Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4344877
Preview
Coordinates | 4344877.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H10 Cu2 N4 S2 |
---|---|
Calculated formula | C14 H10 Cu2 N4 S2 |
Title of publication | Two- and three-dimensional CuSCN co-ordination networks including new CuSCN structural motifs |
Authors of publication | Blake, Alexander J.; Brooks, Neil R.; Champness, Neil R.; Crew, Marcello; Hanton, Lyall R.; Hubberstey, Peter; Parsons, Simon; Schröder, Martin |
Journal of publication | Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999) |
Year of publication | 1999 |
Journal issue | 16 |
Pages of publication | 2813 - 2817 |
a | 5.7282 ± 0.0017 Å |
b | 7.049 ± 0.002 Å |
c | 9.861 ± 0.003 Å |
α | 100.802 ± 0.019° |
β | 103.338 ± 0.019° |
γ | 101.623 ± 0.017° |
Cell volume | 367.9 ± 0.2 Å3 |
Cell temperature | 220 ± 2 K |
Ambient diffraction temperature | 220 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0316 |
Residual factor for significantly intense reflections | 0.0229 |
Weighted residual factors for significantly intense reflections | 0.0509 |
Weighted residual factors for all reflections included in the refinement | 0.0538 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
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/4344877.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.