Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4326108
Preview
Coordinates | 4326108.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Tris{η^3^-μ-1,3-bis[(2-pyridyl)methyl]imidazol-2- ylidene}tricopper(I) tetrafluoroborate acetonitrile hemisolvate |
---|---|
Chemical name | Triangulo-tris{η^3^-μ~2~-1,3-bis[(2-pyridyl-κN)methyl]-2<i>H</i>- imidazol-2-ylidene-κC}tricopper(I) 3(Cu—Cu) tetrafluoroborate ethanenitrile hemisolvate |
Formula | C46 H22.5 B3 Cu3 F12 N7.5 |
Calculated formula | C46 H43.5 B3 Cu3 F12 N12.5 |
Title of publication | Modulation of Metal-Metal Separations in a Series of Ag(I) and Intensely Blue Photoluminescent Cu(I) NHC-Bridged Triangular Clusters |
Authors of publication | Vincent J. Catalano; Lyndsay B. Munro; Christoph E. Strasser; Ahmad F. Samin |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 8465 - 8476 |
a | 11.5777 ± 0.0005 Å |
b | 35.4318 ± 0.0015 Å |
c | 12.3604 ± 0.0006 Å |
α | 90° |
β | 91.321 ± 0.004° |
γ | 90° |
Cell volume | 5069.1 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1164 |
Residual factor for significantly intense reflections | 0.0509 |
Weighted residual factors for significantly intense reflections | 0.0981 |
Weighted residual factors for all reflections included in the refinement | 0.1136 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.937 |
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/4326108.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.