Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4124770
Preview
Coordinates | 4124770.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | VSc2N@Ih(7)-C80/Ni(OEP)/1.67C6H6/0.33CHCl3 |
---|---|
Formula | C126.5 H54.5 Cl N4 Ni Sc2 V |
Calculated formula | C125.825 H53.7048 Cl1.3764 N5 Ni Sc2 V |
Title of publication | Entrapping a Group-VB Transition Metal, Vanadium, within an Endohedral Metallofullerene: VxSc3-xN@Ih-C80 (x = 1, 2). |
Authors of publication | Wei, Tao; Wang, Song; Lu, Xing; Tan, Yuanzhi; Huang, Jing; Liu, Fupin; Li, Qunxiang; Xie, Suyuan; Yang, Shangfeng |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2016 |
Journal volume | 138 |
Journal issue | 1 |
Pages of publication | 207 - 214 |
a | 25.273 ± 0.005 Å |
b | 15.103 ± 0.005 Å |
c | 19.695 ± 0.005 Å |
α | 90 ± 0.005° |
β | 95.233 ± 0.005° |
γ | 90 ± 0.005° |
Cell volume | 7486 ± 3 Å3 |
Cell temperature | 121 ± 2 K |
Ambient diffraction temperature | 121 ± 2 K |
Number of distinct elements | 7 |
Space group number | 12 |
Hermann-Mauguin space group symbol | C 1 2/m 1 |
Hall space group symbol | -C 2y |
Residual factor for all reflections | 0.1395 |
Residual factor for significantly intense reflections | 0.1194 |
Weighted residual factors for significantly intense reflections | 0.2844 |
Weighted residual factors for all reflections included in the refinement | 0.298 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.444 |
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/4124770.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.