Information card for entry 7217909

Structure parameters

• Formula: C66 H60 N20 Ni3 O21
• Calculated formula: C66 H58 N20 Ni3 O21
• Title of publication: Coordination assemblies of the MII-tm/bpt (M = Zn/Cd/Co/Ni) mixed-ligand system: positional isomeric effect, structural diversification and properties
• Authors of publication: Huang, Fu-Ping; Yao, Peng-Fei; Luo, Wei; Li, Hai-Ye; Yu, Qing; Bian, Hedong; Yan, Shi-Ping
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 11.324 ± 0.002 Å
• b: 12.462 ± 0.003 Å
• c: 13.474 ± 0.003 Å
• α: 78.55 ± 0.03°
• β: 71.71 ± 0.03°
• γ: 71.54 ± 0.03°
• Cell volume: 1702.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1961
• Residual factor for significantly intense reflections: 0.1085
• Weighted residual factors for significantly intense reflections: 0.1913
• Weighted residual factors for all reflections included in the refinement: 0.2319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No