Information card for entry 1506356

Structure parameters

• Chemical name: cis,cis,trans-diamminedichlorobis(4-vinylbenzoyl)platinum(IV)
• Formula: C26 H36 Cl2 N2 O6 Pt
• Calculated formula: C26 H36 Cl2 N2 O6 Pt
• SMILES: [Pt](Cl)(Cl)([NH3])([NH3])(OC(=O)c1ccc(cc1)C=C)OC(=O)c1ccc(cc1)C=C.O1CCCC1.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: 23.951 ± 0.002 Å
• b: 7.8455 ± 0.0013 Å
• c: 32.732 ± 0.003 Å
• α: 90°
• β: 110.353 ± 0.008°
• γ: 90°
• Cell volume: 5766.6 ± 1.2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No