Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7061032
Preview
Coordinates | 7061032.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H10 N8 O8 Zn |
---|---|
Calculated formula | C16 H10 N8 O8 Zn |
Title of publication | Effects of transition metal cations and temperature on the luminescence of a 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrole-2-olate anion |
Authors of publication | Gurskiy, Stanislav I.; Maklakov, Sergey S.; Dmitrieva, Natalia E.; Tafeenko, Viktor A. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2021 |
Journal volume | 45 |
Journal issue | 46 |
Pages of publication | 21684 - 21691 |
a | 7.054 ± 0.0006 Å |
b | 7.9485 ± 0.0006 Å |
c | 9.4149 ± 0.0007 Å |
α | 90.829 ± 0.006° |
β | 110.004 ± 0.006° |
γ | 93.622 ± 0.006° |
Cell volume | 494.68 ± 0.07 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.172 |
Residual factor for significantly intense reflections | 0.0764 |
Weighted residual factors for significantly intense reflections | 0.1875 |
Weighted residual factors for all reflections included in the refinement | 0.2706 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.963 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
271195 (current) | 2021-12-07 | cif/ Updating files of 7061031, 7061032 Original log message: Adding full bibliography for 7061031--7061032.cif. |
7061032.cif |
270173 | 2021-10-30 | cif/ Adding structures of 7061031, 7061032 via cif-deposit CGI script. |
7061032.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.