Information card for entry 8101198

Structure parameters

• Formula: C16 H22 Cu N6 O8
• Calculated formula: C16 H22 Cu N6 O8
• SMILES: [Cu]12(NC3N(C(=O)N(C)C(=O)C=3C=[N]2NC(=[O]1)c1ccccc1)C)([OH]CC)[OH2].O=N(=O)[O-]
• Title of publication: Crystal structure of aqua-ethanol-O-(6-amino-5-formyl-1,3-dimethyluracilato- benzoylhydrazone-N,N',O) copper(II) nitrate, C~16~H~22~CuN~6~O~8~
• Authors of publication: Hueso-Ureña, Francisco; Moreno-Carretero, Miguel N.; Peñas-Chamorro, Antonio L.; Debaerdemaeker, Tony; Esteve, Vicente; Amigó, José M.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 1
• Pages of publication: 155 - 156
• a: 7.6063 ± 0.0012 Å
• b: 11.2078 ± 0.0017 Å
• c: 12.4564 ± 0.0019 Å
• α: 92.058 ± 0.016°
• β: 102.435 ± 0.016°
• γ: 104.23 ± 0.016°
• Cell volume: 1000.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0984
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No