Information card for entry 7029341

Structure parameters

• Formula: C26 H46 B20 P Rh S
• Calculated formula: C26 H46 B20 P Rh S
• SMILES: [Rh]1234([S]=P([C]5678[BH]9%10%11[BH]%12%13%14[BH]%15%16%17[BH]%185([BH]5%197[BH]769[BH]6%10%13[BH]9%12%16[BH]%15%185[BH]%19769)[C]18%11%14%17)(c1ccccc1)c1ccccc1)[C]1(C([C]4(=[C]3([C]2=1C)C)C)(C)[C]1234[BH]567[BH]893[BH]3%102[BH]2%111[BH]1%12%13[BH]%146([BH]658[BH]59%10[BH]321[BH]%12%1465)[CH]47%11%13)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: 11.212 ± 0.005 Å
• b: 11.898 ± 0.005 Å
• c: 15.278 ± 0.006 Å
• α: 72.745 ± 0.005°
• β: 71.626 ± 0.005°
• γ: 86.357 ± 0.005°
• Cell volume: 1846.1 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0542
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No