Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7010617
Preview
| Coordinates | 7010617.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (PI4)(GaI4) |
|---|---|
| Chemical name | tetraiodophosphonium-tetraiodogallate |
| Formula | Ga I8 P |
| Calculated formula | Ga I8 P |
| SMILES | [P+](I)(I)(I)I.[Ga]([I-])(I)(I)I |
| Title of publication | Characterisation of the tetrahalophosphonium cations PBrnI4 − n+ (0 ≤ n ≤ 4) by 31P MAS NMR, IR and Raman spectroscopy and the crystal structures of PI4+AlCl4−, PI4+AlBr4− and PI4+GaI4− |
| Authors of publication | Christoph Aubauer; Martin Kaupp; Thomas M. Klapötke; Heinrich Nöth; Holger Piotrowski; Wolfgang Schnick; Jürgen Senker; Max Suter |
| Journal of publication | J. Chem. Soc., Dalton Trans. |
| Year of publication | 2001 |
| Journal issue | 12 |
| Pages of publication | 1880 - 1889 |
| a | 11.0101 ± 0.0007 Å |
| b | 10.4007 ± 0.0007 Å |
| c | 15.1835 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1738.7 ± 0.19 Å3 |
| Cell temperature | 200 ± 3 K |
| Ambient diffraction temperature | 200 ± 3 K |
| Number of distinct elements | 3 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0516 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.0758 |
| Weighted residual factors for all reflections included in the refinement | 0.0785 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.941 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7010617.cif |
| 179810 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/06. |
7010617.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7010617.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7010617.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7010617.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.