Information card for entry 4504179

Structure parameters

• Formula: C58 H48 Cu N6 O9
• Calculated formula: C58 H48 Cu N6 O9
• SMILES: c1cc(cc[n]1[Cu](OC(=O)c1ccccc1)([OH2])([n]1ccc(cc1)c1ccncc1)OC(=O)c1ccccc1)c1ccncc1.C(=O)(c1ccccc1)O.c1nccc(c1)c1ccncc1.C(=O)(c1ccccc1)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: 13.992 ± 0.004 Å
• b: 5.7153 ± 0.0014 Å
• c: 31.126 ± 0.008 Å
• α: 90°
• β: 100.513 ± 0.005°
• γ: 90°
• Cell volume: 2447.3 ± 1.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No