Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1512755
Preview
Coordinates | 1512755.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H22 Cl2 N2 Ni O8 |
---|---|
Calculated formula | C20 H22 Cl2 N2 Ni O8 |
SMILES | [Ni]1234(Cl)[O]5CC([OH]2)C[O]1c1c(C=[N]4CC(O)C[N]3=Cc2c5cccc2)cccc1.Cl(=O)(=O)(=O)[O-] |
Title of publication | Nickel(II) complexes with the macrocyclic schiff base ligand: Synthesis, spectroscopic studies, electrochemical behaviours and 1D supramolecular structure |
Authors of publication | Seyed Amir Zarei; AliAkbar Khandar; Masomeh Khatamian; Seyed Abolfazl Hosseini-Yazdi; Isabelle Dechamps; Emmanuel Guillon; Mohammad Piltan |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2013 |
Journal volume | 394 |
Pages of publication | 348 - 352 |
a | 10.4237 ± 0.0013 Å |
b | 31.98 ± 0.006 Å |
c | 6.6452 ± 0.001 Å |
α | 90° |
β | 97.858 ± 0.011° |
γ | 90° |
Cell volume | 2194.4 ± 0.6 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0761 |
Residual factor for significantly intense reflections | 0.0341 |
Weighted residual factors for significantly intense reflections | 0.0666 |
Weighted residual factors for all reflections included in the refinement | 0.0704 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.813 |
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/1512755.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.