Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4107185
Preview
Coordinates | 4107185.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Sc2C2@Cs(6)-C82Triphenyle |
---|---|
Chemical name | Sc2C2@Cs(6)-C82Triphenylemethyl pyrrolidine |
Formula | C117.5 H44 N Sc2 |
Calculated formula | C117.508 H44 N Sc2.0002 |
Title of publication | Structural Elucidation and Regioselective Functionalization of An Unexplored Carbide Cluster Metallofullerene Sc2C2@Cs(6)-C82 |
Authors of publication | Xing Lu; Koji Nakajima; Yuko Iiduka; Hidefumi Nikawa; Naomi Mizorogi; Zdenek Slanina; Takahiro Tsuchiya; Shigeru Nagase; Takeshi Akasaka |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 19553 - 19558 |
a | 11.048 ± 0.004 Å |
b | 16.791 ± 0.006 Å |
c | 19.079 ± 0.007 Å |
α | 71.951 ± 0.005° |
β | 73.731 ± 0.005° |
γ | 77.086 ± 0.005° |
Cell volume | 3194 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1589 |
Residual factor for significantly intense reflections | 0.0935 |
Weighted residual factors for significantly intense reflections | 0.2089 |
Weighted residual factors for all reflections included in the refinement | 0.2478 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4107185.cif |
91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4107185.cif |
54836 | 2012-04-29 | cif/ Adding structures of 4107185 via cif-deposit CGI script. |
4107185.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.