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Information card for entry 7044874
Preview
| Coordinates | 7044874.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (TerphCS2)4Th(THF) |
|---|---|
| Chemical name | Tetrakis[2,6-bis(4-tert-butylphenyl)phenyldithiocarboxylato]-(tetrahydrofuran) thorium(IV) |
| Formula | C116 H132 O2 S8 Th |
| Calculated formula | C116 H132 O2 S8 Th |
| SMILES | [Th]1234([S]=C(S3)c3c(c5ccc(cc5)C(C)(C)C)cccc3c3ccc(cc3)C(C)(C)C)([S]=C(S1)c1c(c3ccc(cc3)C(C)(C)C)cccc1c1ccc(cc1)C(C)(C)C)([S]=C(S2)c1c(c2ccc(cc2)C(C)(C)C)cccc1c1ccc(cc1)C(C)(C)C)([S]=C(S4)c1c(c2ccc(cc2)C(C)(C)C)cccc1c1ccc(cc1)C(C)(C)C)[O]1CCCC1.C1COCC1 |
| Title of publication | f-Block complexes of a m-terphenyl dithiocarboxylate ligand. |
| Authors of publication | Boreen, Michael A.; Parker, Bernard F.; Hohloch, Stephan; Skeel, Brighton A.; Arnold, John |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 1 |
| Pages of publication | 96 - 104 |
| a | 18.3098 ± 0.001 Å |
| b | 18.5236 ± 0.0011 Å |
| c | 19.3377 ± 0.0011 Å |
| α | 74.181 ± 0.003° |
| β | 74.607 ± 0.003° |
| γ | 63.541 ± 0.003° |
| Cell volume | 5569.8 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0434 |
| Residual factor for significantly intense reflections | 0.0379 |
| Weighted residual factors for significantly intense reflections | 0.0935 |
| Weighted residual factors for all reflections included in the refinement | 0.0966 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 229385 (current) | 2019-11-17 | cif/ Updating files of 7044871, 7044872, 7044873, 7044874, 7044875 Original log message: Adding full bibliography for 7044871--7044875.cif. |
7044874.cif |
| 203661 | 2017-11-28 | cif/ Adding structures of 7044871, 7044872, 7044873, 7044874, 7044875 via cif-deposit CGI script. |
7044874.cif |
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Users of the data should acknowledge the original authors of the
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