Information card for entry 8101706

Structure parameters

• Formula: C7 H11 Cl N O4 P
• Calculated formula: C7 H11 Cl N O4 P
• SMILES: Clc1ccc(C[NH3+])cc1.P(=O)(O)(O)[O-]
• Title of publication: Crystal structure of 4-chlorobenzylammonium dihydrogenmonophosphate, (ClC~7~H~6~NH~3~)~H2~PO~4~
• Authors of publication: H. Dhaouadi; H. Marouani; M. Rzaigui
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 2
• Pages of publication: 135 - 136
• a: 7.246 ± 0.002 Å
• b: 9.134 ± 0.002 Å
• c: 30.518 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2019.8 ± 0.7 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections: 1.96
• Goodness-of-fit parameter for all reflections included in the refinement: 1.96
• Diffraction radiation wavelength: 0.5608 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No