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Information card for entry 1506358
Preview
| Coordinates | 1506358.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | cis,cis,trans-diamminedichlorobis(2-carboxylbenzoyl)platinum(IV) |
|---|---|
| Formula | C20 H24 Cl2 N2 O9 Pt |
| Calculated formula | C20 H24 Cl2 N2 O9 Pt |
| SMILES | [Pt](Cl)(Cl)([NH3])([NH3])(OC(=O)c1ccccc1C(=O)O)OC(=O)c1ccccc1C(=O)O.O1CCCC1 |
| Title of publication | Synthesis and characterization of platinum(IV) anticancer drugs with functionalized aromatic carboxylate ligands: influence of the ligands on drug efficacies and uptake. |
| Authors of publication | Ang, Wee Han; Pilet, Sébastien; Scopelliti, Rosario; Bussy, François; Juillerat-Jeanneret, Lucienne; Dyson, Paul J. |
| Journal of publication | Journal of medicinal chemistry |
| Year of publication | 2005 |
| Journal volume | 48 |
| Journal issue | 25 |
| Pages of publication | 8060 - 8069 |
| a | 8.9038 ± 0.0007 Å |
| b | 12.4327 ± 0.0012 Å |
| c | 12.8543 ± 0.0014 Å |
| α | 62.59 ± 0.011° |
| β | 82.906 ± 0.008° |
| γ | 72.039 ± 0.009° |
| Cell volume | 1201.4 ± 0.2 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 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 | 0.0547 |
| Residual factor for significantly intense reflections | 0.0516 |
| Weighted residual factors for significantly intense reflections | 0.1487 |
| Weighted residual factors for all reflections included in the refinement | 0.1502 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.182 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1506358.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506358.cif |
| 50248 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 1506355, 1506356, 1506357, 1506358 via cif-deposit CGI script. |
1506358.cif |
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Users of the data should acknowledge the original authors of the
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