Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4324915
Preview
Coordinates | 4324915.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C103.23 H5.97 F54 N Sc3 |
---|---|
Calculated formula | C103.53 H6.32 F54 N Sc3 |
Title of publication | Synthesis, Isolation, and Addition Patterns of Trifluoromethylated D5h and Ih Isomers of Sc3N@C80: Sc3N@D5h-C80(CF3)18 and Sc3N@Ih-C80(CF3)14 |
Authors of publication | Shangfeng Yang; Chuanbao Chen; Mingzhi Jiao; Nadezhda B. Tamm; Maria A. Lanskikh; Erhard Kemnitz; Sergey I. Troyanov |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 3766 - 3771 |
a | 13.562 ± 0.001 Å |
b | 14.634 ± 0.001 Å |
c | 21.672 ± 0.001 Å |
α | 86.53 ± 0.01° |
β | 72.12 ± 0.01° |
γ | 76.2 ± 0.01° |
Cell volume | 3974.9 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.2906 |
Residual factor for significantly intense reflections | 0.2116 |
Weighted residual factors for significantly intense reflections | 0.4736 |
Weighted residual factors for all reflections included in the refinement | 0.4944 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.152 |
Diffraction radiation wavelength | 0.905 Å |
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/4324915.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.