Information card for entry 7028524

Structure parameters

• Formula: C16 H31 Cl Co O P3 S
• Calculated formula: C16 H31 Cl Co O P3 S
• SMILES: [Co]1(Cl)([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)Sc2c(C1=O)cccc2
• Title of publication: Reactivity of mer-hydrido(2-mercaptobenzoyl)tris(trimethylphosphine)cobalt(iii) complex.
• Authors of publication: Niu, Qingfen; Sun, Hongjian; Wang, Lin; Hu, Qingping; Li, Xiaoyan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 10
• Pages of publication: 4059 - 4066
• a: 8.937 ± 0.008 Å
• b: 15.682 ± 0.013 Å
• c: 17.238 ± 0.013 Å
• α: 90°
• β: 113.86 ± 0.04°
• γ: 90°
• Cell volume: 2209 ± 3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.1718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No