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Information card for entry 4076408
Preview
| Coordinates | 4076408.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H56 N16 O4 Pt4 S8 |
|---|---|
| Calculated formula | C40 H56 N16 O4 Pt4 S8 |
| SMILES | [Pt]123c4c(C(=[N]3N=C([S]1[Pt]13c5c(C(=[N]3N=C([S]1[Pt]13c6c(C(=[N]3N=C([S]1[Pt]13c7c(C(=[N]3N=C([S]21)N)C)scc7)N)C)scc6)N)C)scc5)N)C)scc4.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C |
| Title of publication | Organoplatinum(II) Complexes with 2-Acetylthiophene Thiosemicarbazone: Synthesis, Characterization, Crystal Structures, and in Vitro Antitumor Activity |
| Authors of publication | Ali, Awadelkareem A.; Nimir, Hassan; Aktas, Cenk; Huch, Volker; Rauch, Ulrich; Schäfer, Karl-Herbert; Veith, Michael |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 6 |
| Pages of publication | 2256 |
| a | 9.7853 ± 0.0015 Å |
| b | 11.775 ± 0.0018 Å |
| c | 24.179 ± 0.004 Å |
| α | 96.994 ± 0.006° |
| β | 93.403 ± 0.007° |
| γ | 94.925 ± 0.006° |
| Cell volume | 2748.1 ± 0.8 Å3 |
| Cell temperature | 134 ± 2 K |
| Ambient diffraction temperature | 134 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1269 |
| Residual factor for significantly intense reflections | 0.0665 |
| Weighted residual factors for significantly intense reflections | 0.1253 |
| Weighted residual factors for all reflections included in the refinement | 0.1454 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178653 (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 4/07/64. |
4076408.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4076408.cif |
| 51948 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4076408 via cif-deposit CGI script. |
4076408.cif |
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Users of the data should acknowledge the original authors of the
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