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Information card for entry 7239567
Preview
| Coordinates | 7239567.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H16 I N |
|---|---|
| Calculated formula | C12 H16 I N |
| Title of publication | A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells |
| Authors of publication | Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme |
| Journal of publication | J. Mater. Chem. A |
| Year of publication | 2014 |
| Journal volume | 2 |
| Journal issue | 11 |
| Pages of publication | 4055 |
| a | 6.944 ± 0.002 Å |
| b | 11.434 ± 0.004 Å |
| c | 15.743 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1250 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0164 |
| Residual factor for significantly intense reflections | 0.0151 |
| Weighted residual factors for significantly intense reflections | 0.0378 |
| Weighted residual factors for all reflections included in the refinement | 0.0385 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.623 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7239567.cif |
| 244775 | 2019-11-28 | cif/ Adding structures of 7239567, 7239568, 7239569, 7239570, 7239571, 7239572, 7239573, 7239574, 7239575, 7239576, 7239577, 7239578 via cif-deposit CGI script. |
7239567.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.