Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7237159
Preview
Coordinates | 7237159.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C4 H15 N9 O12 |
---|---|
Calculated formula | C4 H15 N9 O12 |
Title of publication | Taming of tetranitroethane: a promising precursor for high performance energetic ingredients |
Authors of publication | Yin, Ping; Yu, Qiong; Dharavath, Srinivas; Shreeve, Jean'ne M. |
Journal of publication | Journal of Materials Chemistry A |
Year of publication | 2018 |
Journal volume | 6 |
Journal issue | 32 |
Pages of publication | 15815 |
a | 8.1131 ± 0.001 Å |
b | 8.6292 ± 0.001 Å |
c | 11.1334 ± 0.0013 Å |
α | 106.97 ± 0.001° |
β | 93.53 ± 0.001° |
γ | 105.554 ± 0.001° |
Cell volume | 709.89 ± 0.15 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0532 |
Residual factor for significantly intense reflections | 0.0453 |
Weighted residual factors for significantly intense reflections | 0.1253 |
Weighted residual factors for all reflections included in the refinement | 0.1369 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
237460 (current) | 2019-11-24 | cif/ Adding structures of 7237157, 7237158, 7237159, 7237160 via cif-deposit CGI script. |
7237159.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.