Information card for entry 8104995

Structure parameters

• Formula: C8 H10 Cl N O9
• Calculated formula: C8 H10 Cl N O9
• Title of publication: The crystal structure of 3,5-dicarboxybenzenaminium perchlorate monohydrate, C8H8ClNO9
• Authors of publication: Cai, Bin; Li, Shu-Jing; Zhu, Meng-En; Li, Meng-Qi; Meng, Yuning
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 235
• Journal issue: 1
• Pages of publication: 1 - 2
• a: 7.1284 ± 0.0003 Å
• b: 8.5538 ± 0.0005 Å
• c: 18.7089 ± 0.001 Å
• α: 90°
• β: 99.76 ± 0.002°
• γ: 90°
• Cell volume: 1124.26 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 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: 0.0424
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0672
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No