Information card for entry 2005610

Structure parameters

• Chemical name: Bis(o-phénylèneamineammonium) Bis(o-phénylènediammonium) cyclo-Hexaphosphate Dihydrate
• Formula: C24 H42 N8 O20 P6
• Calculated formula: C24 H42 N8 O20 P6
• SMILES: O.P1(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O1.c1(c(cccc1)[NH3+])[NH3+].c1(c(cccc1)N)[NH3+].O.c1(c(cccc1)[NH3+])[NH3+].c1(c(cccc1)N)[NH3+]
• Title of publication: Bis(<i>o</i>-aminophénylammonium) Bis(<i>o</i>-phénylènediammonium) <i>cyclo</i>-Hexaphosphate Dihydrate
• Authors of publication: Soumhi, E. H.; Jouini, T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2802 - 2805
• a: 9.8597 ± 0.0008 Å
• b: 11.522 ± 0.002 Å
• c: 9.333 ± 0.001 Å
• α: 92.19 ± 0.01°
• β: 115.18 ± 0.008°
• γ: 75.94 ± 0.01°
• Cell volume: 928.2 ± 0.2 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: 0.0356
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for all reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.0771
• Goodness-of-fit parameter for all reflections: 1.082
• Goodness-of-fit parameter for significantly intense reflections: 1.108
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No