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Information card for entry 7715516
Preview
| Coordinates | 7715516.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H38 Fe Ni O6 P2 S2 |
|---|---|
| Calculated formula | C46 H38 Fe Ni O6 P2 S2 |
| SMILES | [Fe]123456789[c]%10([cH]4[cH]3[cH]2[cH]1%10)[P]([Ni]([P]([c]19[cH]5[cH]6[cH]7[cH]81)(c1ccccc1)c1ccccc1)(SC1=C(OCC)C(=O)C1=O)SC1=C(OCC)C(=O)C1=O)(c1ccccc1)c1ccccc1 |
| Title of publication | 1,1'-Bis-(diphenylphosphino)ferrocene appended d<sup>8</sup>- and d<sup>10</sup>-configuration based thiosquarates: the molecular and electronic configurational insights into their sensitization and co-sensitization properties for dye sensitized solar cells. |
| Authors of publication | Kushwaha, Aparna; Srivastava, Devyani; Prakash, Om; Kociok-Köhn, Gabriele; Gosavi, Suresh W.; Chauhan, Ratna; Muddassir, Mohd; Kumar, Abhinav |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2024 |
| Journal volume | 53 |
| Journal issue | 15 |
| Pages of publication | 6818 - 6829 |
| a | 9.1465 ± 0.0003 Å |
| b | 43.3899 ± 0.0011 Å |
| c | 11.3765 ± 0.0006 Å |
| α | 90° |
| β | 100.294 ± 0.004° |
| γ | 90° |
| Cell volume | 4442.3 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 7 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | I 1 a 1 |
| Hall space group symbol | I -2ya |
| Residual factor for all reflections | 0.0583 |
| Residual factor for significantly intense reflections | 0.0483 |
| Weighted residual factors for significantly intense reflections | 0.1208 |
| Weighted residual factors for all reflections included in the refinement | 0.1317 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291654 (current) | 2024-05-05 | cif/ Updating files of 7715516 Original log message: Adding full bibliography for 7715516.cif. |
7715516.cif |
| 290631 | 2024-03-26 | cif/ Adding structures of 7715516 via cif-deposit CGI script. |
7715516.cif |
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