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Information card for entry 1508515
Preview
| Coordinates | 1508515.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10.5 H17 Cl2 N2 O4.5 Pt |
|---|---|
| Calculated formula | C10.5 H17 Cl2 N2 O4.5 Pt |
| SMILES | [Pt](Cl)(Cl)(OC(=O)c1ccccc1)(OC(=O)C)([NH3])[NH3].C(=O)(C)C |
| Title of publication | Tuning the activity of platinum(IV) anticancer complexes through asymmetric acylation. |
| Authors of publication | Chin, Chee Fei; Tian, Quan; Setyawati, Magdiel Inggrid; Fang, Wanru; Tan, Emelyn Sue Qing; Leong, David Tai; Ang, Wee Han |
| Journal of publication | Journal of medicinal chemistry |
| Year of publication | 2012 |
| Journal volume | 55 |
| Journal issue | 17 |
| Pages of publication | 7571 - 7582 |
| a | 13.66 ± 0.003 Å |
| b | 9.867 ± 0.002 Å |
| c | 23.937 ± 0.006 Å |
| α | 90° |
| β | 98.52 ± 0.005° |
| γ | 90° |
| Cell volume | 3190.7 ± 1.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0514 |
| Residual factor for significantly intense reflections | 0.0427 |
| Weighted residual factors for significantly intense reflections | 0.0953 |
| Weighted residual factors for all reflections included in the refinement | 0.0988 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1508515.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 {}' |
1508515.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1508515.cif |
| 72025 | 2013-01-21 | cif/ Adding structures of 1508515 via cif-deposit CGI script. |
1508515.cif |
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Users of the data should acknowledge the original authors of the
structural data.