Information card for entry 4505976

Structure parameters

• Formula: C10 H7 Ca N3 O5
• Calculated formula: C10 H7 Ca N3 O5
• Title of publication: Assembly of Chiral/Achiral Coordination Polymers Based on 2-(Pyridine-3-yl)-1H-4,5-imidazoledicarboxylic Acid: Chirality Transfer between Chiral Two-Dimensional Networks Containing Helical Chains
• Authors of publication: Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 2355
• a: 6.7642 ± 0.001 Å
• b: 9.543 ± 0.0014 Å
• c: 16.524 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1066.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No