Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2234955
Preview
Coordinates | 2234955.cif |
---|---|
Structure factors | 2234955.hkl |
Original IUCr paper | HTML |
Chemical name | (2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>'){<i>N</i>-[(2-oxidonaphthalen-1-yl- κ<i>O</i>)methylidene]-<i>L</i>-valinato-κ<i>O</i>}copper(II) trihydrate |
---|---|
Formula | C26 H29 Cu N3 O6 |
Calculated formula | C26 H29 Cu N3 O6 |
SMILES | [Cu]123([N](C(C(=O)O2)C(C)C)=Cc2c(O3)ccc3c2cccc3)[n]2ccccc2c2[n]1cccc2.O.O.O |
Title of publication | (2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>'){<i>N</i>-[(2-oxidonaphthalen-1-yl-κ<i>O</i>)methylidene]-<small>L</small>-valinato-κ<i>O</i>}copper(II) trihydrate |
Authors of publication | Zuo, Jian; Bi, Caifeng; Fan, Yuhua; Zhang, Nan; Zhang, Pengfei |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 6 |
Pages of publication | m792 |
a | 9.295 ± 0.001 Å |
b | 9.7861 ± 0.0011 Å |
c | 14.3819 ± 0.0015 Å |
α | 79.971 ± 0.001° |
β | 74.718 ± 0.001° |
γ | 85.745 ± 0.002° |
Cell volume | 1242.1 ± 0.2 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.0626 |
Residual factor for significantly intense reflections | 0.0391 |
Weighted residual factors for significantly intense reflections | 0.0838 |
Weighted residual factors for all reflections included in the refinement | 0.0969 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
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/2234955.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.