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Information card for entry 4079044
Preview
| Coordinates | 4079044.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H55 Co Ru2 |
|---|---|
| Calculated formula | C39 H38 Co Ru2 |
| Title of publication | Synthesis of a Heterometallic Trinuclear Cluster Containing Ruthenium and Cobalt and Its Reactivity with Internal Alkynes |
| Authors of publication | Nagaoka, Masahiro; Takao, Toshiro; Suzuki, Hiroharu |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 18 |
| Pages of publication | 6547 |
| a | 17.3373 ± 0.0006 Å |
| b | 17.9205 ± 0.0006 Å |
| c | 11.4374 ± 0.0005 Å |
| α | 90° |
| β | 102.892 ± 0.0013° |
| γ | 90° |
| Cell volume | 3463.9 ± 0.2 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.0393 |
| Residual factor for significantly intense reflections | 0.0346 |
| Weighted residual factors for significantly intense reflections | 0.0942 |
| Weighted residual factors for all reflections included in the refinement | 0.0984 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.911 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178679 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/90. |
4079044.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 {}' |
4079044.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4079044.cif |
| 72291 | 2013-01-21 | cif/ Adding structures of 4079043, 4079044 via cif-deposit CGI script. |
4079044.cif |
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Users of the data should acknowledge the original authors of the
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