Information card for entry 7715756

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: 7.165 ± 0.0007 Å
• b: 9.216 ± 0.0008 Å
• c: 21.1039 ± 0.0018 Å
• α: 94.597 ± 0.003°
• β: 94.082 ± 0.003°
• γ: 93.219 ± 0.003°
• Cell volume: 1382.9 ± 0.2 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No