Information card for entry 4306723

Structure parameters

• Common name: PPN-Hexaazidophosphate
• Chemical name: bis(triphenylphosphoranylidene)ammonium hexakis(azido)phosphate
• Formula: C36 H30 N19 P3
• Calculated formula: C36 H30 N19 P3
• SMILES: c1(ccccc1)[P+](c1ccccc1)(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.[P](N=N#N)(N=N#N)(N=N#N)(N=N#N)(N=N#N)N=N#N
• Title of publication: Experimental and Theoretical Characterization of the Hexaazidophosphate(V) Ion
• Authors of publication: P. Portius; P. W. Fowler; H. Adams; T. Z. Todorova
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 12004 - 12009
• a: 9.6269 ± 0.0009 Å
• b: 9.8158 ± 0.0009 Å
• c: 10.1414 ± 0.001 Å
• α: 92.635 ± 0.005°
• β: 93.437 ± 0.005°
• γ: 92.105 ± 0.004°
• Cell volume: 954.83 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No