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Information card for entry 7706471
Preview
| Coordinates | 7706471.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C42 H70 Fe O4 |
|---|---|
| Calculated formula | C42 H70 Fe O4 |
| SMILES | [Fe](OC(c1cc(cc(c1)C)C)(C(C)(C)C)C(C)(C)C)([O]1CCCC1)([O]1CCCC1)OC(C(C)(C)C)(C(C)(C)C)c1cc(C)cc(C)c1 |
| Title of publication | Synthesis, characterization, and alkoxide transfer reactivity of dimeric Tl<sub>2</sub>(OR)<sub>2</sub> complexes. |
| Authors of publication | Grass, Amanda; Kulathungage, Lakshani Wathsala; Wannipurage, Duleeka; Yousif, Maryam; Ward, Cassandra L.; Groysman, Stanislav |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2021 |
| Journal volume | 50 |
| Journal issue | 7 |
| Pages of publication | 2501 - 2509 |
| a | 10.4095 ± 0.0005 Å |
| b | 14.989 ± 0.0007 Å |
| c | 25.9262 ± 0.0011 Å |
| α | 90° |
| β | 96.89 ± 0.002° |
| γ | 90° |
| Cell volume | 4016 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.107 |
| Residual factor for significantly intense reflections | 0.0516 |
| Weighted residual factors for significantly intense reflections | 0.091 |
| Weighted residual factors for all reflections included in the refinement | 0.1063 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7706471.cif |
| 262658 | 2021-03-05 | cif/ Updating files of 7706467, 7706468, 7706469, 7706470, 7706471, 7706472, 7706473, 7706474 Original log message: Adding full bibliography for 7706467--7706474.cif. |
7706471.cif |
| 261133 | 2021-01-22 | cif/ Adding structures of 7706467, 7706468, 7706469, 7706470, 7706471, 7706472, 7706473, 7706474 via cif-deposit CGI script. |
7706471.cif |
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Users of the data should acknowledge the original authors of the
structural data.