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Information card for entry 7018188
Preview
| Coordinates | 7018188.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | bis(4,4'-Ditertbutyl-2,2'-bipyridyl)(1,6,7,12- tetraazaperylene)-ruthenium(ii) bis(hexafluorophosphate) |
|---|---|
| Chemical name | bis(4,4'-Ditertbutyl-2,2'-bipyridyl)(1,6,7,12-tetraazaperylene)-ruthenium(ii) bis(hexafluorophosphate) |
| Formula | C61 H75 F12 N8 O3.5 P2 Ru |
| Calculated formula | C61 H75 F12 N8 O3.5 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 | 11.6866 ± 0.001 Å |
| b | 16.5502 ± 0.0016 Å |
| c | 18.6083 ± 0.0017 Å |
| α | 67.838 ± 0.007° |
| β | 81.554 ± 0.007° |
| γ | 75.338 ± 0.007° |
| Cell volume | 3219.4 ± 0.5 Å3 |
| Cell temperature | 210 ± 2 K |
| Ambient diffraction temperature | 210 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0817 |
| Residual factor for significantly intense reflections | 0.0452 |
| Weighted residual factors for significantly intense reflections | 0.0822 |
| Weighted residual factors for all reflections included in the refinement | 0.0901 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.859 |
| 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. |
7018188.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 {}' |
7018188.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7018188.cif |
| 37678 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 7018185, 7018186, 7018187, 7018188 via cif-deposit CGI script. |
7018188.cif |
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