Information card for entry 2003653

Structure parameters

• Chemical name: Ortho-phénylènediammonium Dihydrogénodiphosphate
• Formula: C6 H12 N2 O7 P2
• Calculated formula: C6 H12 N2 O7 P2
• SMILES: P(=O)([O-])(O)OP(=O)([O-])O.[NH3+]c1c([NH3+])cccc1
• Title of publication: <i>o</i>-Phénylènediammonium Dihydrogénodiphosphate
• Authors of publication: Soumhi, E. H.; Jouini, T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 7
• Pages of publication: 1457 - 1459
• a: 7.2169 ± 0.0005 Å
• b: 7.2821 ± 0.0006 Å
• c: 11.5524 ± 0.0002 Å
• α: 82.154 ± 0.01°
• β: 87.096 ± 0.01°
• γ: 64.494 ± 0.01°
• Cell volume: 542.8 ± 0.08 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: 0.031
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for all reflections: 0.0808
• Weighted residual factors for significantly intense reflections: 0.0801
• Goodness-of-fit parameter for all reflections: 2.817
• Goodness-of-fit parameter for significantly intense reflections: 2.925
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No