Information card for entry 3500135

Structure parameters

• Common name: phenylmethanaminium hexane-1-6-diaminium trichloride
• Formula: C13 H28 Cl3 N3
• Calculated formula: C13 H28 Cl3 N3
• Title of publication: phenylmethanaminium hexane-1-6-diaminium trichloride
• Authors of publication: Thierry Maris
• Journal of publication: Personal communication to COD
• Year of publication: 2023
• a: 11.71 ± 0.0005 Å
• b: 22.0828 ± 0.001 Å
• c: 7.7088 ± 0.0004 Å
• α: 90°
• β: 107.487 ± 0.002°
• γ: 90°
• Cell volume: 1901.29 ± 0.16 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1544
• Weighted residual factors for all reflections included in the refinement: 0.1617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes