Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7016520
Preview
Coordinates | 7016520.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H24 Cl2 N4 S6 |
---|---|
Calculated formula | C29 H24 Cl2 N4 S6 |
SMILES | C(Cl)Cl.C1(SC(=C(S1)SCCC)SCCC)=C1Sc2c(cc3c(c2)nc2c(c4c(cccn4)c4c2nccc4)n3)S1 |
Title of publication | Exploratory studies on coordination chemistry of a redox-active bridging ligand: synthesis, properties and solid state structures of the complexes. |
Authors of publication | Ran, Ying-Fen; Liu, Shi-Xia; Sereda, Olha; Neels, Antonia; Decurtins, Silvio |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 32 |
Pages of publication | 8193 - 8198 |
a | 9.4996 ± 0.001 Å |
b | 9.8334 ± 0.001 Å |
c | 16.7952 ± 0.0019 Å |
α | 78.014 ± 0.009° |
β | 75.026 ± 0.009° |
γ | 89.23 ± 0.009° |
Cell volume | 1481.2 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0795 |
Residual factor for significantly intense reflections | 0.0388 |
Weighted residual factors for significantly intense reflections | 0.0852 |
Weighted residual factors for all reflections included in the refinement | 0.0926 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.798 |
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/7016520.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.