Information card for entry 4002212

Structure parameters

• Formula: C3 H3 N3 O3
• Calculated formula: C3 H3 N3 O3
• SMILES: C1(=O)NC(=O)NC(=O)N1
• Title of publication: Nitrogen-Doping in ZnO via Combustion Synthesis?
• Authors of publication: Söllradl, Stefan; Greiwe, Magnus; Bukas, Vanessa J.; Buchner, Magnus R.; Widenmeyer, Marc; Kandemir, Timur; Zweifel, Tobias; Senyshyn, Anatoliy; Günther, Sebastian; Nilges, Tom; Türler, Andreas; Niewa, Rainer
• Journal of publication: Chemistry of Materials
• Year of publication: 2015
• Journal volume: 27
• Journal issue: 12
• Pages of publication: 4188
• a: 7.916 ± 0.0007 Å
• b: 6.7366 ± 0.0003 Å
• c: 9.078 ± 0.0008 Å
• α: 90°
• β: 90.737 ± 0.007°
• γ: 90°
• Cell volume: 484.06 ± 0.06 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for significantly intense reflections: 2.18
• Goodness-of-fit parameter for all reflections included in the refinement: 1.64
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No