Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4073401
Preview
Coordinates | 4073401.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H43 N2 O Sc Si2 |
---|---|
Calculated formula | C25 H43 N2 O Sc Si2 |
SMILES | [Sc]1([N](=Cc2n1ccc2)c1c(cccc1C)C)([O]1CCCC1)(C[Si](C)(C)C)C[Si](C)(C)C |
Title of publication | Pyrrolide-Supported Lanthanide Alkyl Complexes. Influence of Ligands on Molecular Structure and Catalytic Activity toward Isoprene Polymerization |
Authors of publication | Yang, Yi; Liu, Bo; Lv, Kui; Gao, Wei; Cui, Dongmei; Chen, Xuesi; Jing, Xiabin |
Journal of publication | Organometallics |
Year of publication | 2007 |
Journal volume | 26 |
Journal issue | 18 |
Pages of publication | 4575 |
a | 11.5805 ± 0.0008 Å |
b | 14.0152 ± 0.001 Å |
c | 17.7458 ± 0.0013 Å |
α | 90° |
β | 90.508 ± 0.001° |
γ | 90° |
Cell volume | 2880.1 ± 0.4 Å3 |
Cell temperature | 187 ± 2 K |
Ambient diffraction temperature | 187 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0563 |
Residual factor for significantly intense reflections | 0.0416 |
Weighted residual factors for significantly intense reflections | 0.1032 |
Weighted residual factors for all reflections included in the refinement | 0.1114 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
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/4073401.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.