Information card for entry 8105760

Structure parameters

• Formula: C62 H70 Cu3 N4 O32
• Calculated formula: C62 H70 Cu3 N4 O32
• Title of publication: Crystal structure of dodecaaqua-bis(μ2-4,4′-bipyridine-κ2 N:N′)-bis(4,4′-((5-carboxylato-1,3-phenylene)bis(oxy))dibenzoato-κ1 O)tricopper(II) - water (1/4), C62H70Cu3N4O32
• Authors of publication: Deng, Peng; Li, Da; Zhou, Yan; Ling, Zhi-Hong; Li, Yue-Ming
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 3
• Pages of publication: 499 - 501
• a: 44.71 ± 0.007 Å
• b: 12.8847 ± 0.0017 Å
• c: 11.9901 ± 0.0018 Å
• α: 90°
• β: 102.286 ± 0.013°
• γ: 90°
• Cell volume: 6749 ± 1.7 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: 0.1268
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.1978
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No