Information card for entry 1546921

Structure parameters

• Chemical name: Ammonium hydrogen bis[(3-chloro-2-methylphenoxy)acetate]
• Formula: C18 H21 Cl2 N O6
• Calculated formula: C18 H21 Cl2 N O6
• Title of publication: Ammonium hydrogen bis[(3-chloro-2-methylphenoxy)acetate]
• Authors of publication: Smith, Graham
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 8
• Pages of publication: x171223
• a: 4.7434 ± 0.0005 Å
• b: 6.8568 ± 0.0008 Å
• c: 15.0374 ± 0.0015 Å
• α: 100.88 ± 0.009°
• β: 92.184 ± 0.008°
• γ: 103.053 ± 0.009°
• Cell volume: 466.21 ± 0.09 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes