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Information card for entry 4067776
Preview
| Coordinates | 4067776.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H41 N O2 Si W |
|---|---|
| Calculated formula | C36 H41 N O2 Si W |
| SMILES | [W]12345([N](=C1CC)[Si](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)(C#[O])(C#[O])[c]1([c]2([c]3([c]4([c]51C)C)C)C)C |
| Title of publication | Synthesis and Characterization of κ2C,N-N-Silyliminoacyl Tungsten Complexes Cp*(CO)2W{κ2C,N-C(R)═NSiR′3} [R = Me, Et,i-Pr,t-Bu; R′3= (p-Tol)2Me, (p-Tol)3, Et3; Cp* = η5-C5Me5]: Thermally Induced Carbon−Carbon Bond Cleavage of Their Iminoacyl Ligands |
| Authors of publication | Suzuki, Eiji; Komuro, Takashi; Kanno, Yuto; Okazaki, Masaaki; Tobita, Hiromi |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 7 |
| Pages of publication | 1839 |
| a | 9.0675 ± 0.0003 Å |
| b | 14.7448 ± 0.0004 Å |
| c | 24.3446 ± 0.0008 Å |
| α | 90° |
| β | 91.9946 ± 0.001° |
| γ | 90° |
| Cell volume | 3252.86 ± 0.18 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0585 |
| Residual factor for significantly intense reflections | 0.0505 |
| Weighted residual factors for significantly intense reflections | 0.1397 |
| Weighted residual factors for all reflections included in the refinement | 0.1582 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.132 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178568 (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 4/06/77. |
4067776.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067776.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067776.cif |
| 34289 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067776, 4067777 via cif-deposit CGI script. |
4067776.cif |
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