Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7050593
Preview
Coordinates | 7050593.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C6 H10 Ba N4 O8 S2 |
---|---|
Calculated formula | C6 H10 Ba N4 O8 S2 |
Title of publication | Pyrazole-4-sulfonate networks of alkali and alkaline-earth metals. Effect of cation size, charge, H-bonding and aromatic interactions on the three-dimensional supramolecular architecture |
Authors of publication | Mezei, Gellert; Raptis, Raphael G. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2003 |
Journal volume | 27 |
Journal issue | 9 |
Pages of publication | 1399 |
a | 11.3856 ± 0.0014 Å |
b | 4.9098 ± 0.0006 Å |
c | 24.348 ± 0.003 Å |
α | 90° |
β | 90.702 ± 0.002° |
γ | 90° |
Cell volume | 1361 ± 0.3 Å3 |
Cell temperature | 300 ± 2 K |
Ambient diffraction temperature | 300 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0243 |
Residual factor for significantly intense reflections | 0.0217 |
Weighted residual factors for significantly intense reflections | 0.0754 |
Weighted residual factors for all reflections included in the refinement | 0.0762 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.262 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7050593.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.