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Information card for entry 4339169
Preview
| Coordinates | 4339169.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H9 Cl F3 N5 Pt |
|---|---|
| Calculated formula | C12 H9 Cl F3 N5 Pt |
| SMILES | [Pt]1(Cl)([n]2[nH]ccc2)[n]2ccccc2c2n1nc(c2)C(F)(F)F |
| Title of publication | Blue-emitting platinum(II) complexes bearing both pyridylpyrazolate chelate and bridging pyrazolate ligands: synthesis, structures, and photophysical properties. |
| Authors of publication | Chang, Sheng-Yuan; Chen, Jing-Lin; Chi, Yun; Cheng, Yi-Ming; Lee, Gene-Hsiang; Jiang, Chang-Ming; Chou, Pi-Tai |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Journal issue | 26 |
| Pages of publication | 11202 - 11212 |
| a | 15.7012 ± 0.0007 Å |
| b | 12.9389 ± 0.0006 Å |
| c | 6.8971 ± 0.0003 Å |
| α | 90° |
| β | 97.005 ± 0.001° |
| γ | 90° |
| Cell volume | 1390.73 ± 0.11 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0289 |
| Residual factor for significantly intense reflections | 0.0234 |
| Weighted residual factors for significantly intense reflections | 0.053 |
| Weighted residual factors for all reflections included in the refinement | 0.073 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.175 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179494 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/91. |
4339169.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 {}' |
4339169.cif |
| 117176 | 2014-06-14 | cif/ Adding structures of 4339169, 4339170, 4339171, 4339172, 4339173, 4339174 via cif-deposit CGI script. |
4339169.cif |
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Users of the data should acknowledge the original authors of the
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