Information card for entry 2011760

Structure parameters

• Chemical name: N,N,N'-Trimethylethylenediammonium Chloride
• Formula: C10 H32 Cl4 N4
• Calculated formula: C10 H32 Cl4 N4
• SMILES: [Cl-].[Cl-].[NH+](C)(C)CC[NH2+]C
• Title of publication: <i>N</i>,<i>N</i>,<i>N</i>'-Trimethylethylenediammonium dichloride
• Authors of publication: Errington, William; Somasunderam, Usha; Willey, Gerald R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 2
• Pages of publication: 190 - 191
• a: 11.1419 ± 0.0012 Å
• b: 20.2089 ± 0.0014 Å
• c: 8.7321 ± 0.0009 Å
• α: 90°
• β: 110.644 ± 0.004°
• γ: 90°
• Cell volume: 1839.9 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.1244
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes