Information card for entry 1518628

Structure parameters

• Chemical name: Chlorido-(N,N-dimethyl(4-fluoro)benzylamine- κN,κC)(dimethylsulfoxide-κS)platinum(II)
• Formula: C11 H17 Cl F N O Pt S
• Calculated formula: C11 H17 Cl F N O Pt S
• SMILES: [Pt]1(Cl)([S](=O)(C)C)[N](Cc2c1cc(F)cc2)(C)C
• Title of publication: Dual Antitumor and Antiangiogenic Activity of Organoplatinum(II) Complexes.
• Authors of publication: Zamora, Ana; Pérez, Sergio A; Rodríguez, Venancio; Janiak, Christoph; Yellol, Gorakh S.; Ruiz, José
• Journal of publication: Journal of medicinal chemistry
• Year of publication: 2015
• Journal volume: 58
• Journal issue: 3
• Pages of publication: 1320 - 1336
• a: 5.9315 ± 0.0003 Å
• b: 12.1005 ± 0.0005 Å
• c: 19.7 ± 0.0008 Å
• α: 90°
• β: 103.067 ± 0.001°
• γ: 90°
• Cell volume: 1377.34 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0236
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.0533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No