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Information card for entry 7702937
Preview
| Coordinates | 7702937.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H28 Cl2 Cu N6 O8 |
|---|---|
| Calculated formula | C36 H28 Cl2 Cu N6 O8 |
| Title of publication | Copper-based redox shuttles supported by preorganized tetradentate ligands for dye-sensitized solar cells. |
| Authors of publication | Rodrigues, Roberta R.; Lee, Joseph M.; Taylor, Natalie S.; Cheema, Hammad; Chen, Lizhu; Fortenberry, Ryan C.; Delcamp, Jared H.; Jurss, Jonah W. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 2 |
| Pages of publication | 343 - 355 |
| a | 9.1754 ± 0.0005 Å |
| b | 13.2338 ± 0.0014 Å |
| c | 14.3608 ± 0.0014 Å |
| α | 91.0207 ± 0.0017° |
| β | 91.024 ± 0.002° |
| γ | 91.5876 ± 0.0016° |
| Cell volume | 1742.5 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 | 0.0402 |
| Residual factor for significantly intense reflections | 0.0324 |
| Weighted residual factors for significantly intense reflections | 0.0842 |
| Weighted residual factors for all reflections included in the refinement | 0.0887 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7702937.cif |
| 247726 | 2020-02-04 | cif/ Updating files of 7702937 Original log message: Adding full bibliography for 7702937.cif. |
7702937.cif |
| 244873 | 2019-12-03 | cif/ Adding structures of 7702937 via cif-deposit CGI script. |
7702937.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.