Information card for entry 1569231

Structure parameters

• Common name: 4-Picolylammonium perchlorate monohydrate
• Chemical name: Pyridin-4-ylmethanaminium perchlorate monohydrate
• Formula: C6 H11 Cl N2 O5
• Calculated formula: C6 H11 Cl N2 O5
• Title of publication: Pyridin-4-ylmethanaminium perchlorate monohydrate
• Authors of publication: Seidel, Rüdiger W.; Kolev, Tsonko M.
• Journal of publication: IUCrData
• Year of publication: 2023
• Journal volume: 8
• Journal issue: 5
• a: 9.1239 ± 0.0002 Å
• b: 22.1397 ± 0.0006 Å
• c: 9.5463 ± 0.0003 Å
• α: 90°
• β: 101.799 ± 0.003°
• γ: 90°
• Cell volume: 1887.61 ± 0.09 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 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: 0.0736
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No