Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7058560
Preview
Coordinates | 7058560.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | dimethyl- ferrocenyl-telluronium iodide |
---|---|
Formula | C11.98 H14.94 Fe I1.02 Te |
Calculated formula | C11.9788 H14.9364 Fe I1.0212 Te |
Title of publication | Isomorphic substitution in molecular crystals and geometry of hypervalent tellurium: comments inspired by a case study of RMeTeI2 and [RMe2Te]+I− (R = Ph, Fc) |
Authors of publication | Torubaev, Yury V.; Dolgushin, Fedor M.; Skabitsky, Ivan V.; Popova, Alexandra E. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2019 |
Journal volume | 43 |
Journal issue | 31 |
Pages of publication | 12225 |
a | 31.1873 ± 0.0007 Å |
b | 9.27 ± 0.0002 Å |
c | 9.4527 ± 0.0002 Å |
α | 90° |
β | 101.113 ± 0.001° |
γ | 90° |
Cell volume | 2681.59 ± 0.1 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0339 |
Residual factor for significantly intense reflections | 0.0275 |
Weighted residual factors for significantly intense reflections | 0.0473 |
Weighted residual factors for all reflections included in the refinement | 0.0489 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
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/7058560.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.