Information card for entry 2003886

Structure parameters

• Chemical name: Orthophénylènediammonium Bis(dihydrogénophosphate)
• Formula: C6 H14 N2 O8 P2
• Calculated formula: C6 H14 N2 O8 P2
• SMILES: c1(c(cccc1)[NH3+])[NH3+].P(=O)([O-])(O)O.P(=O)([O-])(O)O
• Title of publication: Orthophénylènediammonium Bis(dihydrogénophosphate)
• Authors of publication: Soumhi, E. H.; Jouini, T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 9
• Pages of publication: 1883 - 1885
• a: 6.7156 ± 0.0005 Å
• b: 9.8164 ± 0.0007 Å
• c: 10.098 ± 0.0005 Å
• α: 66.884 ± 0.004°
• β: 73.282 ± 0.005°
• γ: 73.301 ± 0.006°
• Cell volume: 574.76 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for all reflections: 0.0815
• Weighted residual factors for significantly intense reflections: 0.0793
• Goodness-of-fit parameter for all reflections: 1.08
• Goodness-of-fit parameter for significantly intense reflections: 1.112
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No