Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7708162
Preview
Coordinates | 7708162.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C6 H7 N9 O8 |
---|---|
Calculated formula | C6 H7 N9 O8 |
Title of publication | Novel metal-organic frameworks assembled from the combination of polynitro-pyrazole and 5-nitroamine-1,2,4-oxadiazole: synthesis, structure and thermal properties. |
Authors of publication | Yang, Feng; Xu, Yuangang; Wang, Pengcheng; Lin, Qiuhan; Lu, Ming |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2021 |
Journal volume | 50 |
Journal issue | 37 |
Pages of publication | 12906 - 12912 |
a | 7.8296 ± 0.0008 Å |
b | 22.796 ± 0.003 Å |
c | 7.4593 ± 0.0007 Å |
α | 90° |
β | 108.117 ± 0.003° |
γ | 90° |
Cell volume | 1265.4 ± 0.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.1695 |
Residual factor for significantly intense reflections | 0.0689 |
Weighted residual factors for significantly intense reflections | 0.159 |
Weighted residual factors for all reflections included in the refinement | 0.196 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7708162.html
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.