Information card for entry 4030936

Structure parameters

• Formula: C8 H32 N4 O14 P4
• Calculated formula: C8 H32 N4 O14 P4
• SMILES: C(CCC[NH3+])[NH3+].O.P1(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O1.C(CCC[NH3+])[NH3+].O
• Title of publication: Structure of [NH~3~(CH~2~)~4~NH~3~]~2~P~4~O~12~ · 2H~2~O
• Authors of publication: Soumhi, E. H.; Saadoune, I.; Driss, A.; Jouini, T.
• Journal of publication: European Journal of Solid State and Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 35
• Journal issue: 10-11
• Pages of publication: 629 - 637
• a: 7.6728 ± 0.0008 Å
• b: 18.962 ± 0.003 Å
• c: 7.9789 ± 0.0009 Å
• α: 90°
• β: 111.751 ± 0.009°
• γ: 90°
• Cell volume: 1078.2 ± 0.2 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No