Information card for entry 1519022

Structure parameters

• Formula: C12 H54 N8 O24 P6
• Calculated formula: C12 N8 O24 P6
• SMILES: P1(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O1.O.O.O.O.O.O.N(CC[NH3+])(CC[NH3+])CC[NH3+].N(CC[NH3+])(CC[NH3+])CC[NH3+]
• Title of publication: Synthesis and crystal structure of((NH3CH2CH2)3N)2P6O18.6H2O
• Authors of publication: Marouani, H.; Rzaigui, M.
• Journal of publication: Solid State Sciences
• Year of publication: 1999
• Journal volume: 1
• Pages of publication: 395 - 408
• a: 10.281 ± 0.001 Å
• b: 11.083 ± 0.001 Å
• c: 9.307 ± 0.002 Å
• α: 103.83 ± 0.01°
• β: 108.56 ± 0.01°
• γ: 68.11 ± 0.01°
• Cell volume: 924.1 ± 0.2 ų
• Ambient diffraction temperature: 296 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 significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.034
• Goodness-of-fit parameter for all reflections included in the refinement: 5.19
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No