Information card for entry 1508515

Structure parameters

• Formula: C10.5 H17 Cl2 N2 O4.5 Pt
• Calculated formula: C10.5 H17 Cl2 N2 O4.5 Pt
• SMILES: [Pt](Cl)(Cl)(OC(=O)c1ccccc1)(OC(=O)C)([NH3])[NH3].C(=O)(C)C
• Title of publication: Tuning the activity of platinum(IV) anticancer complexes through asymmetric acylation.
• Authors of publication: Chin, Chee Fei; Tian, Quan; Setyawati, Magdiel Inggrid; Fang, Wanru; Tan, Emelyn Sue Qing; Leong, David Tai; Ang, Wee Han
• Journal of publication: Journal of medicinal chemistry
• Year of publication: 2012
• Journal volume: 55
• Journal issue: 17
• Pages of publication: 7571 - 7582
• a: 13.66 ± 0.003 Å
• b: 9.867 ± 0.002 Å
• c: 23.937 ± 0.006 Å
• α: 90°
• β: 98.52 ± 0.005°
• γ: 90°
• Cell volume: 3190.7 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0514
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No