Information card for entry 4505029

Structure parameters

• Formula: C7 H11 N6 O3
• Calculated formula: C7 H11 N6 O3
• Title of publication: Supramolecular Architectures and Helical Water Chains in Cocrystals of Melamine and Aromatic Carboxylic Acids
• Authors of publication: Zhang, Xiu-Lian; Chen, Xiao-Ming
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 2
• Pages of publication: 617
• a: 6.7992 ± 0.0008 Å
• b: 20.156 ± 0.002 Å
• c: 7.0861 ± 0.0008 Å
• α: 90°
• β: 93.366 ± 0.002°
• γ: 90°
• Cell volume: 969.44 ± 0.19 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1587
• Goodness-of-fit parameter for all reflections included in the refinement: 0.638
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No