Information card for entry 4105107

Structure parameters

• Common name: [DMPE2Ph][(PhO)4B]
• Formula: C36 H52 B O4 P4 Rh
• Calculated formula: C36 H52 B O4 P4 Rh
• SMILES: [B-](Oc1ccccc1)(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1.C[P]1(C)CC[P](C)(C)[Rh]21[P](C)(C)CC[P]2(C)C
• Title of publication: Thermodynamic Studies and Hydride Transfer Reactions from a Rhodium Complex to BX3 Compounds
• Authors of publication: Michael T. Mock; Robert G. Potter; Donald M. Camaioni; Jun Li; William G. Dougherty; W. Scott Kassel; Brendan Twamley; Daniel L. DuBois
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 14454 - 14465
• a: 9.3217 ± 0.0005 Å
• b: 23.7165 ± 0.0012 Å
• c: 17.4337 ± 0.0009 Å
• α: 90°
• β: 94.144 ± 0.001°
• γ: 90°
• Cell volume: 3844.1 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No