Information card for entry 7715757

Structure parameters

• Formula: C26 H26 N6 Ni S4
• Calculated formula: C26 H26 N6 Ni S4
• Title of publication: Polymorph transformation in a mixed-stacking nickel-dithiolene complex with the derivative of 4,4'-bipyridinium
• Authors of publication: Gao, Yan; Xu, Lei; Feng, Zi-Heng; Qian, yin; Tian, Zhengfang; Ren, Xiaoming
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 8.864 ± 0.002 Å
• b: 8.089 ± 0.002 Å
• c: 20.473 ± 0.005 Å
• α: 90°
• β: 98.664 ± 0.009°
• γ: 90°
• Cell volume: 1451.2 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1246
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No