Information card for entry 4308914

Structure parameters

• Chemical name: Hydrothermal Syntheses and Structures of Two Mixed-valence Copper(I,II) 2-Pyrazinecarboxylate Coordination Polymers
• Formula: C10 H8 Br Cu2 N4 O5
• Calculated formula: C10 H6 Br Cu2 N4 O5
• 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: 13.156 ± 0.003 Å
• b: 7.7171 ± 0.0017 Å
• c: 26.148 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2654.7 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1033
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1499
• Weighted residual factors for all reflections included in the refinement: 0.1712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No