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Information card for entry 4509817
Preview
| Coordinates | 4509817.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51 H60 Cl2 N6 O9 Pt2 S4 |
|---|---|
| Calculated formula | C51 H60 Cl2 N6 O9 Pt2 S4 |
| SMILES | [Pt]12(Sc3[n](c4ccccc4s3)[Pt]3([n]4c(S1)sc1ccccc41)[n]1ccc(cc1c1[n]3ccc(c1)C(C)(C)C)C(C)(C)C)[n]1ccc(cc1c1[n]2ccc(c1)C(C)(C)C)C(C)(C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].OC |
| Title of publication | Structural Isomerism of Luminescent Dinuclear Pt(II)-Thiolate Diimines |
| Authors of publication | Tzeng, Biing-Chiau; Chiu, Tse-Hao; Lin, Sun-Yi; Yang, Chieh-Min; Chang, Tsung-Yi; Huang, Cyong-Huei; Chang, A. Hsiu-Hua; Lee, Gene-Hsiang |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2009 |
| Journal volume | 9 |
| Journal issue | 12 |
| Pages of publication | 5356 |
| a | 12.6956 ± 0.0002 Å |
| b | 15.4076 ± 0.0002 Å |
| c | 16.6151 ± 0.0002 Å |
| α | 66.3302 ± 0.0009° |
| β | 80.2927 ± 0.0008° |
| γ | 79.9283 ± 0.0008° |
| Cell volume | 2913.27 ± 0.07 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0913 |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for significantly intense reflections | 0.092 |
| Weighted residual factors for all reflections included in the refinement | 0.1092 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179634 (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 4/50/98. |
4509817.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 {}' |
4509817.cif |
| 97512 | 2014-01-29 | cif/ Adding structures of 4509816, 4509817, 4509818, 4509819, 4509820, 4509821 via cif-deposit CGI script. |
4509817.cif |
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Users of the data should acknowledge the original authors of the
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