Information card for entry 7217905

Structure parameters

• Formula: C42 H24 N10 O12 Zn3
• Calculated formula: C42 H24 N10 O12 Zn3
• 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: 15.633 ± 0.003 Å
• b: 12.49 ± 0.003 Å
• c: 20.931 ± 0.004 Å
• α: 90°
• β: 95.38 ± 0.03°
• γ: 90°
• Cell volume: 4068.9 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1157
• 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