Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7212749
Preview
Coordinates | 7212749.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C64 H70 Co F12 N10 O6 P2 |
---|---|
Calculated formula | C64 H70 Co F12 N10 O6 P2 |
SMILES | [Co]1234([n]5c(cccc5c5[n]2[nH]c(c5)c2ccccc2)c2[n]1[nH]c(c2)c1ccccc1)[n]1c(cccc1c1[n]4[nH]c(c1)c1ccccc1)c1[n]3[nH]c(c1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].CC(=O)C.CC(=O)C.CC(=O)C.CC(=O)C.CC(=O)C.CC(=O)C |
Title of publication | Di[2,6-bis(5-phenylpyrazol-3-yl)pyridine]Co(II): an old coordination mode for a novel supramolecular assembly |
Authors of publication | Scicluna, Todd R.; Fraser, Benjamin H.; Gorham, Nicole T.; MacLellan, Jonathan G.; Massi, Massimiliano; Skelton, Brian W.; St Pierre, Timothy G.; Woodward, Robert C. |
Journal of publication | CrystEngComm |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 11 |
Pages of publication | 3422 |
a | 17.5637 ± 0.0005 Å |
b | 23.2693 ± 0.0006 Å |
c | 17.8248 ± 0.0004 Å |
α | 90° |
β | 91.029 ± 0.002° |
γ | 90° |
Cell volume | 7283.7 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.2357 |
Residual factor for significantly intense reflections | 0.0695 |
Weighted residual factors for significantly intense reflections | 0.1772 |
Weighted residual factors for all reflections included in the refinement | 0.2158 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.796 |
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/7212749.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.