Information card for entry 2022243

Structure parameters

• Chemical name: (<i>N</i>,<i>N</i>-Dibutyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')[tris(3,5-diphenylpyrazol-1-yl-κ<i>N</i>^2^)hydroborato]cobalt(II)
• Formula: C54 H52 B Co N7 S2
• Calculated formula: C54 H52 B Co N7 S2
• Title of publication: Conformational polymorphism in a cobalt(II) dithiocarbamate complex
• Authors of publication: Songkerdthong, Jetnipat; Harding, Phimphaka; Harding, David J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 9
• a: 11.69503 ± 0.0001 Å
• b: 15.27162 ± 0.00013 Å
• c: 15.43643 ± 0.00016 Å
• α: 117.441 ± 0.0009°
• β: 100.791 ± 0.0008°
• γ: 94.2199 ± 0.0007°
• Cell volume: 2362.76 ± 0.04 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 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: 0.0364
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes