Information card for entry 8102804

Structure parameters

• Chemical name: 4,4'-bipyridine— 3,4,5-trihydroxybenzoic acid —water (1:2:2)
• Formula: C24 H24 N2 O12
• Calculated formula: C24 H24 N2 O12
• Title of publication: Crystal structure of 4,4'-bipyridine — 3,4,5-trihydroxybenzoic acid — water (1:2:2), C10H8N2 · 2C7H6O5 · 2H2O
• Authors of publication: Xiaolei Zhao; Qiang Wang; Xue Qing; Huo Yu; Gaopeng Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 4
• Pages of publication: 701
• a: 7.6571 ± 0.0011 Å
• b: 8.782 ± 0.0011 Å
• c: 8.862 ± 0.0011 Å
• α: 82.295 ± 0.001°
• β: 73.049 ± 0.001°
• γ: 82.385 ± 0.001°
• Cell volume: 562.14 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No