Information card for entry 7010637

Structure parameters

• Chemical name: Dinatrium trihydrogentriphosphide-ammonia(1/8)
• Formula: H27 N8 Na2 P3
• Calculated formula: H27 N8 Na2 P3
• SMILES: [NH3][Na]([NH3])([NH3])([NH3])[NH3].[Na]1(PPP1)([NH3])([NH3])[NH3]
• Title of publication: The first catena-trihydrogen triphosphide: synthesis and crystal structure of [Na(NH3)5][Na(NH3)3(P3H3)]
• Authors of publication: Korber, Nikolaus; Aschenbrenner, Jürgen
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 8
• Pages of publication: 1165
• a: 7.34 ± 0.0007 Å
• b: 10.2514 ± 0.0008 Å
• c: 10.873 ± 0.001 Å
• α: 90°
• β: 96.5 ± 0.01°
• γ: 90°
• Cell volume: 812.88 ± 0.13 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No