Information card for entry 7033267

Structure parameters

• Formula: C26 H35 B10 N2 Rh S
• Calculated formula: C26 H35 B10 N2 Rh S
• SMILES: [Rh]12345(SC(=Nc6ccccc6)[C]6789[B]%10%11%121[BH]1%136[BH]6%147[BH]7%158[BH]8%16%17[BH]%18%10([BH]%10%111[BH]1%136[BH]%1478[BH]%16%18%101)[CH]9%12%15%17)(C#[N]c1ccccc1)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Metal-induced B-H bond activation: reactions between half-sandwich Ir and Rh complexes with carboranylthioamide.
• Authors of publication: Xu, Bin; Wang, Yin-Ping; Yao, Zi-Jian; Jin, Guo-Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 4
• Pages of publication: 1530 - 1533
• a: 10.4066 ± 0.0008 Å
• b: 12.2023 ± 0.001 Å
• c: 13.2217 ± 0.0011 Å
• α: 71.889 ± 0.001°
• β: 85.155 ± 0.001°
• γ: 67.032 ± 0.001°
• Cell volume: 1468 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0733
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.2064
• Weighted residual factors for all reflections included in the refinement: 0.2157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No