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Information card for entry 7112784
Preview
| Coordinates | 7112784.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15.5 H16.5 Cl3.5 N4 O Pd0.5 |
|---|---|
| Calculated formula | C15.5 H16.5 Cl3.515 N4 O Pd0.5 |
| Title of publication | Ligand design for site-selective installation of Pd and Pt centers to generate homo- and heteropolymetallic motifs. |
| Authors of publication | Suess, Daniel L. M.; Peters, Jonas C. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2010 |
| Journal volume | 46 |
| Journal issue | 35 |
| Pages of publication | 6554 - 6556 |
| a | 7.3314 ± 0.0007 Å |
| b | 13.8105 ± 0.0013 Å |
| c | 18.3307 ± 0.0018 Å |
| α | 84.743 ± 0.002° |
| β | 88.483 ± 0.002° |
| γ | 82.262 ± 0.002° |
| Cell volume | 1831.2 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0413 |
| Residual factor for significantly intense reflections | 0.0341 |
| Weighted residual factors for significantly intense reflections | 0.0824 |
| Weighted residual factors for all reflections included in the refinement | 0.0872 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| 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. |
7112784.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 {}' |
7112784.cif |
| 112089 | 2014-04-29 | cif/ Adding structures of 7112783, 7112784, 7112785, 7112786, 7112787, 7112788 via cif-deposit CGI script. |
7112784.cif |
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Users of the data should acknowledge the original authors of the
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