Information card for entry 2212131

Structure parameters

• Chemical name: (p-Phenylenedimethylene)diammonium dichloride
• Formula: C8 H14 Cl2 N2
• Calculated formula: C8 H14 Cl2 N2
• SMILES: [NH3+]Cc1ccc(C[NH3+])cc1.[Cl-].[Cl-]
• Title of publication: (<i>p</i>-Phenylenedimethylene)diammonium dichloride
• Authors of publication: Arkenbout, Anne H.; Meetsma, Auke; Palstra, Thomas T. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o869 - o870
• a: 4.3496 ± 0.0008 Å
• b: 5.809 ± 0.001 Å
• c: 10.197 ± 0.002 Å
• α: 101.836 ± 0.003°
• β: 99.727 ± 0.003°
• γ: 93.8 ± 0.003°
• Cell volume: 247.18 ± 0.08 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes