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Information card for entry 7032840
Preview
| Coordinates | 7032840.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | complex_2_iodide |
|---|---|
| Chemical name | iodo(eta-5-pentamethylcyclopentadienyl) (eta-8-(bis{triisopropylsilyl}cyclooctatetraene))thorium(IV) |
| Formula | C36 H63 I Si2 Th |
| Calculated formula | C36 H63 I Si2 Th |
| SMILES | [Th]123456789%10%11([C]%12(=[CH]1[CH]2=[C]3([Si](C(C)C)(C(C)C)C(C)C)[CH]4=[CH]5[CH]6=[CH]7%12)[Si](C(C)C)(C(C)C)C(C)C)[c]1([c]8([c]9([c]%10([c]%111C)C)C)C)C.[I-] |
| Title of publication | Mixed sandwich thorium complexes incorporating bis(tri-isopropylsilyl)cyclooctatetraenyl and pentamethylcyclopentadienyl ligands: synthesis, structure and reactivity. |
| Authors of publication | Button, Zoë E; Higgins, Jessica A.; Suvova, Markéta; Cloke, F Geoffrey N; Roe, S. Mark |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 6 |
| Pages of publication | 2588 - 2596 |
| a | 8.705 ± 0.0004 Å |
| b | 12.5835 ± 0.0006 Å |
| c | 18.14 ± 0.0008 Å |
| α | 89.126 ± 0.002° |
| β | 83.109 ± 0.002° |
| γ | 71.906 ± 0.003° |
| Cell volume | 1874.63 ± 0.15 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0533 |
| Residual factor for significantly intense reflections | 0.0414 |
| Weighted residual factors for significantly intense reflections | 0.0975 |
| Weighted residual factors for all reflections included in the refinement | 0.1026 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180034 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/28. |
7032840.cif |
| 133341 | 2015-03-06 | cif/ Updating files of 7032839, 7032840, 7032841, 7032842, 7032843, 7032844 Original log message: Adding full bibliography for 7032839--7032844.cif. |
7032840.cif |
| 125574 | 2014-10-21 | cif/ Adding structures of 7032839, 7032840, 7032841, 7032842, 7032843, 7032844 via cif-deposit CGI script. |
7032840.cif |
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