Information card for entry 4332307

Structure parameters

• Chemical name: catena-[(mu-pyrazine-2,5-dicarboxylato-N,O:N,O)- {bis(ammin/aqua)copper(II)-water (1/1)]
• Formula: C6 H9 Cu N3 O6
• Calculated formula: C6 H9 Cu N3 O6
• Title of publication: Supramolecular Architectures and Magnetic Properties of Coordination Polymers Based on Pyrazinedicarboxylato Ligands Showing Embedded Water Clusters
• Authors of publication: Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; García-Couceiro, Urko; García-Terán, Juan P.; Román, Pascual
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 5367 - 5382
• a: 6.469 ± 0.001 Å
• b: 12.866 ± 0.002 Å
• c: 12.587 ± 0.003 Å
• α: 90°
• β: 113.96 ± 0.02°
• γ: 90°
• Cell volume: 957.3 ± 0.3 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: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 0.744
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No