Information card for entry 4331651

Structure parameters

• Formula: C22 H38 B9 Cl3 N P2 Rh S
• Calculated formula: C22 H38 B9 Cl3 N P2 Rh S
• SMILES: [Rh]123([P](c4ccccc4)(C)C)([P](c4ccccc4)(C)C)(Cl)[S]45[BH]678[BH]9%10%11[BH]146[BH]129[BH]24%10[BH]67%11[BH]47([H][B]3127[n]1ccccc1)[BH]586.ClCCl
• Title of publication: Reactions of 11-Vertex Rhodathiaboranes with HCl: Synthesis and Reactivity of New Cl-Ligated Clusters
• Authors of publication: Beatriz Calvo; Ramón Macías; Maria Jose Artigas; Fernando J. Lahoz; Luis A. Oro
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 211 - 221
• a: 14.6864 ± 0.0011 Å
• b: 16.7403 ± 0.0013 Å
• c: 26.01 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6394.7 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0531
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No