Information card for entry 2225266

Structure parameters

• Chemical name: Bis(oxonium) tetrakis(<i>o</i>-toluidinium) cyclohexaphosphate
• Formula: C28 H46 N4 O20 P6
• Calculated formula: C28 H46 N4 O20 P6
• SMILES: c1(c(C)cccc1)[NH3+].c1(c(cccc1)C)[NH3+].[O-]P1(=O)OP(=O)([O-])OP(=O)(OP(=O)([O-])OP(=O)([O-])OP(=O)(O1)[O-])[O-].[OH3+].c1(c(cccc1)C)[NH3+].c1(c(cccc1)C)[NH3+].[OH3+]
• Title of publication: Bis(oxonium) tetrakis(<i>o</i>-toluidinium) cyclohexaphosphate
• Authors of publication: Marouani, Houda; Rzaigui, Mohamed; Al-Deyab, Salem S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o702
• a: 9.344 ± 0.003 Å
• b: 10.36 ± 0.002 Å
• c: 11.537 ± 0.002 Å
• α: 95.35 ± 0.04°
• β: 92.23 ± 0.03°
• γ: 116 ± 0.05°
• Cell volume: 995.4 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.1388
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes