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Information card for entry 4078696
Preview
| Coordinates | 4078696.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H19 Cl2 N6 P Pt S |
|---|---|
| Calculated formula | C15 H19 Cl2 N6 P Pt S |
| SMILES | [Pt]12(c3cc(Cl)c(Cl)cc3C(=[N]2N=C(S1)N)C)[P]12CN3CN(C1)CN(C2)C3 |
| Title of publication | Exploring the Versatility of Cycloplatinated Thiosemicarbazones as Antitumor and Antiparasitic Agents |
| Authors of publication | Chellan, Prinessa; Land, Kirkwood M.; Shokar, Ajit; Au, Aaron; An, Seung Hwan; Clavel, Catherine M.; Dyson, Paul J.; Kock, Carmen de; Smith, Peter J.; Chibale, Kelly; Smith, Gregory S. |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 16 |
| Pages of publication | 5791 |
| a | 19.176 ± 0.004 Å |
| b | 6.0493 ± 0.0012 Å |
| c | 17.977 ± 0.004 Å |
| α | 90° |
| β | 114.13 ± 0.03° |
| γ | 90° |
| Cell volume | 1903.1 ± 0.8 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0182 |
| Weighted residual factors for significantly intense reflections | 0.0389 |
| Weighted residual factors for all reflections included in the refinement | 0.0402 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.126 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178675 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/86. |
4078696.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 {}' |
4078696.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4078696.cif |
| 66368 | 2012-09-09 | cif/ Adding structures of 4078694, 4078695, 4078696 via cif-deposit CGI script. |
4078696.cif |
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Users of the data should acknowledge the original authors of the
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