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Information card for entry 4064165
Preview
| Coordinates | 4064165.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | In(N2Ts_py)Cl(py) |
|---|---|
| Formula | C29 H33 Cl In N5 O4 S2 |
| Calculated formula | C29 H33 Cl In N5 O4 S2 |
| SMILES | [In]123(Cl)(N(S(=O)(=O)c4ccc(cc4)C)CC[N]2(CCN1S(=O)(=O)c1ccc(cc1)C)Cc1[n]3cccc1)[n]1ccccc1 |
| Title of publication | Sulfonamide, Phenolate, and Directing Ligand-Free Indium Initiators for the Ring-Opening Polymerization ofrac-Lactide |
| Authors of publication | Blake, Matthew P.; Schwarz, Andrew D.; Mountford, Philip |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 5 |
| Pages of publication | 1202 |
| a | 10.232 ± 0.002 Å |
| b | 12.396 ± 0.003 Å |
| c | 24.448 ± 0.005 Å |
| α | 90° |
| β | 101.69 ± 0.03° |
| γ | 90° |
| Cell volume | 3036.6 ± 1.2 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 7 |
| 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 | 0.0766 |
| Residual factor for significantly intense reflections | 0.0529 |
| Weighted residual factors for all reflections | 0.0633 |
| Weighted residual factors for significantly intense reflections | 0.05 |
| Weighted residual factors for all reflections included in the refinement | 0.0473 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4064165.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064165.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064165.cif |
| 32806 | 2012-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4064159, 4064160, 4064161, 4064162, 4064163, 4064164, 4064165, 4064166 via cif-deposit CGI script. |
4064165.cif |
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