Information card for entry 4073497

Structure parameters

• Formula: C26 H50 B10 Li O4 Rh S3
• Calculated formula: C26 H46 B10 Li O4 Rh S3
• SMILES: [Rh]12345(S[C]6789[C]%10%11%12(S1)[BH]1%136[BH]6%147[BH]7%158[BH]89%10[BH]9%10%15[BH]%15%147[BH]7%136[BH]6%111[BH]%1289[BH]%10%1576)(Sc1ccccc1)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.[Li]([OH2])([OH2])([O]1CCCC1)[O]1CCCC1
• Title of publication: Trinuclear Rh2M Complexes (M = Ni, Pd) Bridged by Butyl Selenolato and Carborane Diselenolato Ligands
• Authors of publication: Cai, Shuyi; Jin, Guo-Xin
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 22
• Pages of publication: 5442
• a: 12.094 ± 0.002 Å
• b: 12.297 ± 0.002 Å
• c: 14.618 ± 0.003 Å
• α: 88.707 ± 0.003°
• β: 73.95 ± 0.003°
• γ: 79.967 ± 0.003°
• Cell volume: 2056.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1556
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.197
• Weighted residual factors for all reflections included in the refinement: 0.2165
• Goodness-of-fit parameter for all reflections included in the refinement: 0.818
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No