Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7046041
Preview
Coordinates | 7046041.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | hexadeca(trifluoromethyl)-hexafluoro-[76]fullerene |
---|---|
Formula | C108 H20 F54 |
Calculated formula | C108 H20 F54 |
Title of publication | Chlorination-promoted skeletal transformation of IPR C<sub>76</sub> discovered via trifluoromethylation under the formation of non-IPR C<sub>76</sub>(CF<sub>3</sub>)<sub>n</sub>F<sub>m</sub>. |
Authors of publication | Tamm, Nadezhda B.; Brotsman, Victor A.; Markov, Vitaliy Yu; Kemnitz, Erhard; Troyanov, Sergey I. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2018 |
Journal volume | 47 |
Journal issue | 20 |
Pages of publication | 6898 - 6902 |
a | 21.606 ± 0.002 Å |
b | 15.048 ± 0.001 Å |
c | 24.002 ± 0.002 Å |
α | 90° |
β | 95.32 ± 0.01° |
γ | 90° |
Cell volume | 7770.1 ± 1.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1571 |
Residual factor for significantly intense reflections | 0.0649 |
Weighted residual factors for significantly intense reflections | 0.1239 |
Weighted residual factors for all reflections included in the refinement | 0.1417 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
Diffraction radiation wavelength | 0.8266 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
229704 (current) | 2019-11-17 | cif/ Updating files of 7046039, 7046040, 7046041, 7046042, 7046043 Original log message: Adding full bibliography for 7046039--7046043.cif. |
7046041.cif |
207352 | 2018-04-16 | cif/ Adding structures of 7046039, 7046040, 7046041, 7046042, 7046043 via cif-deposit CGI script. |
7046041.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.