Information card for entry 2206408

Structure parameters

• Chemical name: Bis(2-amino-5-chloropyridinium) dihydrogenodiphosphate
• Formula: C10 H14 Cl2 N4 O7 P2
• Calculated formula: C10 H14 Cl2 N4 O7 P2
• SMILES: c1(ccc(c[nH+]1)Cl)N.[O-]P(=O)(O)OP(=O)(O)[O-].c1(ccc(c[nH+]1)Cl)N
• Title of publication: Bis(2-amino-5-chloropyridinium) dihydrogendiphosphate
• Authors of publication: Akriche, Samah; Rzaigui, Mohamed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o2607 - o2609
• a: 16.872 ± 0.008 Å
• b: 11.144 ± 0.003 Å
• c: 11.266 ± 0.005 Å
• α: 90°
• β: 128.55 ± 0.03°
• γ: 90°
• Cell volume: 1656.6 ± 1.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.5608 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes