Information card for entry 4076818

Structure parameters

• Formula: C37 H42 B11 P2 Rh
• Calculated formula: C37 H42 B11 P2 Rh
• SMILES: [Rh]123([P](c4ccccc4)(c4ccccc4)c4ccccc4)([P](c4ccccc4)(c4ccccc4)c4ccccc4)[H][B]24567[BH]289[BH]%10%116[BH]6%12%13[BH]%14%15%16[BH]%179([BH]9%18%14[BH]%146%16[BH]7%11%12[B]15%18%14([H]3)[BH]24%179)[CH]8%10%13%15
• Title of publication: Rhodium Phosphines Partnered with the Carborane Monoanions [CB11H6Y6]-(Y = H, Br). Synthesis and Evaluation as Alkene Hydrogenation Catalysts
• Authors of publication: Rifat, Adem; Patmore, Nathan J.; Mahon, Mary F.; Weller, Andrew S.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 14
• Pages of publication: 2856
• a: 9.2263 ± 0.0001 Å
• b: 14.5292 ± 0.0002 Å
• c: 28.4345 ± 0.0003 Å
• α: 90°
• β: 93.351 ± 0.0006°
• γ: 90°
• Cell volume: 3805.15 ± 0.08 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No