Information card for entry 7115831

Structure parameters

• Formula: C48 H55 B9 P2 Rh2 S2
• Calculated formula: C48 H55 B9 P2 Rh2 S2
• SMILES: [BH]1234[BH]567[BH]89%10[BH]%11%12([BH]%13%14[BH]%152([BH]216[B]159%11[B]%12%13%152[S]2[Rh]569%11%12([c]%13([c]5([c]6([c]9([c]%11%13C)C)C)C)C)[Rh]2([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[S]1%12)[CH]4%14[CH]37%10)[H]8
• Title of publication: Metal-metal redox synergy in selective B-H activation of ortho-carborane-9,12-dithiolate
• Authors of publication: Xiaolei Zhang; Zhiwen Zhou; Hong Yan
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 13077
• a: 10.4232 ± 0.0013 Å
• b: 22.0424 ± 0.0019 Å
• c: 25.4131 ± 0.0017 Å
• α: 90°
• β: 91.218 ± 0.003°
• γ: 90°
• Cell volume: 5837.4 ± 1 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No