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Information card for entry 4065060
Preview
| Coordinates | 4065060.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H52 Cr N2 O |
|---|---|
| Calculated formula | C37 H52 Cr N2 O |
| Title of publication | Trianionic NCN3‒Pincer Complexes of Chromium in Four Oxidation States (CrII, CrIII, CrIV, CrV): Determination of the Active Catalyst in Selective 1-Alkene to 2-Alkene Isomerization |
| Authors of publication | McGowan, Kevin P.; Abboud, Khalil A.; Veige, Adam S. |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 18 |
| Pages of publication | 4949 |
| a | 34.092 ± 0.004 Å |
| b | 11.7102 ± 0.0014 Å |
| c | 17.247 ± 0.002 Å |
| α | 90° |
| β | 104.138 ± 0.002° |
| γ | 90° |
| Cell volume | 6676.9 ± 1.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0818 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.1049 |
| Weighted residual factors for all reflections included in the refinement | 0.1166 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.969 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178503 (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 4/06/50. |
4065060.cif |
| 114155 | 2014-05-22 | cif/ Updating files of 4065060 Original log message: Adding full bibliography for 4065060.cif. |
4065060.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4065060.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4065060.cif |
| 33147 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4065060 via cif-deposit CGI script. |
4065060.cif |
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Users of the data should acknowledge the original authors of the
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