Information card for entry 2217051

Structure parameters

• Chemical name: trans-cyclohexane-1,4-diammonium dichloride
• Formula: C6 H16 Cl2 N2
• Calculated formula: C6 H16 Cl2 N2
• SMILES: C1C(CCC(C1)[NH3+])[NH3+].[Cl-].[Cl-]
• Title of publication: Redetermination of <i>trans</i>-cyclohexane-1,4-diammonium dichloride
• Authors of publication: Guido J. Reiß; Bajorat, Sara
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o223 - o223
• a: 5.255 ± 0.0011 Å
• b: 14.89 ± 0.003 Å
• c: 6.3604 ± 0.0012 Å
• α: 90°
• β: 99.824 ± 0.018°
• γ: 90°
• Cell volume: 490.38 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0428
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes