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Information card for entry 4107953
Preview
| Coordinates | 4107953.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H52 Y2 |
|---|---|
| Calculated formula | C38 H52 Y2 |
| SMILES | [c]12([c]3([c]4([c]5([c]1(C)[Y]16782345([c]2([c]8([c]7([c]6([c]12C)C)C)C)C)[C]12=[CH]3[CH]4=[CH]5[CH]6=[CH]7[CH]8=[CH]1[Y]19%10%112345678[c]2([c]1([c]9([c]%10([c]%112C)C)C)C)C)C)C)C)C |
| Title of publication | Reductive Reactivity of the Organolanthanide Hydrides, [(C5Me5)2LnH]x, Leads to an sa-Allyl Cyclopentadienyl (η5-C5Me4CH2-C5Me4CH2-η3)2- and Trianionic Cyclooctatetraenyl (C8H7)3- Ligands |
| Authors of publication | William J. Evans; Benjamin M. Schmiege; Sara E. Lorenz; Kevin A. Miller; Timothy M. Champagne; Joseph W. Ziller; Antonio G. DiPasquale; Arnold L. Rheingold |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2008 |
| Journal volume | 130 |
| Pages of publication | 8555 - 8563 |
| a | 8.42 ± 0.003 Å |
| b | 16.807 ± 0.005 Å |
| c | 24.239 ± 0.008 Å |
| α | 90° |
| β | 93.001 ± 0.005° |
| γ | 90° |
| Cell volume | 3425 ± 2 Å3 |
| Cell temperature | 208 ± 2 K |
| Ambient diffraction temperature | 208 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.1052 |
| Residual factor for significantly intense reflections | 0.0524 |
| Weighted residual factors for significantly intense reflections | 0.1109 |
| Weighted residual factors for all reflections included in the refinement | 0.1285 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178825 (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 4/10/79. |
4107953.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4107953.cif |
| 56280 | 2012-05-10 | cif/ Adding structures of 4107953 via cif-deposit CGI script. |
4107953.cif |
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Users of the data should acknowledge the original authors of the
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