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Information card for entry 4067302
Preview
| Coordinates | 4067302.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H41 Mo N5 O6 Ti |
|---|---|
| Calculated formula | C26 H41 Mo N5 O6 Ti |
| SMILES | C(#[O])[Mo](C#[O])(C#[O])(C#[O])(C#[O])C1N(C)C[N](C)(C)[Ti](=Nc2c(cccc2C(C)C)C(C)C)([NH](C)C)(N(C)C)[O]=1 |
| 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 | 10.1513 ± 0.0008 Å |
| b | 13.5008 ± 0.0011 Å |
| c | 15.0634 ± 0.0013 Å |
| α | 100.794 ± 0.004° |
| β | 108.827 ± 0.004° |
| γ | 103.517 ± 0.004° |
| Cell volume | 1820.8 ± 0.3 Å3 |
| Cell temperature | 180 K |
| Ambient diffraction temperature | 180 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0507 |
| Residual factor for significantly intense reflections | 0.0346 |
| Weighted residual factors for significantly intense reflections | 0.0862 |
| Weighted residual factors for all reflections included in the refinement | 0.0901 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| 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. |
4067302.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067302.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067302.cif |
| 34152 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067299, 4067300, 4067301, 4067302, 4067303, 4067304 via cif-deposit CGI script. |
4067302.cif |
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Users of the data should acknowledge the original authors of the
structural data.