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Information card for entry 4107952
Preview
| Coordinates | 4107952.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H43 Y |
|---|---|
| Calculated formula | C30 H43 Y |
| SMILES | [Y]123456789([c]%12([c]4([c]3([c]2([c]1%12C)C)C)C)CC1(C(=C(C(=C1C)C)C)C9)C)[c]1([c]5([c]6([c]7([c]81C)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 | 9.2799 ± 0.001 Å |
| b | 11.1103 ± 0.0012 Å |
| c | 12.6823 ± 0.0014 Å |
| α | 83.277 ± 0.002° |
| β | 78.81 ± 0.002° |
| γ | 83.363 ± 0.002° |
| Cell volume | 1268.1 ± 0.2 Å3 |
| Cell temperature | 163 ± 2 K |
| Ambient diffraction temperature | 163 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0304 |
| Residual factor for significantly intense reflections | 0.0256 |
| Weighted residual factors for significantly intense reflections | 0.0635 |
| Weighted residual factors for all reflections included in the refinement | 0.0656 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 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. |
4107952.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
4107952.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4107952.cif |
| 56279 | 2012-05-10 | cif/ Adding structures of 4107952 via cif-deposit CGI script. |
4107952.cif |
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Users of the data should acknowledge the original authors of the
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