Download citation
Download citation
link to html
The title compound, [Rh2(C28H40O3P)2(C2H3N)2(CO)2]·∼1.5CH2Cl2, contains a dimeric rhodacyclic complex, having inversion symmetry. The Rh atoms are joined by bridging phosphites and additionally each is coordinated by a CO and an aceto­nitrile. Half of the tert-butyl groups are rotationally disordered, but weak C—H...O interactions prevent this from occurring in the other two groups.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804013406/hb6056sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804013406/hb6056Isup2.hkl
Contains datablock I

CCDC reference: 245136

Key indicators

  • Single-crystal X-ray study
  • T = 150 K
  • Mean [sigma](C-C) = 0.006 Å
  • R factor = 0.043
  • wR factor = 0.098
  • Data-to-parameter ratio = 17.9

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT601_ALERT_2_A Structure Contains Solvent Accessible VOIDS of . 377.00 A   3
Author Response: See experimental section

Alert level B PLAT201_ALERT_2_B Isotropic non-H Atoms in Main Residue(s) ....... 6
Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.69 Ratio PLAT301_ALERT_3_C Main Residue Disorder ......................... 14.00 Perc.
1 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 2 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 3 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 0 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: Collect (Nonius, 1998); cell refinement: DIRAX (Duisenberg, 1992); data reduction: HKL-2000 (Otwinowski & Minor, 1997); program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON (Spek, 2003); software used to prepare material for publication: PLATON.

{(carbonyl)(acetonitrilo)(µ2-O)(P)(dibenzo-[d,f]-2,2,4,4-tetra-tert-butyl- [1,3,2]dioxa-phosphito)}-rhodium(I)-dimer ~1.5 dichloromethane solvate top
Crystal data top
[C62H86N2O8P2Rh2]1.5CH2Cl2F(000) = 2624
Mr = 1255.09Dx = 1.199 Mg m3
Monoclinic, C2/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2ycCell parameters from 7134 reflections
a = 29.2584 (4) Åθ = 1.0–26.0°
b = 12.4252 (2) ŵ = 0.57 mm1
c = 21.7240 (3) ÅT = 150 K
β = 118.3548 (5)°Needle, yellow
V = 6950.05 (18) Å30.39 × 0.15 × 0.09 mm
Z = 4
Data collection top
Nonius KappaCCD
diffractometer
6085 independent reflections
Radiation source: Rotating Anode4468 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.053
Detector resolution: 18.4 pixels mm-1θmax = 25.0°, θmin = 1.6°
φ and ω scansh = 3434
Absorption correction: multi-scan
(SADABS; Sheldrick, 1990)
k = 1414
Tmin = 0.750, Tmax = 0.950l = 2525
28137 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)] = 0.043Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.098H-atom parameters constrained
S = 1.05 w = 1/[σ2(Fo2) + (0.0431P)2 + 7.5648P]
where P = (Fo2 + 2Fc2)/3
6085 reflections(Δ/σ)max = 0.004
340 parametersΔρmax = 0.68 e Å3
72 restraintsΔρmin = 0.49 e Å3
Special details top

Geometry. Bond distances, angles etc. have been calculated using the rounded fractional coordinates. All su's are estimated from the variances of the (full) variance-covariance matrix. The cell e.s.d.'s are taken into account in the estimation of distances, angles and torsion angles

Refinement. Refinement on F2 for ALL reflections except those flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The observed criterion of F2 > σ(F2) is used only for calculating -R-factor-obs etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Rh10.06582 (1)0.51980 (2)0.10396 (1)0.0245 (1)
P10.06371 (3)0.51557 (8)0.00106 (5)0.0239 (3)
O10.01229 (8)0.5151 (2)0.06492 (12)0.0307 (8)
O20.17690 (11)0.5792 (3)0.16739 (15)0.0560 (11)
O30.09280 (8)0.41436 (18)0.01457 (11)0.0252 (8)
O40.09740 (8)0.61748 (18)0.00192 (12)0.0261 (8)
N10.06688 (10)0.5281 (2)0.20205 (15)0.0267 (10)
C10.13352 (15)0.5541 (3)0.1417 (2)0.0354 (14)
C20.06809 (13)0.5423 (3)0.2540 (2)0.0289 (11)
C30.06957 (15)0.5616 (4)0.3214 (2)0.0424 (14)
C40.14565 (12)0.3957 (3)0.03120 (17)0.0242 (11)
C50.18136 (13)0.4680 (3)0.02949 (18)0.0268 (11)
C60.23421 (13)0.4507 (3)0.07499 (19)0.0282 (11)
C70.25157 (13)0.3641 (3)0.12039 (19)0.0305 (12)
C80.21435 (13)0.2905 (3)0.1171 (2)0.0319 (12)
C90.16100 (13)0.3015 (3)0.07208 (19)0.0273 (12)
C100.12480 (12)0.6265 (3)0.03951 (17)0.0252 (11)
C110.16614 (12)0.5562 (3)0.02352 (18)0.0252 (11)
C120.19559 (13)0.5697 (3)0.05784 (19)0.0275 (11)
C130.18562 (13)0.6510 (3)0.10648 (19)0.0304 (12)
C140.14482 (14)0.7210 (3)0.11920 (19)0.0316 (12)
C150.11371 (13)0.7123 (3)0.08699 (19)0.0288 (11)
C160.12314 (14)0.2095 (3)0.0632 (2)0.0347 (14)
C170.15116 (16)0.1150 (3)0.1130 (2)0.0538 (18)
C180.07875 (15)0.2439 (3)0.0772 (2)0.0463 (16)
C190.10086 (17)0.1669 (4)0.0117 (2)0.0535 (17)
C200.30991 (15)0.3472 (3)0.1708 (2)0.0423 (11)
C21A0.3211 (3)0.2540 (6)0.2182 (4)0.054 (2)*0.641 (5)
C22A0.3327 (3)0.4492 (6)0.2141 (4)0.056 (2)*0.641 (5)
C23A0.3369 (3)0.3342 (6)0.1242 (4)0.063 (2)*0.641 (5)
C240.06911 (15)0.7942 (3)0.1036 (2)0.0374 (14)
C250.07432 (18)0.8453 (3)0.0361 (2)0.0559 (17)
C260.01628 (15)0.7392 (4)0.1443 (2)0.0520 (16)
C270.07082 (17)0.8874 (4)0.1498 (3)0.0591 (19)
C280.21934 (15)0.6628 (3)0.1430 (2)0.0363 (11)
C29A0.2141 (3)0.5597 (5)0.1850 (3)0.0502 (16)*0.740 (6)
C30A0.2779 (2)0.6725 (5)0.0860 (3)0.0503 (17)*0.740 (6)
C31A0.2075 (3)0.7612 (6)0.1885 (4)0.0630 (19)*0.740 (6)
C29B0.2477 (8)0.5642 (14)0.1417 (11)0.059 (4)*0.260 (6)
C30B0.2540 (7)0.7526 (15)0.1124 (10)0.060 (4)*0.260 (6)
C31B0.1832 (6)0.7034 (13)0.2235 (8)0.040 (4)*0.260 (6)
C22B0.3437 (4)0.4282 (9)0.1645 (6)0.039 (3)*0.359 (5)
C23B0.3270 (5)0.2356 (11)0.1680 (8)0.063 (3)*0.359 (5)
C21B0.3158 (5)0.3582 (11)0.2501 (7)0.065 (3)*0.359 (5)
H60.258900.500000.074600.0340*
H80.225900.229600.147100.0390*
H17B0.179000.088500.104200.0810*
H17C0.126300.056900.104900.0810*
H18A0.093100.271200.125100.0690*
H18B0.056400.181800.071400.0690*
H120.223500.521600.047600.0330*
H140.137900.777900.151700.0380*
H17A0.165900.139600.161600.0810*
H3A0.105800.567700.358100.0640*
H3B0.052900.501500.332200.0640*
H3C0.051100.628500.319100.0640*
H21C0.358800.245400.246500.0820*0.641 (5)
H22A0.325100.511100.182800.0830*0.641 (5)
H22B0.370400.441100.242500.0830*0.641 (5)
H22C0.317200.460800.244900.0830*0.641 (5)
H23A0.330000.398000.094500.0950*0.641 (5)
H23B0.323200.270200.094700.0950*0.641 (5)
H23C0.374400.326400.154100.0950*0.641 (5)
H25A0.108300.880100.010700.0840*
H25B0.071100.789300.006600.0840*
H25C0.046900.899000.047900.0840*
H26A0.011400.791500.153900.0780*
H26B0.013700.679800.116400.0780*
H26C0.012700.711200.188500.0780*
H27A0.104300.924500.125400.0880*
H27B0.042700.938400.159000.0880*
H27C0.066500.858400.194200.0880*
H29A0.222500.497100.154000.0750*0.740 (6)
H29B0.238000.563000.204700.0750*0.740 (6)
H29C0.178300.553300.222900.0750*0.740 (6)
H30A0.287700.609500.055200.0750*0.740 (6)
H30B0.282700.737900.058300.0750*0.740 (6)
H30C0.299700.676300.108900.0750*0.740 (6)
H31A0.230600.763300.209500.0940*0.740 (6)
H31B0.212800.825900.160100.0940*0.740 (6)
H31C0.171300.758400.225600.0940*0.740 (6)
H18C0.058400.300500.044200.0690*
H19A0.076500.108200.018700.0800*
H19B0.129200.140200.019500.0800*
H19C0.082600.225100.044800.0800*
H21A0.306300.188800.190500.0820*0.641 (5)
H21B0.305700.266100.249000.0820*0.641 (5)
H21D0.292900.305900.255600.0970*0.359 (5)
H21E0.306100.431100.256700.0970*0.359 (5)
H21F0.351900.344000.285100.0970*0.359 (5)
H22D0.379900.413100.198700.0590*0.359 (5)
H22E0.334100.499700.173500.0590*0.359 (5)
H22F0.339900.426000.117200.0590*0.359 (5)
H23D0.303800.184400.173600.0940*0.359 (5)
H23E0.362600.225200.205700.0940*0.359 (5)
H23F0.326000.223600.122800.0940*0.359 (5)
H29D0.268600.577600.165200.0880*0.260 (6)
H29E0.222900.506200.165800.0880*0.260 (6)
H29F0.270600.543100.093000.0880*0.260 (6)
H30D0.276100.760400.134800.0900*0.260 (6)
H30E0.275900.740000.062200.0900*0.260 (6)
H30F0.233700.818500.119500.0900*0.260 (6)
H31D0.204600.711100.246800.0610*0.260 (6)
H31E0.167500.773000.223300.0610*0.260 (6)
H31F0.155700.650500.248800.0610*0.260 (6)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Rh10.0221 (2)0.0298 (2)0.0211 (2)0.0003 (1)0.0100 (1)0.0000 (1)
P10.0193 (4)0.0312 (5)0.0214 (5)0.0000 (4)0.0099 (4)0.0000 (4)
O10.0222 (12)0.0488 (16)0.0210 (13)0.0011 (12)0.0101 (10)0.0038 (12)
O20.0361 (17)0.090 (2)0.0409 (18)0.0255 (17)0.0176 (15)0.0183 (17)
O30.0209 (12)0.0296 (14)0.0238 (14)0.0001 (10)0.0096 (11)0.0018 (10)
O40.0268 (13)0.0269 (14)0.0310 (14)0.0014 (11)0.0189 (11)0.0007 (11)
N10.0223 (15)0.0338 (18)0.0203 (17)0.0016 (14)0.0071 (13)0.0029 (14)
C10.035 (2)0.046 (3)0.028 (2)0.0083 (19)0.0172 (19)0.0086 (18)
C20.0208 (18)0.034 (2)0.026 (2)0.0011 (16)0.0062 (17)0.0005 (17)
C30.043 (2)0.060 (3)0.030 (2)0.004 (2)0.022 (2)0.002 (2)
C40.0208 (18)0.028 (2)0.024 (2)0.0033 (16)0.0108 (16)0.0026 (16)
C50.0270 (18)0.028 (2)0.029 (2)0.0011 (17)0.0163 (16)0.0022 (16)
C60.0247 (19)0.030 (2)0.035 (2)0.0019 (16)0.0184 (17)0.0019 (17)
C70.028 (2)0.031 (2)0.035 (2)0.0055 (17)0.0171 (18)0.0041 (17)
C80.032 (2)0.026 (2)0.040 (2)0.0090 (17)0.0189 (19)0.0095 (17)
C90.028 (2)0.027 (2)0.033 (2)0.0020 (16)0.0194 (18)0.0001 (16)
C100.0227 (18)0.029 (2)0.023 (2)0.0028 (16)0.0102 (16)0.0023 (16)
C110.0221 (18)0.024 (2)0.028 (2)0.0026 (15)0.0107 (16)0.0011 (15)
C120.0247 (18)0.024 (2)0.036 (2)0.0003 (16)0.0161 (17)0.0024 (17)
C130.031 (2)0.026 (2)0.033 (2)0.0012 (17)0.0143 (18)0.0006 (17)
C140.037 (2)0.029 (2)0.030 (2)0.0018 (18)0.0168 (18)0.0062 (17)
C150.0268 (19)0.027 (2)0.030 (2)0.0007 (16)0.0115 (17)0.0011 (16)
C160.037 (2)0.025 (2)0.046 (3)0.0038 (17)0.023 (2)0.0011 (18)
C170.049 (3)0.033 (2)0.077 (4)0.003 (2)0.028 (3)0.012 (2)
C180.045 (2)0.037 (3)0.069 (3)0.009 (2)0.037 (2)0.002 (2)
C190.056 (3)0.041 (3)0.066 (3)0.013 (2)0.031 (3)0.016 (2)
C200.0335 (19)0.040 (2)0.054 (2)0.0069 (17)0.0214 (18)0.0137 (18)
C240.040 (2)0.032 (2)0.044 (3)0.0073 (18)0.023 (2)0.0103 (18)
C250.068 (3)0.040 (3)0.066 (3)0.022 (2)0.037 (3)0.001 (2)
C260.036 (2)0.058 (3)0.058 (3)0.011 (2)0.019 (2)0.016 (2)
C270.054 (3)0.043 (3)0.089 (4)0.021 (2)0.041 (3)0.033 (3)
C280.0386 (19)0.036 (2)0.043 (2)0.0005 (17)0.0266 (17)0.0024 (17)
Geometric parameters (Å, º) top
Rh1—P12.2074 (10)C17—H17A0.9806
Rh1—N12.119 (3)C17—H17B0.9779
Rh1—C11.799 (5)C17—H17C0.9796
Rh1—O1i2.071 (3)C18—H18A0.9794
P1—O11.507 (3)C18—H18B0.9801
P1—O31.642 (3)C18—H18C0.9786
P1—O41.625 (3)C19—H19A0.9799
O2—C11.161 (6)C19—H19B0.9797
O3—C41.405 (4)C19—H19C0.9801
O4—C101.394 (5)C21A—H21A0.9790
N1—C21.126 (5)C21A—H21B0.9796
C2—C31.464 (6)C21A—H21C0.9808
C4—C51.392 (6)C21B—H21E0.9799
C4—C91.408 (5)C21B—H21F0.9808
C5—C61.401 (6)C21B—H21D0.9806
C5—C111.496 (5)C22A—H22A0.9797
C6—C71.383 (5)C22A—H22B0.9803
C7—C81.398 (6)C22A—H22C0.9810
C7—C201.543 (6)C22B—H22D0.9806
C8—C91.401 (6)C22B—H22F0.9800
C9—C161.539 (6)C22B—H22E0.9791
C10—C111.396 (5)C23A—H23B0.9797
C10—C151.410 (5)C23A—H23A0.9807
C11—C121.392 (6)C23A—H23C0.9789
C12—C131.389 (5)C23B—H23D0.9791
C13—C141.395 (6)C23B—H23E0.9809
C13—C281.539 (6)C23B—H23F0.9798
C14—C151.391 (6)C25—H25C0.9794
C15—C241.556 (6)C25—H25A0.9792
C16—C171.542 (5)C25—H25B0.9803
C16—C181.529 (7)C26—H26B0.9804
C16—C191.531 (6)C26—H26C0.9790
C20—C21A1.479 (8)C26—H26A0.9804
C20—C22A1.530 (8)C27—H27A0.9797
C20—C23A1.560 (10)C27—H27C0.9800
C20—C21B1.654 (14)C27—H27B0.9809
C20—C22B1.462 (13)C29A—H29A0.9807
C20—C23B1.485 (15)C29A—H29C0.9809
C24—C251.538 (6)C29A—H29B0.9788
C24—C261.530 (6)C29B—H29E0.9793
C24—C271.549 (7)C29B—H29F0.9816
C28—C29A1.538 (7)C29B—H29D0.9792
C28—C30A1.571 (8)C30A—H30A0.9800
C28—C31A1.506 (8)C30A—H30C0.9787
C28—C29B1.47 (2)C30A—H30B0.9808
C28—C30B1.44 (2)C30B—H30E0.9801
C28—C31B1.635 (16)C30B—H30F0.9798
C3—H3A0.9810C30B—H30D0.9814
C3—H3B0.9794C31A—H31A0.9790
C3—H3C0.9797C31A—H31B0.9798
C6—H60.9502C31A—H31C0.9807
C8—H80.9499C31B—H31D0.9790
C12—H120.9492C31B—H31E0.9802
C14—H140.9505C31B—H31F0.9805
P1—Rh1—N1178.42 (8)C16—C18—H18A109.40
P1—Rh1—C187.84 (13)C16—C18—H18B109.41
P1—Rh1—O1i94.91 (7)C16—C18—H18C109.51
N1—Rh1—C192.47 (15)H18A—C18—H18B109.42
O1i—Rh1—N184.74 (11)H18A—C18—H18C109.52
O1i—Rh1—C1176.86 (15)H18B—C18—H18C109.57
Rh1—P1—O1119.91 (11)C16—C19—H19A109.47
Rh1—P1—O3117.37 (9)C16—C19—H19B109.43
Rh1—P1—O4107.22 (10)C16—C19—H19C109.46
O1—P1—O3100.47 (13)H19A—C19—H19B109.52
O1—P1—O4108.41 (14)H19A—C19—H19C109.42
O3—P1—O4101.82 (13)H19B—C19—H19C109.52
Rh1i—O1—P1143.09 (16)C20—C21A—H21A109.44
P1—O3—C4119.0 (2)C20—C21A—H21B109.50
P1—O4—C10127.9 (2)C20—C21A—H21C109.44
Rh1—N1—C2173.7 (3)H21A—C21A—H21B109.52
Rh1—C1—O2177.5 (4)H21A—C21A—H21C109.43
N1—C2—C3179.6 (4)H21B—C21A—H21C109.50
O3—C4—C5117.6 (3)H21E—C21B—H21F109.45
O3—C4—C9119.9 (3)C20—C21B—H21F109.50
C5—C4—C9122.3 (4)C20—C21B—H21D109.45
C4—C5—C6118.2 (3)C20—C21B—H21E109.56
C4—C5—C11122.7 (3)H21D—C21B—H21E109.43
C6—C5—C11118.7 (4)H21D—C21B—H21F109.44
C5—C6—C7122.1 (4)C20—C22A—H22B109.48
C6—C7—C8117.3 (4)C20—C22A—H22A109.55
C6—C7—C20121.3 (4)H22A—C22A—H22B109.52
C8—C7—C20121.3 (3)H22A—C22A—H22C109.39
C7—C8—C9123.7 (3)C20—C22A—H22C109.48
C4—C9—C8116.0 (4)H22B—C22A—H22C109.41
C4—C9—C16122.9 (3)C20—C22B—H22D109.42
C8—C9—C16120.8 (3)C20—C22B—H22E109.58
O4—C10—C11118.4 (3)C20—C22B—H22F109.51
O4—C10—C15119.5 (3)H22D—C22B—H22E109.35
C11—C10—C15121.8 (4)H22D—C22B—H22F109.45
C5—C11—C10123.8 (3)H22E—C22B—H22F109.53
C5—C11—C12117.8 (3)C20—C23A—H23B109.43
C10—C11—C12118.4 (3)C20—C23A—H23C109.45
C11—C12—C13122.4 (4)C20—C23A—H23A109.50
C12—C13—C14117.1 (4)H23A—C23A—H23B109.47
C12—C13—C28120.5 (4)H23A—C23A—H23C109.40
C14—C13—C28122.5 (3)H23B—C23A—H23C109.58
C13—C14—C15123.7 (3)C20—C23B—H23D109.56
C10—C15—C14116.7 (4)C20—C23B—H23E109.48
C10—C15—C24122.7 (4)C20—C23B—H23F109.44
C14—C15—C24120.6 (3)H23E—C23B—H23F109.34
C9—C16—C17111.5 (3)H23D—C23B—H23E109.55
C9—C16—C18113.4 (3)H23D—C23B—H23F109.46
C9—C16—C19107.9 (3)C24—C25—H25B109.48
C17—C16—C18107.0 (3)H25A—C25—H25C109.45
C17—C16—C19107.4 (3)C24—C25—H25C109.50
C18—C16—C19109.6 (4)H25A—C25—H25B109.40
C7—C20—C21A113.9 (5)C24—C25—H25A109.51
C7—C20—C22A109.6 (4)H25B—C25—H25C109.48
C7—C20—C23A106.5 (4)C24—C26—H26C109.49
C7—C20—C21B105.1 (6)H26A—C26—H26B109.40
C7—C20—C22B114.2 (5)C24—C26—H26B109.41
C7—C20—C23B112.2 (7)H26B—C26—H26C109.57
C21A—C20—C22A109.4 (5)H26A—C26—H26C109.52
C21A—C20—C23A111.0 (5)C24—C26—H26A109.43
C22A—C20—C23A106.1 (5)C24—C27—H27A109.45
C21B—C20—C22B107.5 (7)H27A—C27—H27B109.43
C21B—C20—C23B104.4 (8)H27A—C27—H27C109.51
C22B—C20—C23B112.5 (8)H27B—C27—H27C109.47
C15—C24—C25110.9 (3)C24—C27—H27C109.52
C15—C24—C26110.4 (3)C24—C27—H27B109.45
C15—C24—C27111.0 (4)C28—C29A—H29B109.51
C25—C24—C26110.6 (4)C28—C29A—H29A109.36
C25—C24—C27106.9 (3)H29B—C29A—H29C109.65
C26—C24—C27107.1 (4)H29A—C29A—H29C109.36
C13—C28—C29A108.6 (4)C28—C29A—H29C109.35
C13—C28—C30A109.1 (4)H29A—C29A—H29B109.60
C13—C28—C31A114.3 (5)C28—C29B—H29F109.44
C13—C28—C29B113.9 (9)H29E—C29B—H29F109.44
C13—C28—C30B108.6 (9)H29D—C29B—H29E109.51
C13—C28—C31B109.5 (7)H29D—C29B—H29F109.37
C29A—C28—C30A107.2 (5)C28—C29B—H29E109.53
C29A—C28—C31A111.1 (4)C28—C29B—H29D109.53
C30A—C28—C31A106.3 (5)C28—C30A—H30A109.44
C29B—C28—C30B111.6 (13)C28—C30A—H30B109.39
C29B—C28—C31B110.5 (10)C28—C30A—H30C109.46
C30B—C28—C31B102.2 (10)H30B—C30A—H30C109.51
C2—C3—H3A109.44H30A—C30A—H30C109.61
C2—C3—H3B109.46H30A—C30A—H30B109.43
C2—C3—H3C109.54C28—C30B—H30F109.48
H3A—C3—H3B109.45H30D—C30B—H30E109.33
H3A—C3—H3C109.44H30E—C30B—H30F109.62
H3B—C3—H3C109.50C28—C30B—H30D109.44
C5—C6—H6118.94H30D—C30B—H30F109.41
C7—C6—H6118.99C28—C30B—H30E109.55
C7—C8—H8118.13H31B—C31A—H31C109.44
C9—C8—H8118.18C28—C31A—H31A109.46
C11—C12—H12118.76C28—C31A—H31B109.55
C13—C12—H12118.86C28—C31A—H31C109.43
C13—C14—H14118.13H31A—C31A—H31B109.49
C15—C14—H14118.17H31A—C31A—H31C109.46
C16—C17—H17A109.47C28—C31B—H31D109.61
C16—C17—H17B109.50C28—C31B—H31E109.50
C16—C17—H17C109.45C28—C31B—H31F109.53
H17A—C17—H17B109.52H31D—C31B—H31E109.40
H17A—C17—H17C109.42H31D—C31B—H31F109.37
H17B—C17—H17C109.46H31E—C31B—H31F109.41
C1—Rh1—P1—O1165.70 (17)C6—C7—C20—C23A60.6 (5)
C1—Rh1—P1—O372.03 (16)C8—C7—C20—C21A5.5 (6)
C1—Rh1—P1—O441.67 (16)C8—C7—C20—C22A128.5 (5)
O1i—Rh1—P1—O112.78 (14)C8—C7—C20—C23A117.2 (5)
O1i—Rh1—P1—O3109.49 (13)C7—C8—C9—C43.0 (6)
O1i—Rh1—P1—O4136.81 (12)C7—C8—C9—C16170.8 (4)
P1—Rh1—O1i—P1i18.6 (3)C4—C9—C16—C17177.8 (4)
N1—Rh1—O1i—P1i159.8 (3)C4—C9—C16—C1861.4 (5)
Rh1—P1—O1—Rh1i21.5 (3)C4—C9—C16—C1960.2 (5)
O3—P1—O1—Rh1i108.7 (3)C8—C9—C16—C174.5 (5)
O4—P1—O1—Rh1i145.0 (2)C8—C9—C16—C18125.3 (4)
Rh1—P1—O3—C456.6 (3)C8—C9—C16—C19113.2 (4)
O1—P1—O3—C4171.6 (2)O4—C10—C11—C53.0 (5)
O4—P1—O3—C460.1 (3)O4—C10—C11—C12175.9 (3)
Rh1—P1—O4—C10151.5 (2)C15—C10—C11—C5176.3 (3)
O1—P1—O4—C1077.8 (3)C15—C10—C11—C122.5 (5)
O3—P1—O4—C1027.6 (3)O4—C10—C15—C14175.7 (3)
P1—O3—C4—C571.7 (4)O4—C10—C15—C244.4 (5)
P1—O3—C4—C9113.8 (3)C11—C10—C15—C142.4 (5)
P1—O4—C10—C1162.6 (4)C11—C10—C15—C24177.7 (3)
P1—O4—C10—C15123.9 (3)C5—C11—C12—C13178.2 (3)
O3—C4—C5—C6179.8 (3)C10—C11—C12—C130.8 (6)
O3—C4—C5—C116.6 (5)C11—C12—C13—C141.0 (6)
C9—C4—C5—C65.9 (5)C11—C12—C13—C28179.9 (3)
C9—C4—C5—C11167.8 (3)C12—C13—C14—C151.1 (6)
O3—C4—C9—C8178.9 (3)C28—C13—C14—C15180.0 (4)
O3—C4—C9—C167.5 (5)C12—C13—C28—C29A61.4 (5)
C5—C4—C9—C86.9 (5)C12—C13—C28—C30A55.1 (5)
C5—C4—C9—C16166.7 (4)C12—C13—C28—C31A173.9 (4)
C4—C5—C6—C70.7 (6)C14—C13—C28—C29A119.7 (4)
C11—C5—C6—C7173.2 (3)C14—C13—C28—C30A123.8 (4)
C4—C5—C11—C1048.6 (5)C14—C13—C28—C31A5.0 (6)
C4—C5—C11—C12132.6 (4)C13—C14—C15—C100.5 (6)
C6—C5—C11—C10137.8 (4)C13—C14—C15—C24179.6 (4)
C6—C5—C11—C1241.0 (5)C10—C15—C24—C2554.0 (5)
C5—C6—C7—C83.0 (6)C10—C15—C24—C2668.9 (5)
C5—C6—C7—C20179.2 (4)C10—C15—C24—C27172.6 (4)
C6—C7—C8—C91.8 (6)C14—C15—C24—C25126.1 (4)
C20—C7—C8—C9179.6 (4)C14—C15—C24—C26111.1 (4)
C6—C7—C20—C21A176.8 (5)C14—C15—C24—C277.5 (5)
C6—C7—C20—C22A53.8 (6)
Symmetry code: (i) x, y+1, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C18—H18C···O30.982.423.067 (5)123
C19—H19C···O30.982.423.082 (5)124
C25—H25B···O40.982.262.923 (4)124
C26—H26B···O10.982.343.306 (5)168
 

Follow Acta Cryst. E
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds