Information card for entry 7028523

Structure parameters

• Formula: C14 H22 Co I O2 P2 S
• Calculated formula: C14 H22 Co I O2 P2 S
• SMILES: [Co]1([P](C)(C)C)(I)(Sc2c(C1=O)cccc2)([P](C)(C)C)C#[O]
• 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: 18.283 ± 0.004 Å
• b: 8.5829 ± 0.0017 Å
• c: 12.412 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1947.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 0.863
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No