Information card for entry 7030864

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
• Title of publication: Low temperature synthesis of ionic phosphates in dimethyl sulfoxide.
• Authors of publication: Mangstl, Martin; Celinski, Vinicius R.; Johansson, Sebastian; Weber, Johannes; An, Feng; Schmedt Auf der Günne, Jörn
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 26
• Pages of publication: 10033 - 10039
• a: 10.50568 ± 0.00014 Å
• b: 10.9861 ± 0.00015 Å
• c: 30.33966 ± 0.00042 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3501.7 ± 0.08 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 ± 2 K
• Ambient diffracton pressure: 1000 kPa
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for significantly intense reflections: 0.03296
• Weighted residual factors for all reflections included in the refinement: 0.04483
• Residual factor R(I) for significantly intense reflections: 0.995
• Goodness-of-fit parameter for all reflections: 1.194
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: CuKα1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No