Information card for entry 2206792

Structure parameters

• Common name: C26 H32 N4 P4 O12
• Chemical name: Bis(4,4'-diphenylmethylendiammonium) cyclotetraphosphate
• Formula: C26 H32 N4 O12 P4
• Calculated formula: C26 H32 N4 O12 P4
• SMILES: [NH3+]c1ccc(cc1)Cc1ccc([NH3+])cc1.P1(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O1.C(c1ccc([NH3+])cc1)c1ccc([NH3+])cc1
• Title of publication: 4,4'-Methylenedianilinium hemi(cyclotetraphosphate)
• Authors of publication: Nahouane, Rachid; Soumhi, El Hassane; Saadoune, Ismael; Driss, Ahmed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o2850 - o2852
• a: 8.467 ± 0.002 Å
• b: 13.808 ± 0.003 Å
• c: 14.453 ± 0.002 Å
• α: 90°
• β: 106.62 ± 0.02°
• γ: 90°
• Cell volume: 1619.1 ± 0.6 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes