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Information card for entry 4105597
Preview
| Coordinates | 4105597.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C124 H124 Ce Li O4 Si4 |
|---|---|
| Calculated formula | C124 H124 Ce Li O4 Si4 |
| SMILES | [Ce]123456789%10%11%12%13%14([C]%15([Si](c%16ccccc%16)(c%16ccccc%16)c%16ccccc%16)=[CH]1[CH]2=[CH]3[CH]4=[C]5([Si](c1ccccc1)(c1ccccc1)c1ccccc1)[CH]6=[CH]7%15)[CH]1=[CH]8[CH]9=[CH]%10[C]%11([Si](c2ccccc2)(c2ccccc2)c2ccccc2)=[CH]%12[CH]%13=[C]1%14[Si](c1ccccc1)(c1ccccc1)c1ccccc1.[Li]12([O](C)CC[O]1C)[O](C)CC[O]2C.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C |
| Title of publication | Unprecedented Bending and Rearrangement of f-Element Sandwich Complexes Induced by Superbulky Cyclooctatetraenide Ligands |
| Authors of publication | Volker Lorenz; Benjamin M. Schmiege; Cristian G. Hrib; Joseph W. Ziller; Anja Edelmann; Steffen Blaurock; William J. Evans; Frank T. Edelmann |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2011 |
| Journal volume | 133 |
| Pages of publication | 1257 - 1259 |
| a | 14.375 ± 0.006 Å |
| b | 14.42 ± 0.006 Å |
| c | 28.45 ± 0.007 Å |
| α | 88.31 ± 0.03° |
| β | 82.44 ± 0.03° |
| γ | 63.69 ± 0.03° |
| Cell volume | 5238 ± 4 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 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 | 0.0537 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.0843 |
| Weighted residual factors for all reflections included in the refinement | 0.0886 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.945 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178801 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/55. |
4105597.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4105597.cif |
| 52356 | 2012-04-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4105597 via cif-deposit CGI script. |
4105597.cif |
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Users of the data should acknowledge the original authors of the
structural data.