Information card for entry 4030522

Structure parameters

• Formula: C8 H52 N8 O30 P8
• Calculated formula: C8 N8 O30 P8
• SMILES: C(C[NH3+])[NH3+].[NH3+]CC[NH3+].[NH3+]CC[NH3+].P1(=O)([O-])OP(=O)(OP(=O)(OP(=O)(OP(=O)([O-])OP(=O)(OP(=O)(OP(=O)(O1)[O-])[O-])[O-])[O-])[O-])[O-].O.O.O.C(C[NH3+])[NH3+].O.O.O
• Title of publication: Ethyllenediammonium cyclooctaphosphate hexahydrate: the first example of an organic-cation cyclooctaphosphate
• Authors of publication: Averbuch-Pouchot, M. T.; Durif, A.; Schulke, U.
• Journal of publication: European Journal of Solid State and Inorganic Chemistry
• Year of publication: 1993
• Journal volume: 30
• Pages of publication: 557 - 563
• a: 11.833 ± 0.002 Å
• b: 21.844 ± 0.003 Å
• c: 7.467 ± 0.002 Å
• α: 90°
• β: 98.49 ± 0.03°
• γ: 90°
• Cell volume: 1908.9 ± 0.7 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: 0.037
• Weighted residual factors for significantly intense reflections: 0.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No