Information card for entry 7046544

Structure parameters

• Formula: C32 H44 Cl8 N4 Ni4 O8
• Calculated formula: C32 H44 Cl8 N4 Ni4 O8
• Title of publication: Evaluating the component contribution to the nonlinear optical performances using stable [Ni4O4] cuboidal clusters as models
• Authors of publication: Hao, Zhi-Min; Chao, Meng-Yao; Liu, Yan; Song, Ying-Lin; Yang, Junyi; Ding, lifeng; Zhang, Wen-Hua; Lang, Jian-Ping
• Journal of publication: Dalton Transactions
• Year of publication: 2018
• a: 16.035 ± 0.002 Å
• b: 16.5596 ± 0.0019 Å
• c: 18.461 ± 0.002 Å
• α: 90°
• β: 111.804 ± 0.004°
• γ: 90°
• Cell volume: 4551.3 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1546
• Residual factor for significantly intense reflections: 0.0981
• Weighted residual factors for significantly intense reflections: 0.2187
• Weighted residual factors for all reflections included in the refinement: 0.2499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No