Information card for entry 7014507

Structure parameters

• Formula: C124 H130 Cu8 N20 O47
• Calculated formula: C124 H130 Cu8 N20 O47
• 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: 13.1865 ± 0.0005 Å
• b: 13.2457 ± 0.0005 Å
• c: 18.9036 ± 0.0007 Å
• α: 96.814 ± 0.003°
• β: 103.403 ± 0.002°
• γ: 93.479 ± 0.002°
• Cell volume: 3175.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0569
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No