Information card for entry 1101073

Structure parameters

• Formula: C20 H20 Cu2 N16 O8
• Calculated formula: C20 H20 Cu2 N16 O8
• SMILES: [Cu]([OH2])(n1c(=O)ccn2nc[n]([Cu]345[OH2])c12)(n1c(=O)ccn2nc[n]5c12)([n]1cnn2ccc(=O)n3c12)[n]1cnn2ccc(=O)n4c12.O.O
• Authors of publication: Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; José A. Dobado; José Molina Molina; Manuel G. Basallote; M. Ángeles Máñez
• Journal of publication: European Journal of Inorganic Chemistry
• Year of publication: 2002
• Pages of publication: 811 - 818
• a: 10.2473 ± 0.0005 Å
• b: 16.1318 ± 0.0008 Å
• c: 16.2087 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2679.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.1138
• Weighted residual factors for significantly intense reflections: 0.1913
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No