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Information card for entry 7032771
Preview
| Coordinates | 7032771.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C48.5 H45 Cl Cu F6 N2 O3 P3 |
|---|---|
| Calculated formula | C48.5 H45 Cl Cu F6 N2 O3 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 | 16.323 ± 0.0008 Å |
| b | 15.5884 ± 0.0009 Å |
| c | 20.3378 ± 0.0011 Å |
| α | 90° |
| β | 105.944 ± 0.003° |
| γ | 90° |
| Cell volume | 4975.9 ± 0.5 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1342 |
| Residual factor for significantly intense reflections | 0.0984 |
| Weighted residual factors for all reflections | 0.3235 |
| Weighted residual factors for significantly intense reflections | 0.2732 |
| Weighted residual factors for all reflections included in the refinement | 0.3231 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9898 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7032771.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. |
7032771.cif |
| 126429 | 2014-11-06 | cif/ Updating files of 7032770, 7032771 Original log message: Adding full bibliography for 7032770--7032771.cif. |
7032771.cif |
| 125126 | 2014-10-09 | cif/ Adding structures of 7032770, 7032771 via cif-deposit CGI script. |
7032771.cif |
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