Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7059655
Preview
| Coordinates | 7059655.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | no |
|---|---|
| Chemical name | dianion salt of flavanthrone with tetrabutylphosphonium cations, o-dichlobenzene solvate |
| Formula | C63 H86 Cl N2 O2 P2 |
| Calculated formula | C63 H86 Cl N2 O2 P2 |
| Title of publication | Flavanthrone ‒ a new ligand with accessible radical anion and dianion states: preparation of zwitterionic {(Cp2V)2(flavanthrone)} and {(Cp2V)2(chloranil)} complexes |
| Authors of publication | Konarev, Dmitri V.; Andronov, Mikhail G.; Batov, Mikhail S.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Shestakov, Alexander F.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2020 |
| Journal volume | 44 |
| Journal issue | 26 |
| Pages of publication | 10849 - 10858 |
| a | 10.4142 ± 0.0006 Å |
| b | 15.4474 ± 0.0015 Å |
| c | 18.1276 ± 0.0016 Å |
| α | 89.892 ± 0.007° |
| β | 84.445 ± 0.006° |
| γ | 72.298 ± 0.007° |
| Cell volume | 2763.9 ± 0.4 Å3 |
| Cell temperature | 109 ± 2 K |
| Ambient diffraction temperature | 109 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.139 |
| Residual factor for significantly intense reflections | 0.0738 |
| Weighted residual factors for significantly intense reflections | 0.1621 |
| Weighted residual factors for all reflections included in the refinement | 0.2036 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257725 (current) | 2020-10-06 | cif/ Updating files of 7059654, 7059655, 7059656, 7059657, 7059658 Original log message: Adding full bibliography for 7059654--7059658.cif. |
7059655.cif |
| 255071 | 2020-08-06 | cif/ Updating files of 7059654, 7059655, 7059656, 7059657, 7059658 Original log message: Adding full bibliography for 7059654--7059658.cif. |
7059655.cif |
| 252472 | 2020-05-30 | cif/ Adding structures of 7059654, 7059655, 7059656, 7059657, 7059658 via cif-deposit CGI script. |
7059655.cif |
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.