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Information card for entry 7056345
Preview
| Coordinates | 7056345.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H28 Fe2 N6 O5 |
|---|---|
| Calculated formula | C34 H28 Fe2 N6 O5 |
| Title of publication | Ferrocenyl Benzimidazole with Carboxylic and Nitro Anchors as Potential Sensitizers in Dye-Sensitized Solar Cells |
| Authors of publication | Yadav, Reena; SINGH, AMITA; Kociok-Kohn, Gabriele; Chauhan, Ratna; Kumar, Abhinav; Gosavi, Suresh W. |
| Journal of publication | New J. Chem. |
| Year of publication | 2017 |
| Journal volume | 41 |
| Journal issue | 15 |
| Pages of publication | 7312 - 7321 |
| a | 9.6685 ± 0.0004 Å |
| b | 9.6685 ± 0.0004 Å |
| c | 27.3428 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2213.56 ± 0.14 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150.01 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 152 |
| Hermann-Mauguin space group symbol | P 31 2 1 |
| Hall space group symbol | P 31 2" |
| Residual factor for all reflections | 0.1043 |
| Residual factor for significantly intense reflections | 0.0686 |
| Weighted residual factors for significantly intense reflections | 0.1579 |
| Weighted residual factors for all reflections included in the refinement | 0.1747 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7056345.cif |
| 301442 | 2025-08-04 | Updating journal pages, volumes and years from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis) |
7056345.cif |
| 198024 | 2017-06-21 | cif/ Adding structures of 7056345 via cif-deposit CGI script. |
7056345.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.