Information card for entry 4340103

Structure parameters

• Formula: C30 H28 Cu N2 O16
• Calculated formula: C30 H28 Cu N2 O16
• SMILES: [Cu]([OH2])(OC(=O)c1c[n+](cc(c1)C(=O)[O-])Cc1ccc(cc1)C(=O)O)([OH2])([OH2])OC(=O)c1cc(c[n+](c1)Cc1ccc(cc1)C(=O)O)C(=O)[O-].O
• Title of publication: Transmetalation of a Dodecahedral Na9 Aggregate-Based Polymer: A Facile Route to Water Stable Cu(II) Coordination Networks.
• Authors of publication: Chen, Jin-Xiang; Chen, Ming; Ding, Ni-Ni; Chen, Wen-Hua; Zhang, Wen-Hua; Hor, T. S. Andy; Young, David J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 14
• Pages of publication: 7446 - 7454
• a: 8.3427 ± 0.0005 Å
• b: 9.0471 ± 0.0005 Å
• c: 38.228 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2885.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No