Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7043738
Preview
Coordinates | 7043738.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H76 N18 Ni3 O29 |
---|---|
Calculated formula | C48 H72 N18 Ni3 O29 |
Title of publication | Synthetic ability of dinuclear mesocates containing 1,3-bis(diazinecarboxamide)benzene bridging ligands to form complexes of increased nuclearity. Crystal structures, magnetic properties and theoretical studies. |
Authors of publication | Palacios, Maria A.; Morlieras, Jessica; Herrera, Juan Manuel; Mota, Antonio J.; Brechin, Euan K.; Triki, Smail; Colacio, Enrique |
Journal of publication | Dalton Trans. |
Year of publication | 2017 |
a | 13.076 ± 0.003 Å |
b | 20.453 ± 0.004 Å |
c | 24.811 ± 0.005 Å |
α | 90° |
β | 96.72 ± 0.03° |
γ | 90° |
Cell volume | 6590 ± 2 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 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 | 0.1582 |
Residual factor for significantly intense reflections | 0.0935 |
Weighted residual factors for significantly intense reflections | 0.1697 |
Weighted residual factors for all reflections included in the refinement | 0.1894 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
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/7043738.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.