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In the title compound, trans-[RhCl(C19H17P)2(CO)], selected geometrical parameters are: Rh—P = 2.3204 (5) and 2.3365 (5) Å, Rh—Cl = 2.3687 (5) Å and Rh—C = 1.8007 (15) Å, and P—Rh—P = 179.005 (16)°, P—Rh—Cl = 88.807 (15)° and 90.529 (15)°, and Rh—C[triple bond]O = 176.43 (13)°. The effective cone angles for the phosphine ligands were calculated to be 156 and 160°.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806006076/hg2009sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806006076/hg2009Isup2.hkl
Contains datablock I

CCDC reference: 605074

Key indicators

  • Single-crystal X-ray study
  • T = 150 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.023
  • wR factor = 0.057
  • Data-to-parameter ratio = 20.9

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Rh - C .. 11.92 su
Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.69 Ratio PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 2 P2 -RH -P1 -C11 113.00 0.80 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 5 P2 -RH -P1 -C21 -126.90 0.80 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 8 P2 -RH -P1 -C1 -8.50 0.80 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 11 P1 -RH -P2 -C51 134.00 0.80 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 14 P1 -RH -P2 -C41 -107.40 0.80 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 17 P1 -RH -P2 -C2 13.80 0.80 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 19 P1 -RH -C -O -81.00 2.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 20 P2 -RH -C -O 100.00 2.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 21 CL -RH -C -O 7.00 2.00 1.555 1.555 1.555 1.555
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 10 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 9 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: APEX2 (Bruker, 2005); cell refinement: SAINT-Plus (Bruker, 2004); data reduction: SAINT-Plus and XPREP (Bruker 2004); program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Brandenburg & Putz, 2005); software used to prepare material for publication: WinGX (Farrugia, 1999).

trans-Carbonylchlorobis(benzyldiphenylphosphine)rhodium(I) top
Crystal data top
[RhCl(C19H17P)2(CO)]Z = 2
Mr = 718.96F(000) = 736
Triclinic, P1Dx = 1.428 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 9.5651 (12) ÅCell parameters from 9178 reflections
b = 11.9457 (16) Åθ = 2.5–28.3°
c = 16.4284 (18) ŵ = 0.72 mm1
α = 68.873 (4)°T = 150 K
β = 80.939 (5)°Plate, yellow
γ = 73.061 (5)°0.34 × 0.24 × 0.05 mm
V = 1672.1 (4) Å3
Data collection top
Bruker X8 APEX-II Kappa 4K CCD
diffractometer
8287 independent reflections
Radiation source: fine-focus sealed tube7426 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.029
Detector resolution: 512 pixels mm-1θmax = 28.3°, θmin = 1.9°
ω scansh = 1212
Absorption correction: multi-scan
SADABS (Bruker, 1998)
k = 1515
Tmin = 0.793, Tmax = 0.965l = 2121
34434 measured reflections
Refinement top
Refinement on F20 restraints
Least-squares matrix: fullH-atom parameters constrained
R[F2 > 2σ(F2)] = 0.023 w = 1/[σ2(Fo2) + (0.0236P)2 + 0.8407P]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.057(Δ/σ)max = 0.001
S = 1.03Δρmax = 0.41 e Å3
8287 reflectionsΔρmin = 0.31 e Å3
397 parameters
Special details top

Experimental. The intensity data were collected on a Bruker X8 Apex II diffractometer using an exposure time of 10 s/frame. A total of 2250 frames were collected with a frame width of 0.5° covering up to θ = 28.33° with 99.6% completeness accomplished.

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*/Ueq
Rh0.639395 (12)0.044532 (10)0.211494 (7)0.01602 (4)
Cl0.48133 (5)0.14397 (3)0.09456 (2)0.02658 (8)
P10.57174 (4)0.22656 (3)0.24509 (2)0.01711 (8)
P20.70323 (4)0.13851 (3)0.17754 (2)0.01786 (8)
O0.87216 (12)0.06175 (11)0.33660 (7)0.0292 (3)
C0.77857 (16)0.02237 (13)0.28976 (9)0.0194 (3)
C10.37617 (17)0.31120 (14)0.23556 (10)0.0225 (3)
H1A0.36490.39540.23730.027*
H1B0.34660.32090.17780.027*
C20.56011 (17)0.17478 (14)0.13539 (10)0.0224 (3)
H2A0.51670.10150.0860.027*
H2B0.60650.24380.11230.027*
C110.60384 (16)0.21959 (14)0.35363 (9)0.0194 (3)
C120.60844 (17)0.11064 (15)0.42446 (10)0.0242 (3)
H120.6060.03720.41520.029*
C130.61665 (19)0.10890 (18)0.50886 (10)0.0328 (4)
H130.62140.0340.55680.039*
C140.6179 (2)0.2148 (2)0.52309 (12)0.0391 (5)
H140.62180.21330.58090.047*
C150.6136 (2)0.3235 (2)0.45359 (13)0.0418 (5)
H150.61430.39680.46370.05*
C160.6081 (2)0.32602 (16)0.36876 (11)0.0304 (4)
H160.60720.40060.3210.036*
C210.66523 (18)0.34265 (14)0.17287 (9)0.0222 (3)
C220.81238 (19)0.32539 (16)0.18412 (11)0.0288 (3)
H220.86080.25450.22890.035*
C230.8890 (2)0.41003 (18)0.13091 (12)0.0359 (4)
H230.98930.39710.13940.043*
C240.8195 (2)0.51350 (17)0.06545 (12)0.0378 (4)
H240.87190.57190.02910.045*
C250.6742 (2)0.53175 (16)0.05308 (11)0.0381 (4)
H250.62660.6030.00820.046*
C260.5967 (2)0.44629 (15)0.10601 (11)0.0308 (4)
H260.4970.45870.09650.037*
C310.27321 (16)0.25011 (14)0.30545 (10)0.0221 (3)
C320.25100 (18)0.26653 (15)0.38690 (10)0.0253 (3)
H320.30590.31240.39950.03*
C330.15035 (19)0.21712 (16)0.44972 (11)0.0311 (4)
H330.13720.22890.50490.037*
C340.0691 (2)0.15072 (16)0.43223 (13)0.0359 (4)
H340.00120.11790.47480.043*
C350.0909 (2)0.13237 (17)0.35247 (14)0.0377 (4)
H350.03570.08620.34040.045*
C360.19286 (19)0.18088 (16)0.28941 (12)0.0307 (4)
H360.20770.16660.2350.037*
C410.76811 (17)0.28063 (13)0.26784 (9)0.0208 (3)
C420.71780 (19)0.28722 (15)0.35317 (10)0.0260 (3)
H420.65060.21740.36420.031*
C430.7654 (2)0.39552 (16)0.42243 (11)0.0331 (4)
H430.73030.39930.48050.04*
C440.8631 (2)0.49728 (16)0.40722 (11)0.0334 (4)
H440.89720.57030.45480.04*
C450.9114 (2)0.49293 (16)0.32263 (12)0.0343 (4)
H450.97680.56380.3120.041*
C460.8644 (2)0.38529 (15)0.25328 (11)0.0296 (4)
H460.89820.38280.19520.036*
C510.85222 (17)0.14534 (14)0.09432 (9)0.0208 (3)
C520.99258 (19)0.15723 (17)0.11534 (11)0.0293 (3)
H521.00750.15870.17160.035*
C531.11052 (19)0.16693 (17)0.05524 (12)0.0336 (4)
H531.20590.17620.07060.04*
C541.0895 (2)0.16318 (18)0.02718 (12)0.0350 (4)
H541.17040.17060.06830.042*
C550.9504 (2)0.14856 (18)0.04934 (11)0.0344 (4)
H550.93580.14470.10630.041*
C560.83128 (19)0.13940 (15)0.01062 (10)0.0265 (3)
H560.73590.12910.00540.032*
C610.43910 (17)0.21030 (14)0.20185 (10)0.0225 (3)
C620.4372 (2)0.33314 (18)0.24161 (14)0.0455 (5)
H620.51560.39590.2290.055*
C630.3224 (3)0.3665 (2)0.29982 (15)0.0522 (6)
H630.32320.45160.32670.063*
C640.2076 (2)0.27723 (19)0.31890 (12)0.0355 (4)
H640.1280.29970.35780.043*
C650.2104 (2)0.15517 (19)0.28051 (14)0.0389 (4)
H650.13280.09260.2940.047*
C660.32460 (19)0.12161 (17)0.22237 (13)0.0330 (4)
H660.3240.03640.19630.04*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Rh0.01860 (6)0.01346 (6)0.01607 (6)0.00240 (4)0.00300 (4)0.00549 (4)
Cl0.0366 (2)0.01903 (17)0.02391 (17)0.00122 (15)0.01559 (15)0.00587 (14)
P10.02051 (18)0.01318 (17)0.01687 (16)0.00273 (14)0.00239 (13)0.00482 (13)
P20.02033 (18)0.01595 (18)0.01810 (16)0.00262 (14)0.00219 (14)0.00774 (14)
O0.0220 (6)0.0337 (6)0.0312 (6)0.0009 (5)0.0076 (5)0.0124 (5)
C0.0206 (7)0.0176 (7)0.0210 (6)0.0042 (6)0.0015 (5)0.0093 (5)
C10.0235 (8)0.0176 (7)0.0227 (7)0.0016 (6)0.0045 (6)0.0064 (6)
C20.0248 (8)0.0218 (7)0.0234 (7)0.0052 (6)0.0033 (6)0.0107 (6)
C110.0188 (7)0.0205 (7)0.0202 (6)0.0029 (6)0.0018 (5)0.0095 (6)
C120.0250 (8)0.0230 (8)0.0216 (7)0.0011 (6)0.0018 (6)0.0078 (6)
C130.0271 (9)0.0435 (10)0.0206 (7)0.0008 (7)0.0034 (6)0.0079 (7)
C140.0314 (9)0.0694 (14)0.0280 (8)0.0178 (9)0.0008 (7)0.0267 (9)
C150.0462 (11)0.0570 (13)0.0442 (10)0.0270 (10)0.0087 (9)0.0363 (10)
C160.0370 (9)0.0290 (9)0.0323 (8)0.0144 (7)0.0053 (7)0.0168 (7)
C210.0312 (8)0.0162 (7)0.0196 (6)0.0069 (6)0.0019 (6)0.0072 (5)
C220.0301 (9)0.0255 (8)0.0295 (8)0.0086 (7)0.0024 (7)0.0083 (7)
C230.0374 (10)0.0384 (10)0.0380 (9)0.0182 (8)0.0096 (8)0.0179 (8)
C240.0560 (12)0.0304 (9)0.0326 (9)0.0252 (9)0.0152 (8)0.0132 (7)
C250.0617 (13)0.0202 (8)0.0263 (8)0.0120 (8)0.0020 (8)0.0014 (6)
C260.0397 (10)0.0220 (8)0.0266 (8)0.0070 (7)0.0033 (7)0.0034 (6)
C310.0189 (7)0.0174 (7)0.0264 (7)0.0019 (6)0.0048 (6)0.0069 (6)
C320.0240 (8)0.0218 (8)0.0287 (8)0.0018 (6)0.0034 (6)0.0093 (6)
C330.0300 (9)0.0255 (9)0.0294 (8)0.0001 (7)0.0007 (7)0.0051 (7)
C340.0258 (9)0.0247 (9)0.0458 (10)0.0038 (7)0.0020 (7)0.0022 (7)
C350.0291 (9)0.0281 (9)0.0578 (12)0.0082 (7)0.0087 (8)0.0131 (8)
C360.0270 (8)0.0297 (9)0.0385 (9)0.0020 (7)0.0076 (7)0.0166 (7)
C410.0244 (8)0.0164 (7)0.0221 (7)0.0036 (6)0.0037 (6)0.0072 (5)
C420.0332 (9)0.0196 (8)0.0247 (7)0.0061 (6)0.0039 (6)0.0096 (6)
C430.0501 (11)0.0263 (9)0.0212 (7)0.0115 (8)0.0022 (7)0.0063 (6)
C440.0433 (10)0.0222 (8)0.0293 (8)0.0053 (7)0.0097 (7)0.0016 (6)
C450.0390 (10)0.0211 (8)0.0348 (9)0.0050 (7)0.0044 (7)0.0088 (7)
C460.0386 (10)0.0213 (8)0.0248 (7)0.0013 (7)0.0018 (7)0.0098 (6)
C510.0240 (7)0.0169 (7)0.0222 (7)0.0041 (6)0.0004 (6)0.0087 (6)
C520.0279 (8)0.0370 (9)0.0271 (8)0.0078 (7)0.0020 (6)0.0156 (7)
C530.0244 (8)0.0387 (10)0.0400 (9)0.0083 (7)0.0019 (7)0.0173 (8)
C540.0334 (9)0.0378 (10)0.0359 (9)0.0122 (8)0.0121 (7)0.0183 (8)
C550.0415 (10)0.0416 (10)0.0236 (8)0.0139 (8)0.0040 (7)0.0148 (7)
C560.0290 (8)0.0286 (8)0.0232 (7)0.0086 (7)0.0017 (6)0.0092 (6)
C610.0234 (8)0.0231 (8)0.0238 (7)0.0059 (6)0.0043 (6)0.0099 (6)
C620.0493 (12)0.0257 (10)0.0557 (12)0.0098 (9)0.0189 (10)0.0156 (9)
C630.0614 (14)0.0311 (11)0.0593 (13)0.0218 (10)0.0202 (11)0.0114 (10)
C640.0320 (9)0.0492 (11)0.0311 (8)0.0182 (8)0.0040 (7)0.0161 (8)
C650.0232 (9)0.0432 (11)0.0536 (11)0.0055 (8)0.0032 (8)0.0248 (9)
C660.0248 (8)0.0255 (9)0.0490 (10)0.0046 (7)0.0018 (7)0.0144 (8)
Geometric parameters (Å, º) top
Rh—C1.8007 (15)C32—H320.95
Rh—P12.3204 (5)C33—C341.382 (3)
Rh—P22.3364 (5)C33—H330.95
Rh—Cl2.3686 (4)C34—C351.379 (3)
P1—C111.8252 (14)C34—H340.95
P1—C211.8256 (16)C35—C361.392 (3)
P1—C11.8499 (15)C35—H350.95
P2—C511.8182 (16)C36—H360.95
P2—C411.8245 (15)C41—C421.390 (2)
P2—C21.8443 (15)C41—C461.394 (2)
O—C1.1513 (18)C42—C431.391 (2)
C1—C311.510 (2)C42—H420.95
C1—H1A0.99C43—C441.377 (3)
C1—H1B0.99C43—H430.95
C2—C611.505 (2)C44—C451.381 (3)
C2—H2A0.99C44—H440.95
C2—H2B0.99C45—C461.386 (2)
C11—C121.393 (2)C45—H450.95
C11—C161.393 (2)C46—H460.95
C12—C131.393 (2)C51—C521.393 (2)
C12—H120.95C51—C561.394 (2)
C13—C141.370 (3)C52—C531.384 (2)
C13—H130.95C52—H520.95
C14—C151.381 (3)C53—C541.383 (3)
C14—H140.95C53—H530.95
C15—C161.392 (2)C54—C551.380 (3)
C15—H150.95C54—H540.95
C16—H160.95C55—C561.390 (2)
C21—C261.394 (2)C55—H550.95
C21—C221.394 (2)C56—H560.95
C22—C231.384 (2)C61—C661.379 (2)
C22—H220.95C61—C621.379 (2)
C23—C241.384 (3)C62—C631.389 (3)
C23—H230.95C62—H620.95
C24—C251.379 (3)C63—C641.375 (3)
C24—H240.95C63—H630.95
C25—C261.395 (2)C64—C651.371 (3)
C25—H250.95C64—H640.95
C26—H260.95C65—C661.384 (3)
C31—C361.391 (2)C65—H650.95
C31—C321.396 (2)C66—H660.95
C32—C331.385 (2)
C—Rh—P190.85 (5)C33—C32—C31121.19 (16)
C—Rh—P289.91 (5)C33—C32—H32119.4
P1—Rh—P2179.004 (14)C31—C32—H32119.4
C—Rh—Cl172.05 (5)C34—C33—C32120.07 (17)
P1—Rh—Cl88.807 (15)C34—C33—H33120
P2—Rh—Cl90.529 (15)C32—C33—H33120
C11—P1—C21102.71 (7)C35—C34—C33119.50 (17)
C11—P1—C1101.62 (7)C35—C34—H34120.3
C21—P1—C1103.01 (7)C33—C34—H34120.3
C11—P1—Rh118.80 (5)C34—C35—C36120.65 (17)
C21—P1—Rh112.66 (5)C34—C35—H35119.7
C1—P1—Rh115.96 (5)C36—C35—H35119.7
C51—P2—C41102.76 (7)C31—C36—C35120.46 (17)
C51—P2—C2102.80 (7)C31—C36—H36119.8
C41—P2—C2102.67 (7)C35—C36—H36119.8
C51—P2—Rh113.98 (5)C42—C41—C46118.65 (14)
C41—P2—Rh115.37 (5)C42—C41—P2119.87 (12)
C2—P2—Rh117.34 (5)C46—C41—P2121.45 (11)
O—C—Rh176.44 (14)C41—C42—C43120.35 (15)
C31—C1—P1114.94 (10)C41—C42—H42119.8
C31—C1—H1A108.5C43—C42—H42119.8
P1—C1—H1A108.5C44—C43—C42120.34 (15)
C31—C1—H1B108.5C44—C43—H43119.8
P1—C1—H1B108.5C42—C43—H43119.8
H1A—C1—H1B107.5C43—C44—C45119.89 (15)
C61—C2—P2114.56 (10)C43—C44—H44120.1
C61—C2—H2A108.6C45—C44—H44120.1
P2—C2—H2A108.6C44—C45—C46120.06 (16)
C61—C2—H2B108.6C44—C45—H45120
P2—C2—H2B108.6C46—C45—H45120
H2A—C2—H2B107.6C45—C46—C41120.67 (15)
C12—C11—C16118.86 (14)C45—C46—H46119.7
C12—C11—P1120.14 (11)C41—C46—H46119.7
C16—C11—P1120.63 (12)C52—C51—C56118.94 (15)
C11—C12—C13120.28 (16)C52—C51—P2118.53 (11)
C11—C12—H12119.9C56—C51—P2122.52 (12)
C13—C12—H12119.9C53—C52—C51120.76 (15)
C14—C13—C12120.31 (17)C53—C52—H52119.6
C14—C13—H13119.8C51—C52—H52119.6
C12—C13—H13119.8C54—C53—C52120.01 (17)
C13—C14—C15120.14 (16)C54—C53—H53120
C13—C14—H14119.9C52—C53—H53120
C15—C14—H14119.9C55—C54—C53119.69 (16)
C14—C15—C16120.15 (17)C55—C54—H54120.2
C14—C15—H15119.9C53—C54—H54120.2
C16—C15—H15119.9C54—C55—C56120.80 (16)
C15—C16—C11120.23 (17)C54—C55—H55119.6
C15—C16—H16119.9C56—C55—H55119.6
C11—C16—H16119.9C55—C56—C51119.77 (16)
C26—C21—C22118.68 (15)C55—C56—H56120.1
C26—C21—P1122.86 (13)C51—C56—H56120.1
C22—C21—P1118.44 (12)C66—C61—C62118.07 (16)
C23—C22—C21120.95 (16)C66—C61—C2121.35 (15)
C23—C22—H22119.5C62—C61—C2120.53 (15)
C21—C22—H22119.5C61—C62—C63120.97 (19)
C24—C23—C22119.96 (18)C61—C62—H62119.5
C24—C23—H23120C63—C62—H62119.5
C22—C23—H23120C64—C63—C62120.55 (19)
C25—C24—C23119.89 (17)C64—C63—H63119.7
C25—C24—H24120.1C62—C63—H63119.7
C23—C24—H24120.1C65—C64—C63118.55 (18)
C24—C25—C26120.43 (17)C65—C64—H64120.7
C24—C25—H25119.8C63—C64—H64120.7
C26—C25—H25119.8C64—C65—C66121.04 (18)
C21—C26—C25120.07 (17)C64—C65—H65119.5
C21—C26—H26120C66—C65—H65119.5
C25—C26—H26120C61—C66—C65120.80 (17)
C36—C31—C32118.11 (15)C61—C66—H66119.6
C36—C31—C1121.18 (14)C65—C66—H66119.6
C32—C31—C1120.65 (14)
C—Rh—P1—C1126.75 (7)C22—C21—C26—C251.4 (2)
P2—Rh—P1—C11113.0 (8)P1—C21—C26—C25179.94 (13)
Cl—Rh—P1—C11161.19 (6)C24—C25—C26—C211.1 (3)
C—Rh—P1—C2193.36 (7)P1—C1—C31—C36100.17 (15)
P2—Rh—P1—C21126.9 (8)P1—C1—C31—C3282.85 (16)
Cl—Rh—P1—C2178.70 (6)C36—C31—C32—C331.0 (2)
C—Rh—P1—C1148.30 (7)C1—C31—C32—C33176.10 (14)
P2—Rh—P1—C18.5 (8)C31—C32—C33—C340.3 (2)
Cl—Rh—P1—C139.64 (6)C32—C33—C34—C351.1 (3)
C—Rh—P2—C5186.23 (7)C33—C34—C35—C360.5 (3)
P1—Rh—P2—C51134.0 (8)C32—C31—C36—C351.5 (2)
Cl—Rh—P2—C5185.84 (5)C1—C31—C36—C35175.51 (15)
C—Rh—P2—C4132.35 (7)C34—C35—C36—C310.8 (3)
P1—Rh—P2—C41107.4 (8)C51—P2—C41—C42154.11 (13)
Cl—Rh—P2—C41155.58 (6)C2—P2—C41—C4299.41 (14)
C—Rh—P2—C2153.58 (7)Rh—P2—C41—C4229.47 (15)
P1—Rh—P2—C213.8 (8)C51—P2—C41—C4627.90 (15)
Cl—Rh—P2—C234.36 (6)C2—P2—C41—C4678.58 (15)
P1—Rh—C—O81 (2)Rh—P2—C41—C46152.54 (12)
P2—Rh—C—O100 (2)C46—C41—C42—C431.3 (2)
Cl—Rh—C—O7 (2)P2—C41—C42—C43179.34 (14)
C11—P1—C1—C3158.63 (13)C41—C42—C43—C440.1 (3)
C21—P1—C1—C31164.78 (11)C42—C43—C44—C451.6 (3)
Rh—P1—C1—C3171.70 (12)C43—C44—C45—C461.6 (3)
C51—P2—C2—C61163.96 (11)C44—C45—C46—C410.1 (3)
C41—P2—C2—C6157.51 (13)C42—C41—C46—C451.3 (3)
Rh—P2—C2—C6170.13 (12)P2—C41—C46—C45179.32 (14)
C21—P1—C11—C12151.89 (13)C41—P2—C51—C5255.77 (14)
C1—P1—C11—C12101.73 (13)C2—P2—C51—C52162.15 (13)
Rh—P1—C11—C1226.81 (14)Rh—P2—C51—C5269.78 (13)
C21—P1—C11—C1635.15 (15)C41—P2—C51—C56124.09 (13)
C1—P1—C11—C1671.23 (14)C2—P2—C51—C5617.71 (15)
Rh—P1—C11—C16160.23 (11)Rh—P2—C51—C56110.35 (13)
C16—C11—C12—C130.2 (2)C56—C51—C52—C532.0 (3)
P1—C11—C12—C13172.87 (12)P2—C51—C52—C53177.87 (14)
C11—C12—C13—C141.0 (3)C51—C52—C53—C540.9 (3)
C12—C13—C14—C151.1 (3)C52—C53—C54—C550.6 (3)
C13—C14—C15—C160.1 (3)C53—C54—C55—C561.0 (3)
C14—C15—C16—C111.3 (3)C54—C55—C56—C510.2 (3)
C12—C11—C16—C151.4 (3)C52—C51—C56—C551.6 (2)
P1—C11—C16—C15171.66 (14)P2—C51—C56—C55178.23 (13)
C11—P1—C21—C26126.55 (14)P2—C2—C61—C6681.33 (17)
C1—P1—C21—C2621.23 (15)P2—C2—C61—C62101.12 (18)
Rh—P1—C21—C26104.45 (13)C66—C61—C62—C630.8 (3)
C11—P1—C21—C2254.77 (14)C2—C61—C62—C63176.9 (2)
C1—P1—C21—C22160.08 (13)C61—C62—C63—C640.2 (4)
Rh—P1—C21—C2274.24 (13)C62—C63—C64—C651.2 (3)
C26—C21—C22—C230.9 (2)C63—C64—C65—C661.3 (3)
P1—C21—C22—C23179.61 (13)C62—C61—C66—C650.7 (3)
C21—C22—C23—C240.0 (3)C2—C61—C66—C65176.91 (16)
C22—C23—C24—C250.3 (3)C64—C65—C66—C610.3 (3)
C23—C24—C25—C260.2 (3)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C1—H1B···Cl0.992.823.4350 (16)121
C56—H56···Cli0.952.83.7042 (17)159
C65—H65···Oii0.952.443.203 (2)138
Symmetry codes: (i) x+1, y, z; (ii) x1, y, z.
Comparative geometrical data (Å, °) for compounds of the general formula trans-[Rh(CO)Cl{PR3}2]. top
PR3Rh—P (Å)ΘE (°)Reference
PPh2CH2Pha2.3204 (5)160TW
2.3365 (5)156
PPh2o-tola2.328169i
2.327163
PPh2OMes2.310183ii
2.320244
PPh2CH2NPh2a2.333183iii
2.324175
PPh2CH=CH2b2.323151iv
PBz32.316 (2)170v
2.315 (2)172
Notes: TW: this work; a: non-disordered; b: disordered; o-tol: ortho-tolyl; Mes: mesityl. References: (i) Suomalainen et al. (2001); (ii) Chahen et al. (2005); (iii) Balch et al. (1990); (iv) Kessler et al. (1993); (v) Muller et al. (2002).
 

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