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Information card for entry 4002212
Preview
| Coordinates | 4002212.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301811 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 4/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
4002212.cif |
| 288070 | 2023-12-06 | cif/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9818. This change affected only the misspelt variants of the '_atom_site_site_symmetry_multiplicity' and '_atom_site_refinement_flag' data names. |
4002212.cif |
| 154595 | 2015-09-06 | cif/ Updating files of 4002212 Original log message: Adding full bibliography for 4002212.cif. |
4002212.cif |
| 138020 | 2015-06-05 | cif/ Adding structures of 4002212 via cif-deposit CGI script. |
4002212.cif |
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Users of the data should acknowledge the original authors of the
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