Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7014812
Preview
Coordinates | 7014812.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H46 Co N6 O4 S4 |
---|---|
Calculated formula | C52 H46 Co N6 O4 S4 |
SMILES | C1(=O)c2[n]3c(ccc2)C(=O)N([Co]243(N1[C@@H](c1ccccc1)C)N([C@@H](c1ccccc1)C)C(=O)c1[n]4c(ccc1)C(=O)N2[C@H](C)c1ccccc1)[C@H](C)c1ccccc1.S1C(SC=C1)=C1SC=CS1 |
Title of publication | TTF salts of optically pure cobalt pyridine amidates; detection of soluble assemblies with stoichiometry corresponding to the solid state. |
Authors of publication | Chmel, Nikola Paul; Allan, Laura E. N.; Becker, Jan M.; Clarkson, Guy J.; Turner, Scott S.; Scott, Peter |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 8 |
Pages of publication | 1722 - 1731 |
a | 15.868 ± 0.0008 Å |
b | 10.5601 ± 0.0004 Å |
c | 15.6312 ± 0.0007 Å |
α | 90° |
β | 109.222 ± 0.005° |
γ | 90° |
Cell volume | 2473.3 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0658 |
Residual factor for significantly intense reflections | 0.0405 |
Weighted residual factors for significantly intense reflections | 0.066 |
Weighted residual factors for all reflections included in the refinement | 0.0695 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.888 |
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/7014812.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.