Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7038887
Preview
Coordinates | 7038887.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H24 Cu2 I2 N4 S2 |
---|---|
Calculated formula | C24 H24 Cu2 I2 N4 S2 |
SMILES | c1cccc2CSCc3cccc[n]3[Cu]3([I][Cu]4([I]3)[n]3ccccc3CSCc3cccc[n]43)[n]12 |
Title of publication | Probing copper halide supramolecular arrays of a ditopic ligand with complexes of a monotopic analogue |
Authors of publication | Caradoc-Davies, Paula L.; Gregory, Duncan H.; Hanton, Lyall R.; Turnbull, Julia M. |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2002 |
Journal issue | 8 |
Pages of publication | 1574 - 1580 |
a | 8.0239 ± 0.0005 Å |
b | 18.7101 ± 0.0011 Å |
c | 9.516 ± 0.0006 Å |
α | 90° |
β | 110.112 ± 0.001° |
γ | 90° |
Cell volume | 1341.5 ± 0.14 Å3 |
Cell temperature | 168 ± 2 K |
Ambient diffraction temperature | 168 ± 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 | 0.0313 |
Residual factor for significantly intense reflections | 0.0276 |
Weighted residual factors for significantly intense reflections | 0.0698 |
Weighted residual factors for all reflections included in the refinement | 0.0715 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
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/7038887.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.