Information card for entry 7014612

Structure parameters

• Formula: C50 H42 B N7 Ni S2
• Calculated formula: C50 H42 B N7 Ni S2
• Title of publication: Redox-active nickel and cobalt tris(pyrazolyl)borate dithiocarbamate complexes: air-stable Co(II) dithiocarbamates.
• Authors of publication: Harding, David J.; Harding, Phimphaka; Dokmaisrijan, Supaporn; Adams, Harry
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 6
• Pages of publication: 1313 - 1321
• a: 14.026 ± 0.003 Å
• b: 25.042 ± 0.005 Å
• c: 12.672 ± 0.002 Å
• α: 90°
• β: 102.63 ± 0.003°
• γ: 90°
• Cell volume: 4343.2 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No