Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7055557
Preview
Coordinates | 7055557.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H20 Co I2 N2 |
---|---|
Calculated formula | C26 H20 Co I2 N2 |
SMILES | I[Co]1(I)[n]2c(C)cc(c3c2c2[n]1c(cc(c2cc3)c1ccccc1)C)c1ccccc1 |
Title of publication | Tetracoordinate Co(ii) complexes containing bathocuproine and single molecule magnetism |
Authors of publication | Smolko, Lukáš; Černák, Juraj; Dušek, Michal; Titiš, Ján; Boča, Roman |
Journal of publication | New J. Chem. |
Year of publication | 2016 |
Journal volume | 40 |
Journal issue | 8 |
Pages of publication | 6593 |
a | 12.7126 ± 0.0003 Å |
b | 23.7131 ± 0.0007 Å |
c | 8.0118 ± 0.0004 Å |
α | 90° |
β | 98.626 ± 0.003° |
γ | 90° |
Cell volume | 2387.88 ± 0.15 Å3 |
Cell temperature | 120 ± 0.1 K |
Ambient diffraction temperature | 120 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 | 0.0408 |
Residual factor for significantly intense reflections | 0.0301 |
Weighted residual factors for significantly intense reflections | 0.0779 |
Weighted residual factors for all reflections included in the refinement | 0.0866 |
Goodness-of-fit parameter for significantly intense reflections | 1.18 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.17 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/7055557.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.