Information card for entry 1549639

Structure parameters

• Formula: C28 H50 Li2 N4 O27 P6
• Calculated formula: C28 H50 Li2 N4 O27 P6
• SMILES: P1(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)(O1)[O-].[Li]([OH2])[OH2].[Li]([OH2])[OH2].O.O(c1c([NH3+])cccc1)C.O(c1c([NH3+])cccc1)C.O(c1c([NH3+])cccc1)C.O(c1c([NH3+])cccc1)C
• Title of publication: Crystal Structure of a Hybrid Cyclohexaphosphate: [o-C7H10NO]4Li2P6O18·5H2O
• Authors of publication: RAOUDHA, Bel Haj Salah; LAMIA, Khedhiri; MOHAMED, Rzaigui
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2010
• Journal volume: 26
• Pages of publication: 45
• a: 19.964 ± 0.003 Å
• b: 9.417 ± 0.004 Å
• c: 23.52 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4422 ± 2 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for all reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections: 1.18
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.5608 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No