Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1517704
Preview
Coordinates | 1517704.cif |
---|
Formula | C28 H26 Cu N4 O9 |
---|---|
Calculated formula | C28 H26 Cu N4 O9 |
SMILES | [Cu]12(OC(=O)[C@@H](CC(=O)O)[C@H](C(=O)O)CC(=O)O)([n]3ccccc3c3[n]1cccc3)[n]1ccccc1c1[n]2cccc1.O |
Title of publication | Novel topological supramolecular architectures based on partially protonated butane-1,2,3,4-tetracarboxylato complexes: Synthesis, structures and magnetic properties |
Authors of publication | Hong-Lin Zhu; Jin-Li Qi; Jian-Li Lin; Wei Xu; Jiang Wu; Yue-Qing Zheng |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2013 |
Journal volume | 404 |
Pages of publication | 49 - 57 |
a | 10.883 ± 0.002 Å |
b | 11.419 ± 0.002 Å |
c | 12.549 ± 0.003 Å |
α | 63.59 ± 0.03° |
β | 88.3 ± 0.03° |
γ | 71.96 ± 0.03° |
Cell volume | 1317.3 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.04 |
Residual factor for significantly intense reflections | 0.0325 |
Weighted residual factors for significantly intense reflections | 0.0903 |
Weighted residual factors for all reflections included in the refinement | 0.1027 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
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/1517704.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.