Information card for entry 4340100

Structure parameters

• Formula: C90 H90 Cu6 N6 O54
• Calculated formula: C90 H90 Cu6 N6 O54
• SMILES: C1(=O)c2ccc(cc2)C[n+]2cc(cc(c2)C(=O)O[Cu]([OH2])([OH2])(OC(=O)c2cc(c[n+](c2)Cc2ccc(cc2)C(=O)O[Cu](OC(=O)c2c[n+](cc(c2)C(=O)O[Cu](OC(=O)c2ccc(cc2)C[n+]2cc(cc(c2)C(=O)O[Cu](OC(=O)c2cc(c[n+](c2)Cc2ccc(cc2)C(=O)O[Cu](OC(=O)c2c[n+](cc(c2)C(=O)O[Cu](O1)([OH2])([OH2])[OH2])Cc1ccc(cc1)C(=O)[O-])([OH2])([OH2])[OH2])C(=O)[O-])([OH2])([OH2])[OH2])C(=O)[O-])([OH2])([OH2])[OH2])Cc1ccc(cc1)C(=O)[O-])([OH2])([OH2])[OH2])C(=O)[O-])[OH2])C(=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: 10.245 ± 0.006 Å
• b: 18.977 ± 0.011 Å
• c: 20.427 ± 0.011 Å
• α: 70.344 ± 0.008°
• β: 82.436 ± 0.009°
• γ: 77.001 ± 0.009°
• Cell volume: 3637 ± 4 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: 0.1464
• Residual factor for significantly intense reflections: 0.1151
• Weighted residual factors for significantly intense reflections: 0.2682
• Weighted residual factors for all reflections included in the refinement: 0.2801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No