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Information card for entry 4066128
Preview
| Coordinates | 4066128.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H27 B Mo N6 O7 |
|---|---|
| Calculated formula | C24 H27 B Mo N6 O7 |
| SMILES | [BH]12n3ccc[n]3[Mo]34(C#[O])(C#[O])(C5([CH]3=[CH]4CCC5)OC(=O)O[C@@H]3C(C)(C)COC3=O)([n]3cccn13)[n]1cccn21 |
| Title of publication | Novel Substitutions of 1-Alkoxy- and 1-Arylsulfonyloxy-η-Allylmolybdenum Complexes. A Case for η-Alkenyl Carbene Complexes as Intermediates. |
| Authors of publication | Coombs, Thomas C.; Huang, Wenwei; Garnier-Amblard, Ethel C; Liebeskind, Lanny S. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 21 |
| Pages of publication | 5083 - 5097 |
| a | 7.908 ± 0.0006 Å |
| b | 15.9173 ± 0.0012 Å |
| c | 21.9238 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2759.6 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0191 |
| Residual factor for significantly intense reflections | 0.0186 |
| Weighted residual factors for significantly intense reflections | 0.0479 |
| Weighted residual factors for all reflections included in the refinement | 0.0481 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178553 (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 4/06/61. |
4066128.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066128.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066128.cif |
| 33796 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066128, 4066129, 4066130 via cif-deposit CGI script. |
4066128.cif |
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Users of the data should acknowledge the original authors of the
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