Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7018186
Preview
| Coordinates | 7018186.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | bis(2,2'-Bipyridyl)(1,6,7,12-tetraazaperylene)-ruthenium(ii) bis(hexafluorophosphate) |
|---|---|
| Chemical name | bis(2,2'-Bipyridyl)(1,6,7,12-tetraazaperylene)-ruthenium(ii) bis(hexafluorophosphate) |
| Formula | C40.5 H29.5 F12 N8.5 P2 Ru |
| Calculated formula | C37 H25.5 F12 N8.5 P2 Ru |
| Title of publication | Mono- and dinuclear ruthenium(ii) 1,6,7,12-tetraazaperylene complexes. |
| Authors of publication | Brietzke, Thomas; Mickler, Wulfhard; Kelling, Alexandra; Holdt, Hans-Jürgen |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 9 |
| Pages of publication | 2788 - 2797 |
| a | 10.9023 ± 0.0013 Å |
| b | 12.5034 ± 0.0014 Å |
| c | 16.734 ± 0.0018 Å |
| α | 76.174 ± 0.009° |
| β | 76.325 ± 0.009° |
| γ | 83.086 ± 0.009° |
| Cell volume | 2147.3 ± 0.4 Å3 |
| Cell temperature | 210 ± 2 K |
| Ambient diffraction temperature | 210 ± 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 | 0.0484 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.0959 |
| Weighted residual factors for all reflections included in the refinement | 0.0988 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7018186.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 {}' |
7018186.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7018186.cif |
| 37678 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 7018185, 7018186, 7018187, 7018188 via cif-deposit CGI script. |
7018186.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.