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Information card for entry 4079447
Preview
| Coordinates | 4079447.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H40 U |
|---|---|
| Calculated formula | C26 H40 U |
| SMILES | [U]123456789%10([c]%11([c]1([c]2([c]3([c]4%11C)C)C)C)C)([c]1([c]8([c]7([c]6([c]51C)C)C)C)C)([CH2]=[CH]9C%10)CC=C |
| Title of publication | Synthesis and CO2 Insertion Reactivity of Allyluranium Metallocene Complexes |
| Authors of publication | Webster, Christopher L.; Ziller, Joseph W.; Evans, William J. |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 20 |
| Pages of publication | 7191 |
| a | 16.6441 ± 0.0006 Å |
| b | 17.5923 ± 0.0006 Å |
| c | 16.9473 ± 0.0006 Å |
| α | 90° |
| β | 109.863 ± 0.0004° |
| γ | 90° |
| Cell volume | 4667.1 ± 0.3 Å3 |
| Cell temperature | 88 ± 2 K |
| Ambient diffraction temperature | 88 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0247 |
| Residual factor for significantly intense reflections | 0.021 |
| Weighted residual factors for significantly intense reflections | 0.0502 |
| Weighted residual factors for all reflections included in the refinement | 0.0514 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178683 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/94. |
4079447.cif |
| 131992 | 2015-02-19 | cif/4/07/94/ (antanas@koala.ibt.lt) Removing extra 'glued' text from '_refine_diff_density_rms' tag value for CIF 4079447. |
4079447.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 {}' |
4079447.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4079447.cif |
| 72443 | 2013-01-21 | cif/ Adding structures of 4079447, 4079448, 4079449, 4079450 via cif-deposit CGI script. |
4079447.cif |
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Users of the data should acknowledge the original authors of the
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