Information card for entry 2209036

Structure parameters

• Common name: L-histidinium trichloroacetate
• Chemical name: L-histidinium trichloroacetate
• Formula: C8 H10 Cl3 N3 O4
• Calculated formula: C8 H10 Cl2.9945 N3 O4
• Title of publication: <small>L</small>-Histidinium trichloroacetate
• Authors of publication: S. Gokul Raj; G. Ramesh Kumar; R. Mohan; R. Jayavel; Babu Varghese
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o1704 - o1706
• a: 5.4505 ± 0.0018 Å
• b: 25.769 ± 0.008 Å
• c: 9.21 ± 0.002 Å
• α: 90°
• β: 99.98 ± 0.02°
• γ: 90°
• Cell volume: 1274 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No