Information card for entry 7028525

Structure parameters

• Formula: C20 H33 Co O3 P2 S Si
• Calculated formula: C20 H33 Co O3 P2 S Si
• SMILES: [Co](Sc1c(C(=O)/C=C/[Si](C)(C)C)cccc1)([P](C)(C)C)([P](C)(C)C)(C#[O])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: 12.503 ± 0.006 Å
• b: 17.273 ± 0.008 Å
• c: 13.307 ± 0.006 Å
• α: 90°
• β: 114.846 ± 0.008°
• γ: 90°
• Cell volume: 2608 ± 2 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: 0.0874
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1612
• Weighted residual factors for all reflections included in the refinement: 0.1783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No