Information card for entry 1570299

Structure parameters

• Common name: Bistetramethylammonium hydrogencyclo-triphosphate
• Chemical name: Bistetramethylammonium hydrogencyclo-triphosphate
• Formula: C8 H25 N2 O9 P3
• Calculated formula: C8 H25 N2 O9 P3
• SMILES: P1(=O)(OP(=O)(OP(=O)([O-])O1)O)[O-].[N+](C)(C)(C)C.[N+](C)(C)(C)C
• Title of publication: Irreversible Phase Transition of Bistetramethylammonium Hydrogencyclotriphosphate
• Authors of publication: Mangstl, Martin; Celinski, Vinicius R.; Pritzel, Christian; Trettin, Reinhard; Schmedt auf der Günne, Jörn
• Journal of publication: Zeitschrift für anorganische und allgemeine Chemie
• Year of publication: 2017
• Journal volume: 643
• Journal issue: 21
• Pages of publication: 1609 - 1614
• a: 9.38279 ± 0.000086 Å
• b: 11.8196 ± 0.00009 Å
• c: 16.03958 ± 0.00015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1778.8 ± 0.03 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 ± 2 K
• Ambient diffracton pressure: 1000 kPa
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• RFsqd: 0.01471
• Goodness-of-fit parameter for all reflections: 1.61
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No