Information card for entry 4301635

Structure parameters

• Formula: C45 H49 N2 Ni S
• Calculated formula: C45 H49 N2 Ni S
• Title of publication: Synthesis and Reactions of Mono- and Dinuclear Ni(I) Thiolate Complexes
• Authors of publication: Mikinao Ito; Tsuyoshi Matsumoto; Kazuyuki Tatsumi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 2215 - 2223
• a: 12.5951 ± 0.0016 Å
• b: 19.079 ± 0.002 Å
• c: 32.223 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7743.2 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No