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Information card for entry 4063657
Preview
| Coordinates | 4063657.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C49 H32.5 Cl2 N O6.75 Ru3 |
|---|---|
| Calculated formula | C49 H29 Cl2 N O6.75 Ru3 |
| Title of publication | Reactions of a Trinuclear Ruthenium Complex Derived from 3-(2-Pyridyl)indene with Diphenylacetylene and Phenylacetylene: Insertion of Alkynes into the Ru−C bond |
| Authors of publication | Chen, Dafa; Zhang, Congying; Xu, Shansheng; Song, Haibin; Wang, Baiquan |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 4 |
| Pages of publication | 676 |
| a | 16.572 ± 0.014 Å |
| b | 10.185 ± 0.009 Å |
| c | 27.55 ± 0.02 Å |
| α | 90° |
| β | 98.248 ± 0.015° |
| γ | 90° |
| Cell volume | 4602 ± 7 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0767 |
| Residual factor for significantly intense reflections | 0.0506 |
| Weighted residual factors for significantly intense reflections | 0.12 |
| Weighted residual factors for all reflections included in the refinement | 0.1338 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.154 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4063657.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 {}' |
4063657.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4063657.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063657.cif |
| 32639 | 2012-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4063655, 4063656, 4063657, 4063658, 4063659, 4063660, 4063661 via cif-deposit CGI script. |
4063657.cif |
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