Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4081292
Preview
Coordinates | 4081292.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H20 N8 O |
---|---|
Calculated formula | C26 H20 N8 O |
SMILES | n1(nccc1)C(n1nccc1)c1cccc2c1oc1c(C(n3nccc3)n3nccc3)cccc21 |
Title of publication | Bimetallic Complexes for Enhancing Catalyst Efficiency: Probing the Relationship between Activity and Intermetallic Distance |
Authors of publication | Timerbulatova, Marina G.; Gatus, Mark R. D.; Vuong, Khuong Q.; Bhadbhade, Mohan; Algarra, Andr G.; Macgregor, Stuart A.; Messerle, Barbara A. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 18 |
Pages of publication | 5071 |
a | 7.8236 ± 0.0003 Å |
b | 11.1607 ± 0.0004 Å |
c | 13.5102 ± 0.0006 Å |
α | 76.196 ± 0.002° |
β | 79.146 ± 0.002° |
γ | 72.524 ± 0.001° |
Cell volume | 1084.02 ± 0.08 Å3 |
Cell temperature | 152 ± 2 K |
Ambient diffraction temperature | 152 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0391 |
Residual factor for significantly intense reflections | 0.0333 |
Weighted residual factors for significantly intense reflections | 0.0855 |
Weighted residual factors for all reflections included in the refinement | 0.0903 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
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/4081292.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.