Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7203913
Preview
Coordinates | 7203913.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H36 N4 O10 S32 |
---|---|
Calculated formula | C52 H36 N4 O10 S32 |
SMILES | C1SC2=C(SC1)SC(S2)=C1SC2=C(S1)SCCS2.C1SC2=C(SC1)SC(S2)=C1SC2SCCSC=2S1.c1(c2cc(c([O-])c(c2)N(=O)=O)N(=O)=O)cc(c([O-])c(c1)N(=O)=O)N(=O)=O.C1SC2=C(SC1)SC(S2)=C1SC2=C(S1)SCCS2.C1CSC2=C(S1)SC(S2)=C1SC2SCCSC=2S1 |
Title of publication | Preparation of metallic BEDT-TTF charge transfer complex of 3,3',5,5'-tetranitro-4,4'-biphenyldiol dianion (TNBP2−) having flexible molecular shape |
Authors of publication | Nishimura, Kazukuni; Kondo, Tetsuo; Drozdova, Olga O.; Yamochi, Hideki; Saito, Gunzi |
Journal of publication | Journal of Materials Chemistry |
Year of publication | 2000 |
Journal volume | 10 |
Journal issue | 4 |
Pages of publication | 911 |
a | 8.692 ± 0.001 Å |
b | 12.936 ± 0.001 Å |
c | 16.208 ± 0.002 Å |
α | 97.376 ± 0.009° |
β | 96.234 ± 0.009° |
γ | 103.888 ± 0.009° |
Cell volume | 1736 ± 0.3 Å3 |
Ambient diffraction temperature | 295 ± 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 significantly intense reflections | 0.065 |
Weighted residual factors for significantly intense reflections | 0.063 |
Goodness-of-fit parameter for significantly intense reflections | 2.308 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoK-alpha |
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/7203913.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.