Information card for entry 8107121

Structure parameters

• Formula: C46 H48 Cu2 N8 O12
• Calculated formula: C46 H48 Cu2 N8 O12
• Title of publication: Crystal structure of dimethanolo-bis[μ-(2-(2-(5-(pyridin-2-yl)-1H-1,2,4-triazol-3-yl)phenoxy)benzoato)-κ5 O,O′,N:N′,N′′]dicopper(II) — methanol (1/2), C46H48Cu2N8O12
• Authors of publication: Qiang Li, Guo; Hong He, Jia; Yun Hui, Cai; Xu, Qiang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 4
• Pages of publication: 1127 - 1129
• a: 9.5638 ± 0.0009 Å
• b: 20.2142 ± 0.0019 Å
• c: 12.0825 ± 0.0011 Å
• α: 90°
• β: 94.696 ± 0.001°
• γ: 90°
• Cell volume: 2328 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• 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: 0.0323
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No