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Information card for entry 7035978
Preview
| Coordinates | 7035978.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Ti |
|---|---|
| Formula | C150 H156 N6 O12 Ti3 |
| Calculated formula | C150 H156 N6 O12 Ti3 |
| SMILES | c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C1(c2ccccc2)[C@@H]2CCC[N]32Cc2cc(cc(c2O[Ti]23(O[Ti]34([N]5([C@H](C(c6ccccc6)(c6ccccc6)O4)CCC5)Cc4cc(cc(c4O3)CN3CCC[C@H]3C(c3ccccc3)(c3ccccc3)O)C)O[Ti]34([N]5([C@H](C(c6ccccc6)(c6ccccc6)O4)CCC5)Cc4cc(cc(c4O3)CN3CCC[C@H]3C(c3ccccc3)(c3ccccc3)O)C)O2)O1)CN1CCC[C@H]1C(c1ccccc1)(c1ccccc1)O)C |
| Title of publication | Group 4 metal complexes of Trost's semi-crown ligand: synthesis, structural characterization and studies on the ring-opening polymerization of lactides and ε-caprolactone. |
| Authors of publication | Rajashekhar, Bijja; Roymuhury, Sagnik K.; Chakraborty, Debashis; Ramkumar, Venkatachalam |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 37 |
| Pages of publication | 16280 - 16293 |
| a | 19.172 ± 0.003 Å |
| b | 22.272 ± 0.003 Å |
| c | 30.035 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 12825 ± 3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0813 |
| Residual factor for significantly intense reflections | 0.0544 |
| Weighted residual factors for significantly intense reflections | 0.1332 |
| Weighted residual factors for all reflections included in the refinement | 0.1619 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 161612 (current) | 2015-10-09 | cif/ Updating files of 7035976, 7035977, 7035978 Original log message: Adding full bibliography for 7035976--7035978.cif. |
7035978.cif |
| 152607 | 2015-07-29 | cif/ Adding structures of 7035976, 7035977, 7035978 via cif-deposit CGI script. |
7035978.cif |
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