10730.070.115*
H62C0.51630.19050.01060.115*
C3610.0112 (3)0.3209 (3)0.4347 (2)0.0699 (11)
H36A0.02530.2740.3930.105*
H36B0.06160.38990.42040.105*
H36C0.02230.29340.49640.105*
P20.34817 (6)0.42937 (6)0.00844 (5)0.0364 (2)
C410.2181 (2)0.6261 (3)0.0108 (2)0.0454 (8)
C320.3067 (3)0.2461 (3)0.4084 (2)0.0640 (10)
C350.1310 (4)0.4268 (3)0.4170 (2)0.0727 (12)
H350.07320.48780.41940.087*
C460.1805 (2)0.6945 (3)0.0688 (2)0.0503 (8)
C120.2952 (2)0.1688 (3)0.4450 (2)0.0462 (8)
C420.2366 (3)0.6619 (3)0.0935 (2)0.0526 (9)
C160.3044 (2)0.1973 (3)0.6121 (2)0.0439 (8)
C520.1648 (3)0.3884 (2)0.1626 (2)0.0499 (8)
C260.0772 (3)0.1476 (3)0.7375 (2)0.0565 (9)
C210.1727 (3)0.1307 (2)0.6854 (2)0.0457 (8)
C1610.3068 (3)0.1562 (2)0.70397 (19)0.0540 (9)
H16A0.31270.21340.7520.081*
H16B0.23930.1020.71050.081*
H16C0.370.12710.70790.081*
C150.3256 (3)0.3056 (3)0.6065 (2)0.0608 (9)
H150.33720.35230.66020.073*
C4210.2642 (3)0.5885 (3)0.1813 (2)0.0651 (10)
H42A0.33290.53570.17490.098*
H42B0.27230.62850.23060.098*
H42C0.20510.55450.19430.098*
C450.1668 (3)0.8021 (3)0.0637 (3)0.0682 (11)
H450.14090.85020.11520.082*
C1210.2857 (3)0.0967 (3)0.3566 (2)0.0578 (9)
H12A0.21080.05220.34840.087*
H12B0.30310.13870.30620.087*
H12C0.3370.05330.35860.087*
C560.3531 (3)0.3645 (3)0.2230 (2)0.0552 (9)
C130.3156 (3)0.2778 (3)0.4441 (2)0.0622 (10)
H130.320.30560.38810.075*
C510.2791 (3)0.3722 (2)0.15140 (19)0.0427 (7)
C110.2864 (2)0.1306 (2)0.5302 (2)0.0381 (7)
C530.1240 (3)0.4041 (3)0.2519 (3)0.0686 (11)
H530.04760.41620.26270.082*
C230.2884 (4)0.1007 (3)0.8180 (3)0.0896 (14)
H230.35860.08710.84620.108*
C540.1928 (4)0.4025 (3)0.3244 (3)0.0833 (14)
H540.16260.41520.38380.1*
C140.3296 (3)0.3449 (3)0.5234 (3)0.0728 (11)
H140.34180.41750.52120.087*
C440.1908 (3)0.8391 (3)0.0155 (3)0.0770 (12)
H440.18460.91110.01630.092*
C220.2795 (3)0.1117 (3)0.7230 (3)0.0597 (9)
C550.3053 (4)0.3824 (3)0.3113 (2)0.0766 (12)
H550.3510.38050.36180.092*
C4610.1546 (3)0.6529 (3)0.1562 (2)0.0662 (10)
H46A0.12330.71150.20160.099*
H46B0.22220.60980.17850.099*
H46C0.10210.61110.14390.099*
C5210.0887 (3)0.3838 (3)0.0831 (2)0.0652 (10)
H52A0.07510.44870.05540.098*
H52B0.01920.37440.10450.098*
H52C0.12330.32520.03860.098*
C2610.0375 (3)0.1871 (3)0.6939 (3)0.0864 (13)
H26A0.09140.17010.73610.13*
H26B0.04020.15370.63920.13*
H26C0.05430.26260.67860.13*
C2210.3797 (3)0.1076 (3)0.6639 (3)0.0948 (15)
H22A0.44290.10820.70140.142*
H22B0.36420.16820.61830.142*
H22C0.39610.04380.63430.142*
C5610.4781 (3)0.3294 (3)0.2076 (3)0.0842 (13)
H56A0.50170.25330.19670.126*
H56B0.5140.35310.2610.126*
H56C0.49830.35930.15540.126*
C340.2384 (5)0.4361 (4)0.4049 (3)0.0886 (15)
H340.25250.50270.39990.106*
C330.3241 (4)0.3476 (4)0.4003 (3)0.0890 (14)
H330.39610.35510.39150.107*
C640.2865 (5)0.0574 (4)0.1424 (3)0.1037 (19)
H640.2710.00860.15080.124*
C250.0925 (4)0.1336 (3)0.8318 (3)0.0824 (13)
H250.03070.14090.86910.099*
C430.2233 (3)0.7711 (3)0.0925 (3)0.0707 (11)
H430.23720.79780.14620.085*
C630.3868 (4)0.0664 (3)0.1063 (2)0.0828 (13)
H630.43920.00610.09150.099*
C240.1972 (6)0.1093 (3)0.8707 (3)0.0989 (17)
H240.2060.09850.93430.119*
C660.2277 (3)0.2459 (3)0.1522 (2)0.0639 (10)
C6610.1461 (3)0.3421 (4)0.1799 (2)0.0890 (14)
H66A0.08630.32140.21230.133*
H66B0.18320.37710.21910.133*
H66C0.11640.38970.12620.133*
C650.2097 (4)0.1448 (4)0.1660 (3)0.0950 (16)
H650.14350.13670.1920.114*
C10.0196 (13)0.0573 (13)0.3842 (7)0.041 (3)0.5
O10.0226 (13)0.0927 (12)0.3103 (6)0.051 (2)0.5
Cl20.4409 (3)0.5807 (3)0.1511 (2)0.0489 (9)0.5
C3210.3992 (3)0.1479 (4)0.3983 (3)0.1006 (15)
H32A0.39410.12640.33830.151*
H32B0.39230.09180.4440.151*
H32C0.47020.16290.40630.151*
C20.4591 (11)0.5573 (11)0.1139 (7)0.042 (3)0.5
O20.4347 (11)0.5990 (11)0.1859 (5)0.066 (3)0.5
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Rh10.03006 (19)0.0392 (2)0.0387 (2)0.01127 (16)0.00322 (14)0.00136 (15)
Rh20.0330 (2)0.0402 (2)0.03330 (19)0.01044 (16)0.00138 (14)0.00040 (15)
P10.0312 (4)0.0372 (5)0.0396 (4)0.0090 (4)0.0034 (3)0.0010 (3)
Cl10.0542 (14)0.068 (3)0.036 (3)0.0291 (18)0.001 (3)0.011 (3)
O230.0489 (12)0.0422 (14)0.0351 (11)0.0154 (10)0.0016 (9)0.0002 (9)
O130.0427 (12)0.0394 (13)0.0388 (11)0.0135 (10)0.0034 (9)0.0003 (9)
O220.0463 (12)0.0404 (14)0.0401 (12)0.0104 (10)0.0044 (9)0.0053 (9)
O120.0462 (12)0.0449 (14)0.0401 (12)0.0101 (10)0.0033 (9)0.0043 (9)
O210.0363 (11)0.0402 (14)0.0515 (13)0.0095 (10)0.0006 (9)0.0054 (10)
O110.0359 (11)0.0358 (13)0.0452 (12)0.0095 (9)0.0004 (9)0.0040 (9)
C360.081 (3)0.041 (2)0.0352 (17)0.019 (2)0.0050 (16)0.0011 (15)
C620.082 (3)0.046 (3)0.049 (2)0.017 (2)0.0172 (18)0.0025 (17)
C610.060 (2)0.048 (2)0.0344 (17)0.0242 (18)0.0098 (15)0.0053 (15)
C310.057 (2)0.046 (2)0.0365 (17)0.0220 (18)0.0003 (14)0.0049 (14)
C6210.074 (3)0.054 (3)0.091 (3)0.004 (2)0.001 (2)0.011 (2)
C3610.063 (2)0.054 (3)0.079 (3)0.0060 (19)0.002 (2)0.0013 (19)
P20.0344 (4)0.0388 (5)0.0359 (4)0.0097 (4)0.0003 (3)0.0036 (3)
C410.0336 (17)0.044 (2)0.057 (2)0.0066 (15)0.0103 (15)0.0096 (17)
C320.065 (2)0.072 (3)0.066 (2)0.040 (2)0.0048 (18)0.002 (2)
C350.131 (4)0.044 (3)0.044 (2)0.027 (3)0.011 (2)0.0035 (17)
C460.0433 (19)0.047 (2)0.058 (2)0.0095 (16)0.0067 (16)0.0018 (18)
C120.0407 (18)0.050 (2)0.0476 (19)0.0097 (15)0.0028 (14)0.0084 (16)
C420.048 (2)0.052 (2)0.060 (2)0.0140 (17)0.0200 (16)0.0146 (18)
C160.0410 (18)0.045 (2)0.0452 (19)0.0114 (15)0.0041 (14)0.0046 (15)
C520.056 (2)0.042 (2)0.054 (2)0.0131 (16)0.0138 (17)0.0106 (15)
C260.073 (3)0.056 (2)0.048 (2)0.0272 (19)0.0097 (18)0.0149 (17)
C210.057 (2)0.037 (2)0.0445 (19)0.0140 (16)0.0011 (16)0.0061 (14)
C1610.064 (2)0.049 (2)0.0470 (19)0.0136 (17)0.0028 (16)0.0008 (16)
C150.076 (3)0.044 (2)0.059 (2)0.0120 (19)0.0093 (18)0.0016 (18)
C4210.071 (2)0.077 (3)0.050 (2)0.019 (2)0.0115 (18)0.0178 (19)
C450.075 (3)0.044 (3)0.080 (3)0.011 (2)0.017 (2)0.008 (2)
C1210.064 (2)0.062 (2)0.047 (2)0.0156 (18)0.0096 (16)0.0062 (17)
C560.070 (3)0.050 (2)0.052 (2)0.0249 (19)0.0079 (18)0.0106 (17)
C130.079 (3)0.054 (3)0.054 (2)0.013 (2)0.0001 (18)0.0179 (19)
C510.059 (2)0.0359 (19)0.0355 (17)0.0166 (15)0.0019 (15)0.0050 (13)
C110.0292 (15)0.037 (2)0.0482 (19)0.0084 (13)0.0026 (13)0.0048 (15)
C530.082 (3)0.053 (3)0.067 (3)0.010 (2)0.033 (2)0.0089 (19)
C230.111 (4)0.049 (3)0.104 (4)0.010 (3)0.057 (3)0.010 (3)
C540.136 (4)0.061 (3)0.044 (2)0.010 (3)0.030 (3)0.0036 (19)
C140.104 (3)0.038 (2)0.077 (3)0.018 (2)0.007 (2)0.012 (2)
C440.103 (3)0.045 (3)0.087 (3)0.023 (2)0.032 (3)0.018 (2)
C220.061 (2)0.039 (2)0.078 (3)0.0069 (17)0.021 (2)0.0134 (18)
C550.127 (4)0.062 (3)0.044 (2)0.029 (3)0.018 (2)0.0074 (18)
C4610.061 (2)0.066 (3)0.070 (2)0.0200 (19)0.0186 (18)0.0124 (19)
C5210.048 (2)0.078 (3)0.077 (3)0.0265 (19)0.0030 (18)0.019 (2)
C2610.061 (3)0.101 (4)0.109 (3)0.026 (2)0.033 (2)0.052 (3)
C2210.047 (2)0.092 (4)0.156 (4)0.017 (2)0.014 (3)0.057 (3)
C5610.080 (3)0.092 (3)0.092 (3)0.030 (3)0.035 (2)0.039 (2)
C340.160 (5)0.073 (3)0.055 (3)0.076 (4)0.012 (3)0.005 (2)
C330.105 (4)0.110 (4)0.077 (3)0.076 (3)0.003 (3)0.001 (3)
C640.181 (6)0.090 (4)0.066 (3)0.091 (4)0.029 (3)0.020 (3)
C250.135 (4)0.073 (3)0.056 (3)0.052 (3)0.021 (3)0.017 (2)
C430.084 (3)0.062 (3)0.073 (3)0.022 (2)0.032 (2)0.029 (2)
C630.136 (4)0.051 (3)0.062 (3)0.032 (3)0.024 (3)0.009 (2)
C240.181 (6)0.067 (3)0.052 (3)0.043 (4)0.020 (3)0.002 (2)
C660.066 (2)0.091 (3)0.0424 (19)0.043 (2)0.0042 (17)0.0130 (19)
C6610.059 (3)0.143 (4)0.067 (3)0.037 (3)0.017 (2)0.005 (3)
C650.123 (4)0.127 (5)0.061 (3)0.092 (4)0.010 (3)0.023 (3)
C10.037 (5)0.046 (7)0.046 (8)0.020 (4)0.005 (7)0.000 (7)
O10.056 (4)0.069 (5)0.033 (6)0.033 (3)0.003 (5)0.019 (5)
Cl20.0547 (19)0.054 (3)0.036 (3)0.0192 (17)0.016 (2)0.014 (2)
C3210.053 (3)0.129 (4)0.128 (4)0.040 (3)0.027 (2)0.011 (3)
C20.037 (5)0.051 (7)0.037 (7)0.015 (5)0.007 (5)0.011 (5)
O20.068 (4)0.087 (6)0.041 (6)0.027 (4)0.026 (5)0.025 (5)
Geometric parameters (Å, º) top
Rh1—C11.771 (9)C15—C141.371 (4)
Rh1—C1i1.771 (9)C15—H150.93
Rh1—P1i2.3097 (7)C421—H42A0.96
Rh1—P12.3097 (7)C421—H42B0.96
Rh1—Cl12.380 (3)C421—H42C0.96
Rh1—Cl1i2.380 (3)C45—C441.368 (5)
Rh2—C2ii1.773 (8)C45—H450.93
Rh2—C21.773 (8)C121—H12A0.96
Rh2—P22.2995 (7)C121—H12B0.96
Rh2—P2ii2.2995 (7)C121—H12C0.96
Rh2—Cl2ii2.379 (3)C56—C511.387 (4)
Rh2—Cl22.379 (3)C56—C551.396 (5)
P1—O131.5923 (19)C56—C5611.508 (5)
P1—O121.597 (2)C13—C141.363 (5)
P1—O111.6056 (19)C13—H130.93
Cl1—O10.525 (7)C53—C541.359 (5)
Cl1—C10.610 (8)C53—H530.93
O23—C611.413 (3)C23—C241.354 (6)
O23—P21.5943 (19)C23—C221.387 (5)
O13—C311.419 (3)C23—H230.93
O22—C511.414 (3)C54—C551.360 (5)
O22—P21.596 (2)C54—H540.93
O12—C211.402 (3)C14—H140.93
O21—C411.422 (3)C44—C431.353 (5)
O21—P21.607 (2)C44—H440.93
O11—C111.413 (3)C22—C2211.504 (5)
C36—C311.379 (4)C55—H550.93
C36—C351.383 (4)C461—H46A0.96
C36—C3611.499 (4)C461—H46B0.96
C62—C631.386 (5)C461—H46C0.96
C62—C611.387 (4)C521—H52A0.96
C62—C6211.516 (5)C521—H52B0.96
C61—C661.387 (4)C521—H52C0.96
C31—C321.398 (4)C261—H26A0.96
C621—H62A0.96C261—H26B0.96
C621—H62B0.96C261—H26C0.96
C621—H62C0.96C221—H22A0.96
C361—H36A0.96C221—H22B0.96
C361—H36B0.96C221—H22C0.96
C361—H36C0.96C561—H56A0.96
C41—C421.388 (4)C561—H56B0.96
C41—C461.395 (4)C561—H56C0.96
C32—C331.396 (5)C34—C331.364 (6)
C32—C3211.509 (5)C34—H340.93
C35—C341.375 (5)C33—H330.93
C35—H350.93C64—C651.365 (6)
C46—C451.389 (4)C64—C631.377 (6)
C46—C4611.513 (4)C64—H640.93
C12—C131.388 (4)C25—C241.364 (6)
C12—C111.391 (4)C25—H250.93
C12—C1211.504 (4)C43—H430.93
C42—C431.399 (4)C63—H630.93
C42—C4211.504 (4)C24—H240.93
C16—C151.389 (4)C66—C651.395 (5)
C16—C111.389 (4)C66—C6611.494 (5)
C16—C1611.508 (4)C661—H66A0.96
C52—C531.381 (4)C661—H66B0.96
C52—C511.383 (4)C661—H66C0.96
C52—C5211.503 (4)C65—H650.93
C26—C251.383 (5)C1—O11.128 (12)
C26—C211.388 (4)Cl2—O20.537 (7)
C26—C2611.500 (5)Cl2—C20.609 (7)
C21—C221.387 (4)C321—H32A0.96
C161—H16A0.96C321—H32B0.96
C161—H16B0.96C321—H32C0.96
C161—H16C0.96C2—O21.139 (11)
C1—Rh1—C1i180.000 (2)C44—C45—H45119.3
C1—Rh1—P1i89.3 (5)C46—C45—H45119.3
C1i—Rh1—P1i90.7 (5)C12—C121—H12A109.5
C1—Rh1—P190.7 (5)C12—C121—H12B109.5
C1i—Rh1—P189.3 (5)H12A—C121—H12B109.5
P1i—Rh1—P1180.00 (4)C12—C121—H12C109.5
C1—Rh1—Cl10.8 (6)H12A—C121—H12C109.5
C1i—Rh1—Cl1179.2 (6)H12B—C121—H12C109.5
P1i—Rh1—Cl189.20 (11)C51—C56—C55116.0 (3)
P1—Rh1—Cl190.80 (11)C51—C56—C561122.5 (3)
C1—Rh1—Cl1i179.2 (6)C55—C56—C561121.2 (3)
C1i—Rh1—Cl1i0.8 (6)C14—C13—C12121.4 (3)
P1i—Rh1—Cl1i90.80 (11)C14—C13—H13119.3
P1—Rh1—Cl1i89.20 (11)C12—C13—H13119.3
Cl1—Rh1—Cl1i180.0000 (10)C52—C51—C56124.2 (3)
C2ii—Rh2—C2180.0 (9)C52—C51—O22118.4 (3)
C2ii—Rh2—P290.0 (5)C56—C51—O22117.1 (3)
C2—Rh2—P290.0 (5)C16—C11—C12122.6 (3)
C2ii—Rh2—P2ii90.0 (5)C16—C11—O11117.4 (3)
C2—Rh2—P2ii90.0 (5)C12—C11—O11119.8 (3)
P2—Rh2—P2ii180C54—C53—C52121.6 (4)
C2ii—Rh2—Cl2ii1.7 (5)C54—C53—H53119.2
C2—Rh2—Cl2ii178.3 (5)C52—C53—H53119.2
P2—Rh2—Cl2ii90.39 (10)C24—C23—C22121.5 (4)
P2ii—Rh2—Cl2ii89.61 (10)C24—C23—H23119.2
C2ii—Rh2—Cl2178.3 (5)C22—C23—H23119.2
C2—Rh2—Cl21.7 (5)C53—C54—C55120.9 (4)
P2—Rh2—Cl289.61 (10)C53—C54—H54119.6
P2ii—Rh2—Cl290.39 (10)C55—C54—H54119.6
Cl2ii—Rh2—Cl2180.00 (19)C13—C14—C15120.1 (4)
O13—P1—O1297.30 (11)C13—C14—H14119.9
O13—P1—O11104.23 (10)C15—C14—H14119.9
O12—P1—O11102.13 (10)C43—C44—C45120.2 (4)
O13—P1—Rh1113.24 (8)C43—C44—H44119.9
O12—P1—Rh1122.48 (7)C45—C44—H44119.9
O11—P1—Rh1114.74 (8)C23—C22—C21116.4 (4)
O1—Cl1—C1168 (2)C23—C22—C221121.8 (4)
O1—Cl1—Rh1168 (2)C21—C22—C221121.7 (3)
C1—Cl1—Rh12.3 (18)C54—C55—C56121.0 (4)
C61—O23—P2128.46 (17)C54—C55—H55119.5
C31—O13—P1128.29 (17)C56—C55—H55119.5
C51—O22—P2131.35 (18)C46—C461—H46A109.5
C21—O12—P1131.26 (18)C46—C461—H46B109.5
C41—O21—P2123.68 (17)H46A—C461—H46B109.5
C11—O11—P1125.21 (16)C46—C461—H46C109.5
C31—C36—C35116.5 (4)H46A—C461—H46C109.5
C31—C36—C361122.6 (3)H46B—C461—H46C109.5
C35—C36—C361120.9 (4)C52—C521—H52A109.5
C63—C62—C61117.2 (4)C52—C521—H52B109.5
C63—C62—C621120.5 (4)H52A—C521—H52B109.5
C61—C62—C621122.3 (3)C52—C521—H52C109.5
C66—C61—C62124.0 (3)H52A—C521—H52C109.5
C66—C61—O23116.8 (3)H52B—C521—H52C109.5
C62—C61—O23119.1 (3)C26—C261—H26A109.5
C36—C31—C32124.4 (3)C26—C261—H26B109.5
C36—C31—O13117.9 (3)H26A—C261—H26B109.5
C32—C31—O13117.5 (3)C26—C261—H26C109.5
C62—C621—H62A109.5H26A—C261—H26C109.5
C62—C621—H62B109.5H26B—C261—H26C109.5
H62A—C621—H62B109.5C22—C221—H22A109.5
C62—C621—H62C109.5C22—C221—H22B109.5
H62A—C621—H62C109.5H22A—C221—H22B109.5
H62B—C621—H62C109.5C22—C221—H22C109.5
C36—C361—H36A109.5H22A—C221—H22C109.5
C36—C361—H36B109.5H22B—C221—H22C109.5
H36A—C361—H36B109.5C56—C561—H56A109.5
C36—C361—H36C109.5C56—C561—H56B109.5
H36A—C361—H36C109.5H56A—C561—H56B109.5
H36B—C361—H36C109.5C56—C561—H56C109.5
O23—P2—O2297.80 (11)H56A—C561—H56C109.5
O23—P2—O21104.39 (10)H56B—C561—H56C109.5
O22—P2—O21102.43 (10)C33—C34—C35119.9 (4)
O23—P2—Rh2112.15 (8)C33—C34—H34120
O22—P2—Rh2123.18 (8)C35—C34—H34120
O21—P2—Rh2114.29 (8)C34—C33—C32121.9 (4)
C42—C41—C46122.9 (3)C34—C33—H33119.1
C42—C41—O21119.3 (3)C32—C33—H33119.1
C46—C41—O21117.6 (3)C65—C64—C63120.3 (5)
C33—C32—C31115.5 (4)C65—C64—H64119.8
C33—C32—C321122.7 (4)C63—C64—H64119.8
C31—C32—C321121.7 (3)C24—C25—C26120.7 (4)
C34—C35—C36121.7 (4)C24—C25—H25119.7
C34—C35—H35119.1C26—C25—H25119.7
C36—C35—H35119.1C44—C43—C42121.7 (4)
C45—C46—C41116.9 (3)C44—C43—H43119.1
C45—C46—C461121.9 (3)C42—C43—H43119.1
C41—C46—C461121.3 (3)C64—C63—C62120.6 (5)
C13—C12—C11117.2 (3)C64—C63—H63119.7
C13—C12—C121120.5 (3)C62—C63—H63119.7
C11—C12—C121122.3 (3)C23—C24—C25120.9 (4)
C41—C42—C43116.7 (3)C23—C24—H24119.6
C41—C42—C421122.2 (3)C25—C24—H24119.6
C43—C42—C421121.0 (3)C61—C66—C65115.8 (4)
C15—C16—C11117.2 (3)C61—C66—C661121.4 (3)
C15—C16—C161120.3 (3)C65—C66—C661122.7 (4)
C11—C16—C161122.4 (3)C66—C661—H66A109.5
C53—C52—C51116.2 (3)C66—C661—H66B109.5
C53—C52—C521121.0 (3)H66A—C661—H66B109.5
C51—C52—C521122.7 (3)C66—C661—H66C109.5
C25—C26—C21117.0 (4)H66A—C661—H66C109.5
C25—C26—C261121.1 (4)H66B—C661—H66C109.5
C21—C26—C261121.7 (3)C64—C65—C66121.9 (5)
C22—C21—C26123.1 (3)C64—C65—H65119
C22—C21—O12118.8 (3)C66—C65—H65119
C26—C21—O12117.5 (3)Cl1—C1—O15.6 (9)
C16—C161—H16A109.5Cl1—C1—Rh1177 (2)
C16—C161—H16B109.5O1—C1—Rh1174.2 (19)
H16A—C161—H16B109.5Cl1—O1—C16.5 (11)
C16—C161—H16C109.5O2—Cl2—C2167 (2)
H16A—C161—H16C109.5O2—Cl2—Rh2170.5 (18)
H16B—C161—H16C109.5C2—Cl2—Rh24.9 (16)
C14—C15—C16121.2 (3)C32—C321—H32A109.5
C14—C15—H15119.4C32—C321—H32B109.5
C16—C15—H15119.4H32A—C321—H32B109.5
C42—C421—H42A109.5C32—C321—H32C109.5
C42—C421—H42B109.5H32A—C321—H32C109.5
H42A—C421—H42B109.5H32B—C321—H32C109.5
C42—C421—H42C109.5Cl2—C2—O26.1 (9)
H42A—C421—H42C109.5Cl2—C2—Rh2173 (2)
H42B—C421—H42C109.5O2—C2—Rh2176.1 (19)
C44—C45—C46121.5 (4)Cl2—O2—C26.9 (10)
Cl1—Rh1—P1—O11114.49 (15)Cl2—Rh2—P2—O2166.04 (13)
Cl1—Rh1—P1—O12120.93 (15)Cl2—Rh2—P2—O2259.21 (14)
Cl1—Rh1—P1—O135.00 (15)Cl2—Rh2—P2—O23175.41 (13)
Symmetry codes: (i) x, y, z+1; (ii) x1, y1, z.
Comparative X-ray data for trans-[MCl(CO)(PX3)2] complexes. top
XM-P(Å)M-Cl(Å)P-M-P(°)Cl-M-C(°)ΘE(°)Footnote
O(2,6DMP)2.3097 (7)2.380 (3)180179.2 (6)182TW
2.2995 (7)2.379 (3)180178.3 (5)182
O(2tBP)2.2862.370180175.85181(i)
Bz2.3164 (15)2.3654 (15)177.67 (6)178.55 (17)170(ii)
2.3156 (16)172
(TW) This work; (i) Fernández et al., 1998; (ii) Muller et al., 2001; 2,6DMP = 2,6-dimethylphenyl; 2tBP = 2-tert-butylphenyl; Bz = benzyl.
 

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