Information card for entry 1506358

Structure parameters

• 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 ų
• 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