Information card for entry 4307281

Structure parameters

• Formula: C35 H26 Cl2 N2 Ni S2
• Calculated formula: C35 H24 Cl2 N2 Ni S2
• Title of publication: Square-Planar N2S2NiII Complexes with an Extended π-Conjugated System
• Authors of publication: Tatsuya Kawamoto; Kazunori Takeda; Masato Nishiwaki; Takashi Aridomi; Takumi Konno
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 4239 - 4247
• a: 12.507 ± 0.002 Å
• b: 13.842 ± 0.003 Å
• c: 18.215 ± 0.003 Å
• α: 90°
• β: 91.916 ± 0.014°
• γ: 90°
• Cell volume: 3151.7 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1904
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No