Information card for entry 1101097

Structure parameters

• Formula: C16 H20 Cl2 Cu N8 O6
• Calculated formula: C16 H20 Cl2 Cu N8 O6
• SMILES: [Cu]12(Cl)(Cl)([O]=C3N(C(=O)N(C)c4ncc[n]1c34)C)[O]=C1N(C(=O)N(C)c3ncc[n]2c13)C.O.O
• Title of publication: Synthesis and structural studies on new M^II^X~2~L~2~ dihalocomplexes of 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine. Crystal structure of the monodimensionally hydrogen-bonded dichloro-bis(1,3-dimethylpteridine-2,4(1H,3H)-dione-O^4^,N^5^) copper(II) 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: 1999
• Journal volume: 18
• Pages of publication: 85 - 91
• a: 7.783 ± 0.001 Å
• b: 8.0754 ± 0.0009 Å
• c: 10.252 ± 0.002 Å
• α: 99.326 ± 0.012°
• β: 103.785 ± 0.013°
• γ: 118.47 ± 0.009°
• Cell volume: 520.67 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1578
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No