Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4064166
Preview
| Coordinates | 4064166.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | In(O2N_py)CH2SiMe3 |
|---|---|
| Formula | C28 H37 In N2 O2 Si |
| Calculated formula | C28 H37 In N2 O2 Si |
| SMILES | [In]123(Oc4c(C[N]2(Cc2cc(cc(c2O1)C)C)Cc1[n]3cccc1)cc(cc4C)C)C[Si](C)(C)C |
| 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 | 30.138 ± 0.004 Å |
| b | 30.138 ± 0.004 Å |
| c | 17.795 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 13998 ± 4 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0552 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for all reflections | 0.0344 |
| Weighted residual factors for significantly intense reflections | 0.0303 |
| Weighted residual factors for all reflections included in the refinement | 0.0293 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1067 |
| 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. |
4064166.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064166.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064166.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. |
4064166.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.