Information card for entry 7032111

Structure parameters

• Common name: wb20mad14
• Formula: C12 H33 Co N P3 S
• Calculated formula: C12 H33 Co N P3 S
• SMILES: C[Co](C)(N=C=S)([P](C)(C)C)([P](C)(C)C)[P](C)(C)C
• Title of publication: C-H bond activation and S-atom transfer from cobalt(iii) thiolate and isothiocyanate complexes.
• Authors of publication: Xu, Hongwei; Williard, Paul G.; Bernskoetter, Wesley H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 39
• Pages of publication: 14696 - 14700
• a: 8.8277 ± 0.0003 Å
• b: 13.5957 ± 0.0005 Å
• c: 15.9916 ± 0.0006 Å
• α: 90°
• β: 91.602 ± 0.0012°
• γ: 90°
• Cell volume: 1918.54 ± 0.12 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• 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: 0.0233
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No