Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4336870
Preview
| Coordinates | 4336870.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | {[4-Cl-3,5-(CF3)2Pz]Cu}3 |
|---|---|
| Formula | C15 Cl3 Cu3 F18 N6 |
| Calculated formula | C15 Cl3 Cu3 F18 N6 |
| Title of publication | Trinuclear Copper(I) and Silver(I) Adducts of 4-Chloro-3,5-bis(trifluoromethyl)pyrazolate and 4-Bromo-3,5-bis(trifluoromethyl)pyrazolate |
| Authors of publication | Champika V. Hettiarachchi; Manal A. Rawashdeh-Omary; Daniel Korir; Jehan Kohistani; Muhammed Yousufuddin; H. V. Rasika Dias |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 13576 - 13583 |
| a | 7.231 ± 0.004 Å |
| b | 13.697 ± 0.008 Å |
| c | 14.946 ± 0.008 Å |
| α | 106.221 ± 0.007° |
| β | 102.082 ± 0.007° |
| γ | 104.873 ± 0.007° |
| Cell volume | 1309.3 ± 1.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.1498 |
| Residual factor for significantly intense reflections | 0.0588 |
| Weighted residual factors for significantly intense reflections | 0.1163 |
| Weighted residual factors for all reflections included in the refinement | 0.1396 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4336870.cif |
| 179471 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/68. |
4336870.cif |
| 102922 | 2014-02-24 | cif/ Adding structures of 4336870 via cif-deposit CGI script. |
4336870.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.