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Information card for entry 7235353
Preview
| Coordinates | 7235353.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H18 N16 O17 |
|---|---|
| Calculated formula | C14 H18 N16 O17 |
| Title of publication | A novel N‒N bond cleavage in 1,5-diaminotetrazole: synthesis and characterization of 5-picrylamino-1,2,3,4-tetrazole (PAT) |
| Authors of publication | Tang, Yongxing; Yang, Hongwei; Ju, Xuehai; Huang, Hui; Lu, Chunxu; Cheng, Guangbin |
| Journal of publication | Journal of Materials Chemistry A |
| Year of publication | 2014 |
| Journal volume | 2 |
| Journal issue | 12 |
| Pages of publication | 4127 |
| a | 18.6978 ± 0.0011 Å |
| b | 12.2385 ± 0.00013 Å |
| c | 13.6407 ± 0.0012 Å |
| α | 90° |
| β | 110.702 ± 0.003° |
| γ | 90° |
| Cell volume | 2919.9 ± 0.3 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0692 |
| Residual factor for significantly intense reflections | 0.0564 |
| Weighted residual factors for significantly intense reflections | 0.1416 |
| Weighted residual factors for all reflections included in the refinement | 0.1466 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 232716 (current) | 2019-11-23 | cif/ Adding structures of 7235353 via cif-deposit CGI script. |
7235353.cif |
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