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Information card for entry 4508719
Preview
| Coordinates | 4508719.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1,4-Bis(p-tolylethyl)benzene |
|---|---|
| Formula | C24 H26 |
| Calculated formula | C24 H26 |
| SMILES | Cc1ccc(cc1)CCc1ccc(CCc2ccc(C)cc2)cc1 |
| Title of publication | Gas-Phase Assembling of Dirhodium Units into a Novel Organometallic Ladder: Structural and DFT Study |
| Authors of publication | Filatov, Alexander S.; Rogachev, Andrey Yu.; Petrukhina, Marina A. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2006 |
| Journal volume | 6 |
| Journal issue | 6 |
| Pages of publication | 1479 |
| a | 16.5263 ± 0.0016 Å |
| b | 6.073 ± 0.0006 Å |
| c | 9.0693 ± 0.0009 Å |
| α | 90° |
| β | 100.973 ± 0.002° |
| γ | 90° |
| Cell volume | 893.59 ± 0.15 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 2 |
| 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 | 0.0658 |
| Residual factor for significantly intense reflections | 0.0527 |
| Weighted residual factors for significantly intense reflections | 0.1691 |
| Weighted residual factors for all reflections included in the refinement | 0.1795 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179623 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/87. |
4508719.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 {}' |
4508719.cif |
| 96885 | 2014-01-29 | cif/ Adding structures of 4508719, 4508720 via cif-deposit CGI script. |
4508719.cif |
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Users of the data should acknowledge the original authors of the
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