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Information card for entry 7112783
Preview
| Coordinates | 7112783.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H27 Cl N4 O2 Pd |
|---|---|
| Calculated formula | C25 H27 Cl N4 O2 Pd |
| SMILES | c1cc2N3[Pd]([n]4c5c3cccc5ccc4CN(CCOC)CCOC)(Cl)[n]3cccc(c1)c23 |
| 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 | 5.1225 ± 0.0002 Å |
| b | 17.5023 ± 0.0007 Å |
| c | 24.8571 ± 0.001 Å |
| α | 90° |
| β | 90.583 ± 0.002° |
| γ | 90° |
| Cell volume | 2228.46 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0216 |
| Residual factor for significantly intense reflections | 0.0215 |
| Weighted residual factors for significantly intense reflections | 0.0553 |
| Weighted residual factors for all reflections included in the refinement | 0.0553 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206958 (current) | 2018-03-15 | Fixing many Z values and formulae detected when treating files that initially displayed Z' < 1 |
7112783.cif |
| 180241 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/27. |
7112783.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 {}' |
7112783.cif |
| 112089 | 2014-04-29 | cif/ Adding structures of 7112783, 7112784, 7112785, 7112786, 7112787, 7112788 via cif-deposit CGI script. |
7112783.cif |
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Users of the data should acknowledge the original authors of the
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