Information card for entry 7024535

Structure parameters

• Formula: C24 H35 B10 Cl Ir P S
• Calculated formula: C24 H35 B10 Cl Ir P S
• SMILES: [Ir]12345([P]([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%18S1)(c1ccccc1)c1ccccc1)(Cl)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C
• Title of publication: Neutral and zwitterionic half-sandwich Ir, Rh complexes supported by P,S-substituted o-carboranyl ligands: Synthesis, characterization and reactivity.
• Authors of publication: Huo, Xian-Kuan; Su, Ge; Jin, Guo-Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 8
• Pages of publication: 1954 - 1961
• a: 12.23 ± 0.004 Å
• b: 11.756 ± 0.004 Å
• c: 21.071 ± 0.006 Å
• α: 90°
• β: 98.154 ± 0.004°
• γ: 90°
• Cell volume: 2998.9 ± 1.7 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: 0.0353
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.0456
• Goodness-of-fit parameter for all reflections included in the refinement: 0.87
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No