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Information card for entry 7236680
Preview
| Coordinates | 7236680.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H12 N12 O9 |
|---|---|
| Calculated formula | C6 H12 N12 O9 |
| Title of publication | Energetic derivatives of 4,4′,5,5′-tetranitro-2H,2′H-3,3′-bipyrazole (TNBP): synthesis, characterization and promising properties |
| Authors of publication | Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M. |
| Journal of publication | Journal of Materials Chemistry A |
| Year of publication | 2018 |
| Journal volume | 6 |
| Journal issue | 12 |
| Pages of publication | 5136 |
| a | 24.534 ± 0.007 Å |
| b | 3.7499 ± 0.0009 Å |
| c | 18.811 ± 0.005 Å |
| α | 90° |
| β | 122.434 ± 0.006° |
| γ | 90° |
| Cell volume | 1460.7 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 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 | 0.1332 |
| Residual factor for significantly intense reflections | 0.0665 |
| Weighted residual factors for significantly intense reflections | 0.1527 |
| Weighted residual factors for all reflections included in the refinement | 0.1835 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236417 (current) | 2019-11-24 | cif/ Adding structures of 7236677, 7236678, 7236679, 7236680 via cif-deposit CGI script. |
7236680.cif |
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Users of the data should acknowledge the original authors of the
structural data.