Information card for entry 1506357

Structure parameters

• Chemical name: cis,cis,trans-diamminedichlorobis(4-cyanobenzoyl)platinum(IV)
• Formula: C24 H30 Cl2 N4 O6 Pt
• Calculated formula: C24 H30 Cl2 N4 O6 Pt
• SMILES: [Pt](Cl)(Cl)(OC(=O)c1ccc(cc1)C#N)(OC(=O)c1ccc(cc1)C#N)([NH3])[NH3].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: 7.8196 ± 0.0008 Å
• b: 12.2969 ± 0.0011 Å
• c: 16.4366 ± 0.0015 Å
• α: 81.492 ± 0.008°
• β: 77.063 ± 0.008°
• γ: 88.498 ± 0.007°
• Cell volume: 1523.4 ± 0.3 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: 0.0682
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1564
• Weighted residual factors for all reflections included in the refinement: 0.1603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No