Information card for entry 7029343

Structure parameters

• Formula: C28 H50 B20 Cl4 P Rh S3
• Calculated formula: C26 H46 B20 P Rh S3
• SMILES: [Rh]12345(S[C]6789[BH]%10%11%12[BH]%13%146[BH]6%157[BH]7%168[BH]8%17%15[BH]%15%146[BH]6%11%13[BH]%11%13%10[BH]78([BH]%17%156%11)[C]9%12%16%13P(=[S]1)(c1ccccc1)c1ccccc1)(S[C]1678[BH]9%10%11[BH]%12%131[BH]1%146[BH]6%157[BH]7%161[BH]1%176[BH]69([BH]9%10%12[BH]%13%147[BH]%16169)[CH]8%11%15%17)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C
• Title of publication: Nucleophilic addition of carborane anion to Ir, Rh-coordinated Cp* ring: C-C bond formation accompanied by reduction of metal center.
• Authors of publication: Yao, Zi-Jian; Lin, Yue-Jian; Xu, Bin; Jin, Guo-Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 13
• Pages of publication: 4938 - 4940
• a: 14.916 ± 0.009 Å
• b: 11.926 ± 0.007 Å
• c: 27.143 ± 0.015 Å
• α: 90°
• β: 101.332 ± 0.009°
• γ: 90°
• Cell volume: 4734 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1172
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1522
• Goodness-of-fit parameter for all reflections included in the refinement: 0.812
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No