Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7245425
Preview
Coordinates | 7245425.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H23 Cl2 N5 O7 Zn2 |
---|---|
Calculated formula | C31 H23 Cl2 N5 O7 Zn2 |
Title of publication | On the importance of π-stacking interactions in Zn and Cu complexes bearing pyridine-2,6-dicarboxylic acid N-oxide and N-donor auxiliary ligands |
Authors of publication | Bazargan, Maryam; Mirzaei, Masoud; Hamid, Abdul Samad; Kafshdar, Zahra Heydaralizadeh; Ziaekhodadadian, Hoda; Mague, Joel T.; Momenzadeh, Elham; Gil, Diego Mauricio; Gomila, Rosa Maria; Frontera, Antonio |
Journal of publication | CrystEngComm |
Year of publication | 2022 |
a | 18.8851 ± 0.0018 Å |
b | 20.5134 ± 0.0019 Å |
c | 31.983 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 12390 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 70 |
Hermann-Mauguin space group symbol | F d d d :2 |
Hall space group symbol | -F 2uv 2vw |
Residual factor for all reflections | 0.0334 |
Residual factor for significantly intense reflections | 0.0285 |
Weighted residual factors for significantly intense reflections | 0.0791 |
Weighted residual factors for all reflections included in the refinement | 0.0813 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | Mo–Kα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
277606 (current) | 2022-09-03 | cif/ Adding structures of 7245425, 7245426, 7245427 via cif-deposit CGI script. |
7245425.cif |
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.