Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4027831
Preview
| Coordinates | 4027831.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H26 N Pt Re S4 |
|---|---|
| Calculated formula | C10 H26 N Pt Re S4 |
| Title of publication | [Me~8~Pt~4~ReS~4~]^-^ and related PtMe~2~-containing clusters derived from tetrathiorhenate |
| Authors of publication | Haijun Yao; Thomas B. Rauchfuss; Scott R. Wilson |
| Journal of publication | Journal of Organometallic Chemistry |
| Year of publication | 2005 |
| Journal volume | 690 |
| Journal issue | 1 |
| Pages of publication | 193 - 196 |
| a | 7.247 ± 0.003 Å |
| b | 9.391 ± 0.003 Å |
| c | 14.271 ± 0.005 Å |
| α | 94.612 ± 0.006° |
| β | 99.09 ± 0.006° |
| γ | 108.824 ± 0.006° |
| Cell volume | 898.7 ± 0.6 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1133 |
| Residual factor for significantly intense reflections | 0.0659 |
| Weighted residual factors for significantly intense reflections | 0.1539 |
| Weighted residual factors for all reflections included in the refinement | 0.1723 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.986 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4027831.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
4027831.cif |
| 91278 | 2013-12-11 | cif/ Adding structures of 4027831 via cif-deposit CGI script. |
4027831.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.