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Information card for entry 4073181
Preview
| Coordinates | 4073181.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50.62 H74.28 Cr Li N3 O3 |
|---|---|
| Calculated formula | C46 H69 Cr Li N3 O3 |
| SMILES | [Cr]12([N](c3c(cccc3C(C)C)C(C)C)=C(C)c3[n]1c(ccc3)C(=C)N2c1c(cccc1C(C)C)C(C)C)C.[Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1 |
| Title of publication | Reactivity of Chromium Complexes of a Bis(imino)pyridine Ligand: Highly Active Ethylene Polymerization Catalysts Carrying the Metal in a Formally Low Oxidation State |
| Authors of publication | Vidyaratne, Indu; Scott, Jennifer; Gambarotta, Sandro; Duchateau, Robbert |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 13 |
| Pages of publication | 3201 |
| a | 13.217 ± 0.014 Å |
| b | 17.7 ± 0.02 Å |
| c | 22.278 ± 0.012 Å |
| α | 90° |
| β | 95.46 ± 0.08° |
| γ | 90° |
| Cell volume | 5188 ± 9 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0922 |
| Residual factor for significantly intense reflections | 0.0588 |
| Weighted residual factors for significantly intense reflections | 0.1426 |
| Weighted residual factors for all reflections included in the refinement | 0.158 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178620 (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 4/07/31. |
4073181.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 {}' |
4073181.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073181.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073181.cif |
| 46206 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073178, 4073179, 4073180, 4073181, 4073182, 4073183, 4073184 via cif-deposit CGI script. |
4073181.cif |
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Users of the data should acknowledge the original authors of the
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