Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7063328
Preview
Coordinates | 7063328.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H44 Br6 Cl2 Fe2 N4 O2 |
---|---|
Calculated formula | C50 H44 Br6 Cl2 Fe2 N4 O2 |
Title of publication | Coordination vs. oxidative rearrangement of photochromic spiropyrans upon reacting with FeIIICl3 and FeIIIBr3 |
Authors of publication | Osipov, Nikita G.; Faraonov, Maxim A.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Shestakov, Alexander F.; Denisov, Nikolay N.; Savinykh, Tatiana A.; Otsuka, Akihiro; Kitagawa, Hiroshi; Konarev, Dmitri V. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2024 |
Journal volume | 48 |
Journal issue | 30 |
Pages of publication | 13526 - 13537 |
a | 8.4022 ± 0.0011 Å |
b | 12.957 ± 0.0015 Å |
c | 24.221 ± 0.003 Å |
α | 94.35 ± 0.009° |
β | 94.322 ± 0.01° |
γ | 92.784 ± 0.01° |
Cell volume | 2617.9 ± 0.6 Å3 |
Cell temperature | 155 ± 2 K |
Ambient diffraction temperature | 155 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1411 |
Residual factor for significantly intense reflections | 0.0627 |
Weighted residual factors for significantly intense reflections | 0.1414 |
Weighted residual factors for all reflections included in the refinement | 0.1572 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.837 |
Diffraction radiation probe | x-ray |
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/7063328.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.