Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1558273
Preview
Coordinates | 1558273.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30.5 H58 N2 O4 Ti |
---|---|
Calculated formula | C30.5 H57.5 N2 O4 Ti |
SMILES | [Ti]12([N](CC[N]1(C)C)=Cc1c(c(C(C)(C)C)cc(c1)C(C)(C)C)O2)(OC(C)C)(OC(C)C)OC(C)C.CCCCC |
Title of publication | Redox-switchable ring-opening polymerization by tridentate ONN-type titanium and zirconium catalysts |
Authors of publication | Doerr, Alicia M.; Burroughs, Justin M.; Legaux, Nicholas M.; Long, Brian K. |
Journal of publication | Catalysis Science & Technology |
Year of publication | 2020 |
Journal volume | 10 |
Journal issue | 19 |
Pages of publication | 6501 - 6510 |
a | 26.1034 ± 0.0016 Å |
b | 13.6068 ± 0.0008 Å |
c | 18.7389 ± 0.0011 Å |
α | 90° |
β | 90.427 ± 0.002° |
γ | 90° |
Cell volume | 6655.6 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0744 |
Residual factor for significantly intense reflections | 0.0656 |
Weighted residual factors for significantly intense reflections | 0.1482 |
Weighted residual factors for all reflections included in the refinement | 0.1522 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.185 |
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/1558273.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.