Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4507498
Preview
Coordinates | 4507498.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H34 Co N8 O14 |
---|---|
Calculated formula | C44 H34 Co N8 O14 |
SMILES | c1c2c(C=[N]3[Co]45(O2)([O]=C(c2ccccc2)N3)[N](=Cc2cc(ccc2O4)/C=N/NC(=O)c2ccccc2)NC(c2ccccc2)=[O]5)cc(c1)/C=N/NC(=O)c1ccccc1.O.O.O.O.O.O.O.O |
Title of publication | Solid-State Coordinative Behavior of a New Asymmetrical Bis-hydrazone Ligand Containing Two Different Binding Pockets |
Authors of publication | Rodríguez-Hermida, Sabina; Lago, Ana B.; Cañadillas-Delgado, Laura; Carballo, Rosa; Vázquez-López, Ezequiel M. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2013 |
Journal volume | 13 |
Journal issue | 3 |
Pages of publication | 1193 |
a | 16.211 ± 0.003 Å |
b | 21.047 ± 0.004 Å |
c | 16.576 ± 0.004 Å |
α | 90° |
β | 107.906 ± 0.005° |
γ | 90° |
Cell volume | 5381.7 ± 1.9 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1662 |
Residual factor for significantly intense reflections | 0.0732 |
Weighted residual factors for significantly intense reflections | 0.1713 |
Weighted residual factors for all reflections included in the refinement | 0.2037 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.804 |
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/4507498.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.