Information card for entry 2023514

Structure parameters

• Chemical name: Bis[1,2-bis(3,5-dimethylphenyl)ethylene-1,2-dithiolato(1-)]nickel(II)
• Formula: C36 H36 Ni S4
• Calculated formula: C36 H36 Ni S4
• Title of publication: Bis[1,2-bis(3,5-dimethylphenyl)ethylene-1,2-dithiolato(1−)]nickel(II)
• Authors of publication: Das Gupta, Titir; Guite, Jackson; Hirt, LiWen; Zhang, Xiaodong; Donahue, James P.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: 6
• a: 8.4446 ± 0.0002 Å
• b: 14.0911 ± 0.0002 Å
• c: 13.588 ± 0.0002 Å
• α: 90°
• β: 96.133 ± 0.001°
• γ: 90°
• Cell volume: 1607.63 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0428
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No