Information card for entry 7115828

Structure parameters

• Formula: C48 H55 B10 F6 P3 Rh2 S2
• Calculated formula: C48 H55 B10 F6 P3 Rh2 S2
• SMILES: [BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%15%16[BH]%178%11[BH]8%1159[BH]516[BH]2%14([BH]%15%1785[S]1[Rh]2([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)[Rh]56891([c]1([c]5([c]6([c]8([c]91C)C)C)C)C)[S]%112)[CH]4%13%16[CH]37%10%12.[P](F)(F)(F)(F)(F)[F-]
• 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: 25.34 ± 0.003 Å
• b: 20.953 ± 0.002 Å
• c: 22.865 ± 0.002 Å
• α: 90°
• β: 93.648 ± 0.003°
• γ: 90°
• Cell volume: 12116 ± 2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• 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: 0.059
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No