Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7229724
Preview
Coordinates | 7229724.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | no |
---|---|
Chemical name | salt of vanadyl phthalocyanine with tetrahexylammonium cation, o-dichlobenzene solvate |
Formula | C62 H72 Cl2 N9 O V |
Calculated formula | C62 H72 Cl2 N9 O V |
Title of publication | Salts with titanyl and vanadyl phthalocyanine radical anions. Molecular design and effect of cations on the structure and magnetic and optical properties |
Authors of publication | Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Batov, Mikhail S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N. |
Journal of publication | CrystEngComm |
Year of publication | 2018 |
Journal volume | 20 |
Journal issue | 4 |
Pages of publication | 385 |
a | 22.92 ± 0.0006 Å |
b | 11.7027 ± 0.0003 Å |
c | 21.2051 ± 0.0006 Å |
α | 90° |
β | 95.783 ± 0.003° |
γ | 90° |
Cell volume | 5658.8 ± 0.3 Å3 |
Cell temperature | 109.95 ± 0.1 K |
Ambient diffraction temperature | 109.95 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0521 |
Residual factor for significantly intense reflections | 0.0406 |
Weighted residual factors for significantly intense reflections | 0.0835 |
Weighted residual factors for all reflections included in the refinement | 0.0898 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation probe | x-ray |
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/7229724.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.