Information card for entry 4072245

Structure parameters

• Formula: C36 H68 B20 Cl4 N4 Rh2 S4
• Calculated formula: C36 H68 B20 Cl4 N4 Rh2 S4
• SMILES: [BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%15%16[BH]%171([BH]125[BH]27%10[BH]9%13%15[BH]%16%1712)[C]14%12%14[C]368%11S[Rh]2345(=C6N(C=CN6C)CCN6C(N(C=C6)C)=[Rh]6789%10([c]%11([c]%10([c]9([c]8([c]6%11C)C)C)C)C)S[C]689%10[BH]%11%12%13[BH]%14%156[BH]6%168[BH]8%179[BH]9%18%19[BH]%20%11([BH]%11%12%14[BH]%12%156[BH]%16%17%18[BH]%19%20%11%12)[C]%10%1389S7)([c]6([c]5([c]4([c]3([c]26C)C)C)C)C)S1.C(Cl)Cl.C(Cl)Cl
• Title of publication: Synthesis and Characterization of Binuclear Half-Sandwich Iridium and Rhodium Carbene Complexes Containing 1,2-Dichalcogenolato Carborane or Carbonato Ligands
• Authors of publication: Jia, Wei-Guo; Han, Ying-Feng; Jin, Guo-Xin
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 22
• Pages of publication: 6035
• a: 11.104 ± 0.008 Å
• b: 11.219 ± 0.008 Å
• c: 14.042 ± 0.01 Å
• α: 71.071 ± 0.009°
• β: 78.586 ± 0.009°
• γ: 62.268 ± 0.008°
• Cell volume: 1462.3 ± 1.8 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: 0.0705
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1561
• Weighted residual factors for all reflections included in the refinement: 0.1649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No