Information card for entry 4326764

Structure parameters

• Formula: N9 P S
• Calculated formula: N9 P S
• SMILES: S=P(N=N#N)(N=N#N)N=N#N
• Title of publication: Synthesis and Characterization of the Phosphorus Triazides OP(N3)3 and SP(N3)3
• Authors of publication: Xiaoqing Zeng; Eduard Bernhardt; Helmut Beckers; Helge Willner
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 11235 - 11241
• a: 6.1031 ± 0.0005 Å
• b: 15.5542 ± 0.001 Å
• c: 7.6411 ± 0.0005 Å
• α: 90°
• β: 97.077 ± 0.008°
• γ: 90°
• Cell volume: 719.83 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No