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Information card for entry 4116259
Preview
| Coordinates | 4116259.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H45 Cl U |
|---|---|
| Calculated formula | C30 H45 Cl U |
| Title of publication | How Much Steric Crowding Is Possible in Tris(η5-pentamethylcyclopentadienyl) Complexes? Synthesis and Structure of (C5Me5)3UCl and (C5Me5)3UF1 |
| Authors of publication | William J. Evans; Gregory W. Nyce; Matthew A. Johnston; Joseph W. Ziller |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2000 |
| Journal volume | 122 |
| Pages of publication | 12019 - 12020 |
| a | 9.9903 ± 0.0003 Å |
| b | 9.9903 ± 0.0003 Å |
| c | 15.3902 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1330.25 ± 0.08 Å3 |
| Cell temperature | 158 ± 2 K |
| Ambient diffraction temperature | 158 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 176 |
| Hermann-Mauguin space group symbol | P 63/m |
| Hall space group symbol | -P 6c |
| Residual factor for all reflections | 0.056 |
| Residual factor for significantly intense reflections | 0.05 |
| Weighted residual factors for significantly intense reflections | 0.1215 |
| Weighted residual factors for all reflections included in the refinement | 0.1247 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.398 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178933 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/62. |
4116259.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 {}' |
4116259.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4116259.cif |
| 70840 | 2013-01-05 | cif/ Adding structures of 4116259 via cif-deposit CGI script. |
4116259.cif |
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