Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7701346
Preview
| Coordinates | 7701346.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H14 Cu F6 N2 O5 |
|---|---|
| Calculated formula | C16 H14 Cu F6 N2 O5 |
| 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 | 6.7411 ± 0.0003 Å |
| b | 15.966 ± 0.0008 Å |
| c | 18.5837 ± 0.0006 Å |
| α | 90° |
| β | 94.453 ± 0.003° |
| γ | 90° |
| Cell volume | 1994.1 ± 0.15 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0693 |
| Residual factor for significantly intense reflections | 0.0495 |
| Weighted residual factors for significantly intense reflections | 0.134 |
| Weighted residual factors for all reflections included in the refinement | 0.1484 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| 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. |
7701346.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.