Information card for entry 4316860

Structure parameters

• Common name: carbonyl diazide
• Formula: C N6 O
• Calculated formula: C N6 O
• SMILES: O=C(N=N#N)N=N#N
• Title of publication: Synthesis and Characterization of Carbonyl Diazide, OC(N3)2
• Authors of publication: Xiaoqing Zeng; Michael Gerken; Helmut Beckers; Helge Willner
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 9694 - 9699
• a: 5.431 ± 0.002 Å
• b: 5.797 ± 0.002 Å
• c: 13.8 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 434.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.218
• Weighted residual factors for all reflections included in the refinement: 0.224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.222
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No