Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2212976
Preview
Coordinates | 2212976.cif |
---|---|
Structure factors | 2212976.hkl |
Original IUCr paper | HTML |
Chemical name | [2,5-Dimethyl-N-(2-pyridylmethyl)aniline-κ^2^N,N']bis(triphenylphosphine- κP)copper(I) perchlorate |
---|---|
Formula | C50 H44 Cl Cu N2 O4 P2 |
Calculated formula | C50 H44 Cl Cu N2 O4 P2 |
SMILES | [Cu]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[n]2ccccc2C=[N]1c1cc(ccc1C)C.Cl(=O)(=O)(=O)[O-] |
Title of publication | [2,5-Dimethyl-<i>N</i>-(2-pyridylmethyl)aniline-κ^2^<i>N</i>,<i>N</i>']bis(triphenylphosphine-κ<i>P</i>)copper(I) perchlorate |
Authors of publication | Dehghanpour, Saeed; Mahmoudi, Ali |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 4 |
Pages of publication | m1173 - m1174 |
a | 11.672 ± 0.005 Å |
b | 14.273 ± 0.005 Å |
c | 14.575 ± 0.005 Å |
α | 85.63 ± 0.03° |
β | 71.9 ± 0.03° |
γ | 74.9 ± 0.03° |
Cell volume | 2228.2 ± 1.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0318 |
Residual factor for significantly intense reflections | 0.0273 |
Weighted residual factors for significantly intense reflections | 0.0707 |
Weighted residual factors for all reflections included in the refinement | 0.0735 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
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/2212976.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.