Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2229983
Preview
Coordinates | 2229983.cif |
---|---|
Structure factors | 2229983.hkl |
Original IUCr paper | HTML |
Chemical name | Tetrakis(2,2'-bipyridine)di-μ~3~-hydroxido-bis(μ-2- oxidobezoato)tetracopper(II) dinitrate tetrahydrate |
---|---|
Formula | C54 H50 Cu4 N10 O18 |
Calculated formula | C54 H50 Cu4 N10 O18 |
SMILES | C1(=O)c2ccccc2[O]2[Cu]34([n]5ccccc5c5[n]3cccc5)[OH]([Cu]32([n]2ccccc2c2[n]3cccc2)O1)[Cu]12([n]3ccccc3c3[n]1cccc3)[O]1c3c(C(=O)O[Cu]51([n]1ccccc1c1[n]5cccc1)[OH]42)cccc3.N(=O)(=O)[O-].O.O.N(=O)(=O)[O-].O.O |
Title of publication | Tetrakis(2,2'-bipyridine)di-μ~3~-hydroxido-bis(μ-2-oxidobenzoato)tetracopper(II) dinitrate tetrahydrate |
Authors of publication | Feng, Miao; Gu, Chao; Mi, Huai-Feng; Hu, Tong-Liang |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 5 |
Pages of publication | m520 |
a | 10.28 ± 0.002 Å |
b | 11.777 ± 0.002 Å |
c | 12.276 ± 0.003 Å |
α | 113.66 ± 0.03° |
β | 95.19 ± 0.03° |
γ | 96.58 ± 0.03° |
Cell volume | 1337 ± 0.6 Å3 |
Cell temperature | 113.2 K |
Ambient diffraction temperature | 113.2 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 | 0.0596 |
Residual factor for significantly intense reflections | 0.0402 |
Weighted residual factors for significantly intense reflections | 0.0776 |
Weighted residual factors for all reflections included in the refinement | 0.0863 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2229983.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.