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Information card for entry 4067304
Preview
| Coordinates | 4067304.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H43 Mo N5 O6 Ti |
|---|---|
| Calculated formula | C26 H43 Mo N5 O6 Ti |
| SMILES | C(N(C)C)(=[O][Ti](=Nc1c(cccc1C(C)C)C(C)C)(N(C)C)([NH](C)C)[NH](C)C)[Mo](C#[O])(C#[O])(C#[O])(C#[O])C#[O] |
| 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 | 10.6408 ± 0.0005 Å |
| b | 25.6907 ± 0.001 Å |
| c | 13.1933 ± 0.0007 Å |
| α | 90° |
| β | 113.001 ± 0.006° |
| γ | 90° |
| Cell volume | 3319.9 ± 0.3 Å3 |
| Cell temperature | 180 K |
| Ambient diffraction temperature | 180 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 | 0.0479 |
| Residual factor for significantly intense reflections | 0.0292 |
| Weighted residual factors for significantly intense reflections | 0.0658 |
| Weighted residual factors for all reflections included in the refinement | 0.0698 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| 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. |
4067304.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067304.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067304.cif |
| 34152 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067299, 4067300, 4067301, 4067302, 4067303, 4067304 via cif-deposit CGI script. |
4067304.cif |
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Users of the data should acknowledge the original authors of the
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