Information card for entry 2239406

Structure parameters

• Chemical name: Tetrakis(2-amino-5-chloropyridinium) dihydrogen cyclohexaphosphate
• Formula: C20 H26 Cl4 N8 O18 P6
• Calculated formula: C20 H26 Cl4 N8 O18 P6
• SMILES: OP1(=O)OP(=O)(OP(=O)(OP(=O)(O)OP(=O)(OP(=O)(O1)[O-])[O-])[O-])[O-].Clc1ccc([nH+]c1)N.Clc1ccc([nH+]c1)N.c1(ccc(c[nH+]1)Cl)N.c1(ccc(c[nH+]1)Cl)N
• Title of publication: Tetrakis(2-amino-5-chloropyridinium) dihydrogen cyclohexaphosphate
• Authors of publication: Hamdi, Ahmed; Khederi, Lamia; Rzaigui, Mohamed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: o342 - o343
• a: 9.199 ± 0.003 Å
• b: 9.304 ± 0.002 Å
• c: 11.327 ± 0.003 Å
• α: 74.98 ± 0.03°
• β: 85.17 ± 0.02°
• γ: 75.2 ± 0.02°
• Cell volume: 905.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1101
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.56087 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes