Information card for entry 2200402

Structure parameters

• Chemical name: Hexamethylenediammonium hydrogenphosphite
• Formula: C6 H22 N2 O6 P2
• Calculated formula: C6 H22 N2 O6 P2
• SMILES: C(CCCCC[NH3+])[NH3+].[O-]P(=O)O.[O-]P(=O)O
• Title of publication: Pillared layered hydrogen-bonded network in hexamethylenediammonium hydrogenphosphite
• Authors of publication: Mahmoudkhani, Amir H.; Langer, Vratislav
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 9
• Pages of publication: o866 - o868
• a: 4.933 ± 0.0003 Å
• b: 8.9074 ± 0.0005 Å
• c: 14.8407 ± 0.0008 Å
• α: 90°
• β: 94.751 ± 0.001°
• γ: 90°
• Cell volume: 649.86 ± 0.06 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• 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: 0.0576
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes