Information card for entry 1101074

Structure parameters

• Formula: C34 H34 Cu2 N14 O14
• Calculated formula: C34 H22 Cu2 N14 O14
• SMILES: [Cu]12([n]3cnn4c3nc(O[Cu]3([n]5cnn6c5nc(O1)cc6)([n]1c5c6[n]3cccc6ccc5ccc1)[OH2])cc4)([n]1c3c4[n]2cccc4ccc3ccc1)[OH2].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.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: 11.9565 ± 0.0015 Å
• b: 14.422 ± 0.003 Å
• c: 23.888 ± 0.004 Å
• α: 90°
• β: 104.132 ± 0.01°
• γ: 90°
• Cell volume: 3994.5 ± 1.2 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 295 ± 1 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 significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1386
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No