Information card for entry 7024537

Structure parameters

• Formula: C26 H39 B9 Cl2 O3 P Rh S
• Calculated formula: C26 H39 B9 Cl2 O3 P Rh S
• SMILES: [Rh]123456(S(=O)(=O)[C]789[B]%10%11%12([O]2C)[BH]2%13%14[BH]%15%16%10[BH]%10%17%14[BH]%14%18%13[BH]7%112[BH]8%14[BH]%10%18[BH]%15%17[C]9%12%16[P]1(c1ccccc1)c1ccccc1)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C.C(Cl)Cl
• 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: 14.934 ± 0.012 Å
• b: 11.386 ± 0.009 Å
• c: 22.427 ± 0.018 Å
• α: 90°
• β: 100.797 ± 0.013°
• γ: 90°
• Cell volume: 3746 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1603
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.1843
• Weighted residual factors for all reflections included in the refinement: 0.2089
• Goodness-of-fit parameter for all reflections included in the refinement: 0.818
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No