Information card for entry 1101138

Structure parameters

• Formula: C16 H24 Cu N10 O14
• Calculated formula: C16 H24 Cu N10 O14
• Title of publication: A new three-dimensional, hydrogen-bonded metal-pteridine complex: synthesis, characterization and crystal structure of diaqua bis(1,3-dimethylpteridine-2,4(1H,3H)-dione-O^4^,N^5^) copper(II) nitrate dihydrate
• Authors of publication: Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas
• Journal of publication: Polyhedron
• Year of publication: 1997
• Journal volume: 16
• Pages of publication: 607 - 612
• a: 8.746 ± 0.0008 Å
• b: 13.874 ± 0.001 Å
• c: 10.678 ± 0.001 Å
• α: 90°
• β: 92.64 ± 0.01°
• γ: 90°
• Cell volume: 1294.4 ± 0.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.088
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No