Information card for entry 4065042

Structure parameters

• Formula: C24 H35 B9 P Rh S2
• Calculated formula: C24 H35 B9 P Rh S2
• SMILES: [Rh]12345([S]=P(c6ccccc6)([C]678[BH]9%10%11[BH]%12%13%14[BH]%1569[BH]69%12[BH]%12%16%13[BH]%13%10%14[BH]%10%16([BH]6%12([H]%10)[C]8%159S1)[BH]7%11%13)c1ccccc1)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Monophosphine-o-Carborane Sulfide as a Noninnocent Ligand for C,S, S,S′, and B,S,S′ Coordination Modes of Half-Sandwich Iridium and Rhodium Complexes
• Authors of publication: Yao, Zi-Jian; Jin, Guo-Xin
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 20
• Pages of publication: 5365
• a: 11.6277 ± 0.0008 Å
• b: 11.8557 ± 0.0015 Å
• c: 12.0237 ± 0.0008 Å
• α: 99.311 ± 0.001°
• β: 112.35 ± 0.001°
• γ: 99.731 ± 0.001°
• Cell volume: 1463.7 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.204
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No