Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2005689
Preview
Coordinates | 2005689.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | Bis[S,S'(-)-trans-3,3'-(1,2-cyclohexandiyldinitrilo)-bis(2-methylpropane-2- thialato)nickel(II)] [(μ-iodocopper(I)-κ^2^S^1^,S^2'^)(μ-iodocopper(I)-κ^2^S^2^,S^1'^)(μ- iodocopper(I)-κ^2^S^2^,S^2'^)].diacetonitrile |
---|---|
Formula | C32 H62 Cu3 I3 N6 Ni2 S4 |
Calculated formula | C32 H62 Cu3 I3 N6 Ni2 S4 |
Title of publication | A Mixed-Metal Pentanuclear Complex Containing Linked Ni^II^N~2~S~2~ and Cu^I^I Units |
Authors of publication | Fox, S.; Stibrany, R. T.; Potenza, J. A.; Schugar, H. J. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1996 |
Journal volume | 52 |
Journal issue | 11 |
Pages of publication | 2731 - 2734 |
a | 12.837 ± 0.003 Å |
b | 18.081 ± 0.004 Å |
c | 11.747 ± 0.004 Å |
α | 96.49 ± 0.02° |
β | 106.84 ± 0.03° |
γ | 107.77 ± 0.03° |
Cell volume | 2423.7 ± 1.4 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 5.25 |
Residual factor for significantly intense reflections | 0.0388 |
Weighted residual factors for significantly intense reflections | 0.047 |
Goodness-of-fit parameter for significantly intense reflections | 1.6 |
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/2005689.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.