Information card for entry 7002877

Structure parameters

• Formula: C32 H40 Cu2 N24 O13
• Calculated formula: C32 H34 Cu2 N24 O13
• Title of publication: Versatile binding behaviour of 4,6-dimethyl-1,2,3-triazolo[4,5-d]-pyrimidin-5,7-dionato in the presence of bipyrimidine. Supramolecular H-bond architectures
• Authors of publication: Maldonado, Carmen R.; Quirós, Miguel; Salas, Juan M.; Rodríguez-Diéguez, Antonio
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 46
• Pages of publication: 10311 - 10317
• a: 8.247 ± 0.0013 Å
• b: 10.866 ± 0.0017 Å
• c: 12.117 ± 0.0019 Å
• α: 80.533 ± 0.019°
• β: 80.839 ± 0.019°
• γ: 88.072 ± 0.019°
• Cell volume: 1057.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No