Information card for entry 4320070

Structure parameters

• Formula: C16 H32 N Ni S4
• Calculated formula: C16 H32 N Ni S4
• Title of publication: Nickel Dithiolenes Revisited: Structures and Electron Distribution from Density Functional Theory for the Three-Member Electron-Transfer Series [Ni(S2C2Me2)2]0,1-,2-
• Authors of publication: Booyong S. Lim; Dmitry V. Fomitchev; R. H. Holm
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 4257 - 4262
• a: 13.1072 ± 0.0012 Å
• b: 12.3214 ± 0.0011 Å
• c: 13.1751 ± 0.0012 Å
• α: 90°
• β: 101.085 ± 0.002°
• γ: 90°
• Cell volume: 2088.1 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No