Information card for entry 7014508

Structure parameters

• Formula: C62 H65 Cu4 N10 O23.5
• Calculated formula: C62 H62 Cu4 N10 O23.5
• Title of publication: Self-assembly and characterization of copper 3,4-pyridinedicarboxylate complexes based on a variety of polynuclear hydroxo clusters.
• Authors of publication: Yan, Shao-Hua; Zheng, Xiang-Jun; Li, Li-Cun; Yuan, Da-Qiang; Jin, Lin-Pei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 8
• Pages of publication: 1758 - 1767
• a: 19.5404 ± 0.0004 Å
• b: 13.6621 ± 0.0003 Å
• c: 26.2612 ± 0.0005 Å
• α: 90°
• β: 108.933 ± 0.001°
• γ: 90°
• Cell volume: 6631.5 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No