Information card for entry 4504180

Structure parameters

• Formula: C58 H66 Cu2 N6 O19
• Calculated formula: C58 H66 Cu2 N6 O19
• SMILES: C(=O)(c1ccccc1)O[Cu]([n]1ccc(cc1)c1cc[n](cc1)[Cu]([n]1ccc(cc1)c1ccncc1)(OC(=O)c1ccccc1)([OH2])OC(=O)c1ccccc1)([OH2])([n]1ccc(cc1)c1ccncc1)OC(=O)c1ccccc1.O.O.O.O.O.O.O.O.O
• Title of publication: pH-Dependent Assembly of Supramolecular Architectures from 0D to 2D Networks
• Authors of publication: Wu, Shu-Ting; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 9
• Pages of publication: 1746
• a: 30.283 ± 0.005 Å
• b: 15.139 ± 0.002 Å
• c: 14.457 ± 0.002 Å
• α: 90°
• β: 112.776 ± 0.003°
• γ: 90°
• Cell volume: 6111.1 ± 1.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0458
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No