Information card for entry 4308913

Structure parameters

• Formula: C12 H14 Cu3 N6 O8
• Calculated formula: C12 H4 Cu3 N6 O8
• Title of publication: Hydrothermal Syntheses and Structures of Two Mixed-Valence Copper(I,II) 2-Pyrazinecarboxylate Coordination Polymers
• Authors of publication: Xian-Ming Zhang; Rui-Qin Fang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 3955 - 3959
• a: 7.0895 ± 0.0012 Å
• b: 9.5172 ± 0.0016 Å
• c: 13.843 ± 0.002 Å
• α: 90°
• β: 100.527 ± 0.003°
• γ: 90°
• Cell volume: 918.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1021
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.169
• Weighted residual factors for all reflections included in the refinement: 0.2038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.205
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No