Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1501615
Preview
| Coordinates | 1501615.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H13 Cu F3 O6 |
|---|---|
| Calculated formula | C21 H13 Cu F3 O6 |
| Title of publication | Bond-valence approach to the copper-copper and copper-oxygen bonding in binuclear copper(II) complexes: Structure of tetrakis(2-fluorobenzoato-O,O')-bis (2-fluorobenzoate-O) dicopper(II) |
| Authors of publication | Fedor Valach; Miroslav Tokarčík; Thierry Maris; David J. Watkin; Keith Prout |
| Journal of publication | Zeitschrift für Kristallographie - Crystalline Materials |
| Year of publication | 2000 |
| Journal volume | 215 |
| Journal issue | 1 |
| Pages of publication | 56 - 60 |
| a | 10.633 ± 0.003 Å |
| b | 12.528 ± 0.003 Å |
| c | 14.729 ± 0.003 Å |
| α | 90 ± 0.02° |
| β | 91.62 ± 0.04° |
| γ | 90 ± 0.03° |
| Cell volume | 1961.3 ± 0.8 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.0448 |
| Weighted residual factors for significantly intense reflections | 0.0539 |
| Goodness-of-fit parameter for significantly intense reflections | 1.0574 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1501615.cif |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1501615.cif |
| 174773 | 2016-01-22 | cif/1/50/ (antanas@kurmis) Updating bibliography for entry 1501615. |
1501615.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501615.cif |
| 26834 | 2011-09-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501615 via cif-deposit CGI script. |
1501615.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.