Information card for entry 2202201

Structure parameters

• Formula: C6 H23 N12 O7 P
• Calculated formula: C6 H23 N12 O7 P
• SMILES: n1c(nc([nH+]c1N)N)N.[nH+]1c(nc(nc1N)N)N.P(=O)([O-])[O-].O.O.O.O
• Title of publication: Bis(melaminium) hydrogen phosphite tetrahydrate
• Authors of publication: Gordon, Laura E.; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 2
• Pages of publication: o195 - o197
• a: 6.7702 ± 0.0003 Å
• b: 21.4106 ± 0.0011 Å
• c: 12.3411 ± 0.0006 Å
• α: 90°
• β: 98.108 ± 0.01°
• γ: 90°
• Cell volume: 1771.01 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0584
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes