Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7032770
Preview
| Coordinates | 7032770.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C47 H38 Cu F6 N2 O P3 |
|---|---|
| Calculated formula | C47 H38 Cu F6 N2 O P3 |
| Title of publication | [Cu(bpy)(P^P)](+) containing light-emitting electrochemical cells: improving performance through simple substitution. |
| Authors of publication | Keller, Sarah; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Prescimone, Alessandro; Longo, Giulia; Pertegás, Antonio; Sessolo, Michele; Bolink, Henk J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 44 |
| Pages of publication | 16593 - 16596 |
| a | 9.7056 ± 0.0004 Å |
| b | 16.3421 ± 0.0007 Å |
| c | 29.3522 ± 0.0014 Å |
| α | 90° |
| β | 96.439 ± 0.002° |
| γ | 90° |
| Cell volume | 4626.2 ± 0.4 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 7 |
| 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 | 0.0398 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for all reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.0393 |
| Weighted residual factors for all reflections included in the refinement | 0.0392 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0728 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7032770.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7032770.cif |
| 126429 | 2014-11-06 | cif/ Updating files of 7032770, 7032771 Original log message: Adding full bibliography for 7032770--7032771.cif. |
7032770.cif |
| 125126 | 2014-10-09 | cif/ Adding structures of 7032770, 7032771 via cif-deposit CGI script. |
7032770.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.