Information card for entry 7032112

Structure parameters

• Common name: wb19mar14
• Formula: C18 H48 Co2 N2 P4 S2
• Calculated formula: C18 H48 Co2 N2 P4 S2
• SMILES: C[Co]1([P](C)(C)C)(C)([N]#CS[Co](C)(C)([N]#CS1)([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: 8.2115 ± 0.0012 Å
• b: 8.6027 ± 0.0012 Å
• c: 11.4434 ± 0.0016 Å
• α: 103.448 ± 0.005°
• β: 102.311 ± 0.005°
• γ: 105.632 ± 0.004°
• Cell volume: 723.54 ± 0.18 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.0439
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No