Information card for entry 2005517

Structure parameters

• Chemical name: Dicaesium ethyltrimethylammonium heptaphosphide-ammonia (1/2)
• Formula: C5 H20 Cs2 N3 P7
• Calculated formula: C5 H20 Cs2 N3 P7
• SMILES: [Cs+].N.[Cs+].[P-]1P2[P-]P3P([P-]2)P13.[N+](CC)(C)(C)C.N
• Title of publication: Dicaesium Ethyltrimethylammonium Heptaphosphide‒Ammonia (1/2)
• Authors of publication: Korber, N.; Daniels, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 10
• Pages of publication: 2454 - 2457
• a: 11.89 ± 0.002 Å
• b: 12.286 ± 0.003 Å
• c: 13.579 ± 0.003 Å
• α: 90°
• β: 94.32 ± 0.02°
• γ: 90°
• Cell volume: 1978 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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 all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for all reflections: 0.1073
• Weighted residual factors for significantly intense reflections: 0.1055
• Goodness-of-fit parameter for all reflections: 1.199
• Goodness-of-fit parameter for significantly intense reflections: 1.221
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No