Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4064165.html
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.