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Information card for entry 4067701
Preview
| Coordinates | 4067701.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H59 Cl N2 O4 Ti |
|---|---|
| Calculated formula | C38 H59 Cl N2 O4 Ti |
| SMILES | C(C)(C)O[Ti]12(=C3N(c4c(c(cc(c4)C(C)(C)C)C(C)(C)C)O1)CCN3c1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O2)([O]1CCCC1)Cl |
| Title of publication | Synthesis and Structural Characterization of a Novel Family of Titanium Complexes Bearing a Tridentate Bis-phenolate-N-heterocyclic Carbene Dianionic Ligand and Their Use in the Controlled ROP ofrac-Lactide |
| Authors of publication | Romain, Charles; Brelot, Lydia; Bellemin-Laponnaz, Stéphane; Dagorne, Samuel |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 5 |
| Pages of publication | 1191 |
| a | 14.0186 ± 0.0006 Å |
| b | 16.1746 ± 0.0007 Å |
| c | 17.1108 ± 0.0008 Å |
| α | 90° |
| β | 98.816 ± 0.001° |
| γ | 90° |
| Cell volume | 3834 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0952 |
| Residual factor for significantly intense reflections | 0.0645 |
| Weighted residual factors for significantly intense reflections | 0.1561 |
| Weighted residual factors for all reflections included in the refinement | 0.1757 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4067701.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067701.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067701.cif |
| 34270 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067699, 4067700, 4067701, 4067702, 4067703 via cif-deposit CGI script. |
4067701.cif |
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Users of the data should acknowledge the original authors of the
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