Information card for entry 1101117

Structure parameters

• Formula: C20 H24 Cd N10 O10
• Calculated formula: C20 H24 Cd N10 O10
• SMILES: [Cd]1234([O]=C5N(C(=O)N(c6nc(c([n]3c56)C)C)C)C)(ON(=[O]1)=O)([O]=C1N(C(=O)N(C)c3nc(c([n]4c13)C)C)C)ON(=[O]2)=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: 8.5689 ± 0.0004 Å
• b: 18.5279 ± 0.0009 Å
• c: 8.6209 ± 0.0003 Å
• α: 90°
• β: 106.894 ± 0.003°
• γ: 90°
• Cell volume: 1309.62 ± 0.1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0795
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No