Information card for entry 2238459

Structure parameters

• Chemical name: (Dimethylphosphoryl)methanaminium iodide‒(dimethylphosphoryl)methanamine (1/1)
• Formula: C6 H21 I N2 O2 P2
• Calculated formula: C6 H21 I N2 O2 P2
• SMILES: [I-].P(=O)(C)(C)C[NH3+].P(=O)(C)(C)CN
• Title of publication: (Dimethylphosphoryl)methanaminium iodide‒(dimethylphosphoryl)methanamine (1/1)
• Authors of publication: Reiss, Guido J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: o1253 - o1254
• a: 17.7791 ± 0.0003 Å
• b: 11.1766 ± 0.0002 Å
• c: 6.91805 ± 0.00012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1374.68 ± 0.04 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0176
• Residual factor for significantly intense reflections: 0.0163
• Weighted residual factors for significantly intense reflections: 0.0321
• Weighted residual factors for all reflections included in the refinement: 0.0325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes