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Information card for entry 4067536
Preview
| Coordinates | 4067536.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H63 N2 O0.5 U |
|---|---|
| Calculated formula | C48 H63 N2 O0.5 U1.01 |
| Title of publication | Insertion Reactivity of CO2, PhNCO, Me3CC≡N, and Me3CN≡C with the Uranium−Alkynyl Bonds in (C5Me5)2U(C≡CPh)2 |
| Authors of publication | Evans, William J.; Walensky, Justin R.; Ziller, Joseph W. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 4 |
| Pages of publication | 945 |
| a | 10.2805 ± 0.0011 Å |
| b | 14.6471 ± 0.0015 Å |
| c | 15.5586 ± 0.0016 Å |
| α | 76.1631 ± 0.0013° |
| β | 87.8792 ± 0.0014° |
| γ | 73.2747 ± 0.0013° |
| Cell volume | 2177.3 ± 0.4 Å3 |
| Cell temperature | 148 ± 2 K |
| Ambient diffraction temperature | 148 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.048 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.1098 |
| Weighted residual factors for all reflections included in the refinement | 0.1134 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4067536.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 {}' |
4067536.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067536.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067536.cif |
| 34223 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067535, 4067536, 4067537, 4067538 via cif-deposit CGI script. |
4067536.cif |
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