Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7011223
Preview
Coordinates | 7011223.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Bis-[2,6-di-(pyrazol-1-yl)pyridine]copper(II) ditetrafluoroborate |
---|---|
Formula | C22 H18 B2 Cu F8 N10 |
Calculated formula | C22 H18 B2 Cu F8 N10 |
Title of publication | A crystallographic and EPR study of the fluxional Cu(II) ion in [CuL2][BF4]2 (L = 2,6-dipyrazol-1-ylpyridine) |
Authors of publication | Nayan K. Solanki; Michael A. Leech; Eric J. L. McInnes; Frank E. Mabbs; Judith A. K. Howard; Colin A. Kilner; Jeremy M. Rawson; Malcolm A. Halcrow |
Journal of publication | J. Chem. Soc., Dalton Trans. |
Year of publication | 2002 |
Journal issue | 7 |
Pages of publication | 1295 - 1301 |
a | 8.4158 ± 0.0004 Å |
b | 8.4834 ± 0.0004 Å |
c | 18.6853 ± 0.0008 Å |
α | 90° |
β | 97.147 ± 0.001° |
γ | 90° |
Cell volume | 1323.66 ± 0.11 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0228 |
Residual factor for significantly intense reflections | 0.0217 |
Weighted residual factors for significantly intense reflections | 0.0577 |
Weighted residual factors for all reflections included in the refinement | 0.0583 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7011223.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.