Information card for entry 7115827

Structure parameters

• Formula: C12 H25 B10 F0 P0 Rh S2
• Calculated formula: C12 H25 B10 Rh S2
• SMILES: [Rh]12345(S[B]6789[B]%10%11%12(S1)[BH]1%13%14[BH]%157%10[BH]7%106[BH]6%168[BH]89%12[BH]9%111[BH]168[CH]6%10%16[BH]%13%157[CH]%14916)[c]1([c]3([c]4([c]2(C)[c]51C)C)C)C
• 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: 11.7502 ± 0.0018 Å
• b: 12.94 ± 0.002 Å
• c: 26.299 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3998.7 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No