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Information card for entry 4065360
Preview
| Coordinates | 4065360.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H35 Mo N O |
|---|---|
| Calculated formula | C28 H35 Mo N O |
| SMILES | C1[CH]2=[CH](c3ccccc3)[Mo]345612(Cc1cc(cc(c1)C)C)([c]1([c]3([c]4([c]5([c]61C)C)C)C)C)N=O |
| Title of publication | Intermolecular C‒H Activations of Hydrocarbons Initiated by Cp*M(NO)(CH2CMe3)(η3-CH2CHCHPh) Complexes (M = Mo, W) |
| Authors of publication | Baillie, Rhett A.; Man, Renee W. Y.; Shree, Monica V.; Chow, Catherine; Thibault, Michelle E.; McNeil, W. Stephen; Legzdins, Peter |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 22 |
| Pages of publication | 6201 |
| a | 8.569 ± 0.005 Å |
| b | 13.07 ± 0.005 Å |
| c | 22.268 ± 0.005 Å |
| α | 90° |
| β | 97.56 ± 0.005° |
| γ | 90° |
| Cell volume | 2472.3 ± 1.8 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0409 |
| Residual factor for significantly intense reflections | 0.0314 |
| Weighted residual factors for significantly intense reflections | 0.0763 |
| Weighted residual factors for all reflections included in the refinement | 0.0815 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178546 (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 4/06/53. |
4065360.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4065360.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4065360.cif |
| 33257 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4065354, 4065355, 4065356, 4065357, 4065358, 4065359, 4065360 via cif-deposit CGI script. |
4065360.cif |
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Users of the data should acknowledge the original authors of the
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