Information card for entry 2200857

Structure parameters

• Chemical name: Tetramethylguanidinium chloride
• Formula: C5 H14 Cl N3
• Calculated formula: C5 H14 Cl N3
• SMILES: [Cl-].[NH2+]=C(N(C)C)N(C)C
• Title of publication: Tetramethylguanidinium chloride
• Authors of publication: Fischer, Axel K.; Jones, Peter G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: o218 - o219
• a: 6.979 ± 0.004 Å
• b: 13.153 ± 0.007 Å
• c: 9.283 ± 0.004 Å
• α: 90°
• β: 104.73 ± 0.04°
• γ: 90°
• Cell volume: 824.1 ± 0.8 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 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: 0.028
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes