Information card for entry 2015718

Structure parameters

• Chemical name: poly[[μ-4,4'-bipyridine-μ~3~-pyridine,2,4,6-tricarboxylato-dicopper(I,II)] monohydrate]
• Formula: C18 H12 Cu2 N3 O7
• Calculated formula: C18 H12 Cu2 N3 O7
• Title of publication: A novel mixed-valence copper complex, poly[[μ~2~-4,4'-bipyridine-μ~3~-pyridine-2,4,6-tricarboxylato-dicopper(I,II)] monohydrate]
• Authors of publication: You-Ren Dong; Xian-Wen Wang; Yue-Qing Zheng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m19 - m21
• a: 12.823 ± 0.003 Å
• b: 8.28 ± 0.0017 Å
• c: 16.776 ± 0.003 Å
• α: 90°
• β: 101.53 ± 0.03°
• γ: 90°
• Cell volume: 1745.2 ± 0.7 ų
• Cell temperature: 298 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2079
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes