Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7701341
Preview
| Coordinates | 7701341.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H24 Cu F6 N4 O6 |
|---|---|
| Calculated formula | C24 H24 Cu F6 N4 O6 |
| Title of publication | Exploring and predicting intermolecular binding preferences in crystalline Cu(ii) coordination complexes. |
| Authors of publication | Kodrin, Ivan; Borovina, Mladen; Šmital, Luka; Valdés-Martínez, Jesús; Aakeröy, Christer B; Đaković, Marijana |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| a | 8.5478 ± 0.0004 Å |
| b | 9.2084 ± 0.0004 Å |
| c | 10.0669 ± 0.0005 Å |
| α | 114.584 ± 0.004° |
| β | 99.527 ± 0.004° |
| γ | 98.514 ± 0.004° |
| Cell volume | 689.52 ± 0.06 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0369 |
| Residual factor for significantly intense reflections | 0.0336 |
| Weighted residual factors for significantly intense reflections | 0.0922 |
| Weighted residual factors for all reflections included in the refinement | 0.0952 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219233 (current) | 2019-10-10 | cif/ Adding structures of 7701337, 7701338, 7701339, 7701340, 7701341, 7701342, 7701343, 7701344, 7701345, 7701346 via cif-deposit CGI script. |
7701341.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.