Information card for entry 4504181

Structure parameters

• Formula: C58 H44 Cu2 N6 O8
• Calculated formula: C58 H44 Cu2 N6 O8
• SMILES: C(=O)(c1ccccc1)O[Cu]([n]1ccc(cc1)c1ccncc1)([n]1ccc(cc1)c1cc[n](cc1)[Cu]([n]1ccc(cc1)c1ccncc1)(OC(=O)c1ccccc1)OC(=O)c1ccccc1)OC(=O)c1ccccc1
• 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: 5.8317 ± 0.0012 Å
• b: 21.157 ± 0.004 Å
• c: 20.679 ± 0.004 Å
• α: 90°
• β: 94.343 ± 0.003°
• γ: 90°
• Cell volume: 2544.1 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No