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Information card for entry 4342037
Preview
| Coordinates | 4342037.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C52 H102 Fe4 N12 O51 Th2 |
|---|---|
| Calculated formula | C52 H102 Fe4 N12 O51 Th2 |
| Title of publication | Interplay of Condensation and Chelation in Binary and Ternary Th(IV) Systems. |
| Authors of publication | Unruh, Daniel K.; de Groot, Joshua; Fairley, Melissa; Libo, Anna; Miller, Samuel; Forbes, Tori Z. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 4 |
| Pages of publication | 1395 - 1404 |
| a | 10.0478 ± 0.0019 Å |
| b | 11.179 ± 0.0016 Å |
| c | 19.543 ± 0.003 Å |
| α | 105.371 ± 0.005° |
| β | 90.295 ± 0.006° |
| γ | 106.281 ± 0.005° |
| Cell volume | 2024.3 ± 0.6 Å3 |
| Cell temperature | 210 ± 2 K |
| Ambient diffraction temperature | 210 ± 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 | 0.0895 |
| Residual factor for significantly intense reflections | 0.0503 |
| Weighted residual factors for significantly intense reflections | 0.0976 |
| Weighted residual factors for all reflections included in the refinement | 0.1134 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4342037.cif |
| 179523 | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/20. |
4342037.cif |
| 132792 | 2015-03-04 | cif/ Updating files of 4342033, 4342034, 4342035, 4342036, 4342037 Original log message: Adding full bibliography for 4342033--4342037.cif. |
4342037.cif |
| 129774 | 2015-01-17 | cif/ Adding structures of 4342037 via cif-deposit CGI script. |
4342037.cif |
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Users of the data should acknowledge the original authors of the
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