Information card for entry 4065041

Structure parameters

• Formula: C24 H35 B10 Cl P Rh S2
• Calculated formula: C24 H35 B10 Cl P Rh S2
• SMILES: [Rh]12345(S[C]6789[BH]%10%11%12[BH]%13%146[BH]6%157[BH]7%168[BH]8%17%18[BH]%19%10([BH]%10%11%13[BH]%11%146[BH]%1578[BH]%17%19%10%11)[C]9%12%16%18P(=[S]1)(c1ccccc1)c1ccccc1)(Cl)[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: 11.596 ± 0.005 Å
• b: 12.077 ± 0.005 Å
• c: 12.949 ± 0.006 Å
• α: 78.644 ± 0.007°
• β: 87.963 ± 0.007°
• γ: 77.167 ± 0.006°
• Cell volume: 1733.5 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1862
• Weighted residual factors for all reflections included in the refinement: 0.209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No