Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7050503
Preview
Coordinates | 7050503.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | N,N-Dimethylthioformamidium hexachlorohafniate(IV) |
---|---|
Formula | C6 H16 Cl6 Hf N2 S2 |
Calculated formula | C6 H16 Cl6 Hf N2 S2 |
SMILES | C(N(C)C)=[SH+].Cl[Hf](Cl)(Cl)(Cl)([Cl-])[Cl-].C(N(C)C)=[SH+] |
Title of publication | The discovery of the N,N-dimethylthioformamidium ion. A structural study of {(CH3)2NCHSH}2[HfCl6] in solid state and solutionElectronic supplementary information (ESI) available: 7 tables and 5 figures of IR, EXAFS and X-ray data as described in the text. See http://www.rsc.org/suppdata/nj/b2/b210969g/ |
Authors of publication | Hagfeldt, Camelia; Kessler, Vadim; Persson, Ingmar |
Journal of publication | New Journal of Chemistry |
Year of publication | 2003 |
Journal volume | 27 |
Journal issue | 5 |
Pages of publication | 850 |
a | 8.0963 ± 0.0009 Å |
b | 15.2585 ± 0.0017 Å |
c | 8.2235 ± 0.0009 Å |
α | 90° |
β | 113.024 ± 0.002° |
γ | 90° |
Cell volume | 934.98 ± 0.18 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.039 |
Residual factor for significantly intense reflections | 0.0199 |
Weighted residual factors for significantly intense reflections | 0.043 |
Weighted residual factors for all reflections included in the refinement | 0.0459 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.772 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7050503.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.