Information card for entry 7710199

Structure parameters

• Formula: C48 H56 N44 Ni4
• Calculated formula: C48 H56 N44 Ni4
• Title of publication: Self-assembly of Ni(ii) metallacycles (a square and a triangle) supported by tetrazine radical bridges
• Authors of publication: Wang, Te; Yao, Binling; Guo, Zhilin; Chang, Xiaoyong; Deng, Yi-Fei; Zhang, Yuan-Zhu
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 17.2932 ± 0.0004 Å
• b: 17.2932 ± 0.0004 Å
• c: 41.5378 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12422.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No