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Information card for entry 4067300
Preview
| Coordinates | 4067300.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H31 Cl2 Mo N3 O3 Ti |
|---|---|
| Calculated formula | C19 H31 Cl2 Mo N3 O3 Ti |
| SMILES | C(#[O])[Mo]12345(C#[O])(C#[O])[c]6([cH]1[cH]2[cH]3[c]4([c]56N=[Ti]([NH](C)C)([NH](C)C)(Cl)Cl)C(C)C)C(C)C |
| Title of publication | Imido−Titanium/Molybdenum Heterobimetallic Systems. Switching from η6-Arene to Fischer-Type Aminocarbene Complexes by Tuning Reactivity Conditions |
| Authors of publication | Lorber, Christian; Vendier, Laure |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 5 |
| Pages of publication | 1127 |
| a | 10.2058 ± 0.0003 Å |
| b | 11.2671 ± 0.0003 Å |
| c | 12.201 ± 0.0004 Å |
| α | 92.43 ± 0.002° |
| β | 108.638 ± 0.001° |
| γ | 108.186 ± 0.001° |
| Cell volume | 1247.16 ± 0.07 Å3 |
| Cell temperature | 180 K |
| Ambient diffraction temperature | 180 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0475 |
| Residual factor for significantly intense reflections | 0.0314 |
| Weighted residual factors for significantly intense reflections | 0.0651 |
| Weighted residual factors for all reflections included in the refinement | 0.0705 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178564 (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 4/06/73. |
4067300.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067300.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067300.cif |
| 34152 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067299, 4067300, 4067301, 4067302, 4067303, 4067304 via cif-deposit CGI script. |
4067300.cif |
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Users of the data should acknowledge the original authors of the
structural data.