Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7056737
Preview
Coordinates | 7056737.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H33 Cu N6 O6 |
---|---|
Calculated formula | C33 H33 Cu N6 O6 |
Title of publication | Syntheses, crystal structures, DNA binding, DNA cleavage, molecular docking and DFT study of Cu(ii) complexes involving N2O4 donor azo Schiff base ligands |
Authors of publication | Banerjee, Saikat; Ghorai, Pravat; Brandão, Paula; Ghosh, Dipanjan; Bhuiya, Sutanwi; Chattopadhyay, Dhrubajyoti; Das, Suman; Saha, Amrita |
Journal of publication | New Journal of Chemistry |
Year of publication | 2018 |
Journal volume | 42 |
Journal issue | 1 |
Pages of publication | 246 |
a | 9.5695 ± 0.0011 Å |
b | 10.607 ± 0.001 Å |
c | 16.3461 ± 0.0015 Å |
α | 71.986 ± 0.004° |
β | 83.215 ± 0.005° |
γ | 85.146 ± 0.005° |
Cell volume | 1564.8 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1027 |
Residual factor for significantly intense reflections | 0.0582 |
Weighted residual factors for significantly intense reflections | 0.1351 |
Weighted residual factors for all reflections included in the refinement | 0.1572 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7056737.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.