Information card for entry 2224759

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Dicyclohexylethylenediammonium dichloride
• Formula: C14 H30 Cl2 N2
• Calculated formula: C14 H30 Cl2 N2
• SMILES: [NH2+](CC[NH2+]C1CCCCC1)C1CCCCC1.[Cl-].[Cl-]
• Title of publication: <i>N</i>,<i>N</i>'-Dicyclohexylethylenediammonium dichloride
• Authors of publication: Lechner, Bob-Dan; Merzweiler, Kurt
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o122
• a: 11.551 ± 0.003 Å
• b: 6.785 ± 0.002 Å
• c: 10.8434 ± 0.0017 Å
• α: 90°
• β: 91.892 ± 0.015°
• γ: 90°
• Cell volume: 849.4 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes