Information card for entry 1101124

Structure parameters

• Formula: C20 H32 Cu N10 O14
• Calculated formula: C20 H32 Cu N10 O14
• SMILES: [Cu]12([n]3c(c(nc4N(C)C(=O)N(C)C(=[O]1)c34)C)C)([OH2])([O]=C1N(C(=O)N(C)c3nc(c([n]2c13)C)C)C)[OH2].O=N(=O)[O-].O.O=N(=O)[O-].O
• Title of publication: Synthesis and structural studies on metal nitrate complexes with 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine: crystal structure of two new cobalt(II) and copper(II) three-dimensionally hydrogen-bonded complexes and a cadmium(II) complex with unusual geometry
• Authors of publication: Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 1998
• Journal volume: 277
• Pages of publication: 103 - 110
• a: 8.9929 ± 0.0007 Å
• b: 14.0574 ± 0.0009 Å
• c: 11.9242 ± 0.0007 Å
• α: 90°
• β: 98.124 ± 0.005°
• γ: 90°
• Cell volume: 1492.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1007
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No