Information card for entry 1507789

Structure parameters

• Common name: Compound 4
• Formula: C10 H12 F3 N3 O5 Pt
• Calculated formula: C10 H12 F3 N3 O5 Pt
• SMILES: [Pt]1(OC(=CC(=[O]1)c1ccccc1)C(F)(F)F)([NH3])[NH3].N(=O)(=O)[O-]
• Title of publication: In Vitro Anticancer Activity of cis-Diammineplatinum(II) Complexes with β-Diketonate Leaving Group Ligands.
• Authors of publication: Wilson, Justin J.; Lippard, Stephen J.
• Journal of publication: Journal of medicinal chemistry
• Year of publication: 2012
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 5326 - 5336
• a: 18.336 ± 0.002 Å
• b: 7.1871 ± 0.0009 Å
• c: 10.8106 ± 0.0013 Å
• α: 90°
• β: 100.556 ± 0.002°
• γ: 90°
• Cell volume: 1400.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0367
• Weighted residual factors for all reflections included in the refinement: 0.0391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No