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Information card for entry 4066362
Preview
| Coordinates | 4066362.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 1-Co |
|---|---|
| Formula | C22 H24 Cl2 Co N2 O2 |
| Calculated formula | C22 H24 Cl2 Co N2 O2 |
| SMILES | [Co]1(Cl)(Cl)[N]2C(COC=2c2ccccc2c2ccccc2C2OCC([N]1=2)(C)C)(C)C |
| Title of publication | Aryl−Oxazoline Chelates of First-Row Transition Metals: Structures of {κ-C,N-(o-C6H4)CMe2(COCH2CMe2N)}FeCl(py) and [(κ-C,N-(o-C6H4)CMe2(COCH2CMe2N)}Cr(μ-Cl)]2‡ |
| Authors of publication | Volpe, Emily C.; Manke, David R.; Bartholomew, Erika R.; Wolczanski, Peter T.; Lobkovsky, Emil B. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 24 |
| Pages of publication | 6642 |
| a | 15.555 ± 0.003 Å |
| b | 10.169 ± 0.002 Å |
| c | 28.108 ± 0.006 Å |
| α | 90° |
| β | 90.88 ± 0.03° |
| γ | 90° |
| Cell volume | 4445.6 ± 1.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.1215 |
| Residual factor for significantly intense reflections | 0.0532 |
| Weighted residual factors for significantly intense reflections | 0.1027 |
| Weighted residual factors for all reflections included in the refinement | 0.1143 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.979 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178555 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/63. |
4066362.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066362.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066362.cif |
| 33872 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066362, 4066363, 4066364, 4066365 via cif-deposit CGI script. |
4066362.cif |
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Users of the data should acknowledge the original authors of the
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