Information card for entry 1518629

Structure parameters

• Chemical name: Chlorido-(N,N-dimethyl(4-methoxy)benzylamine- κN,κC)-tris(4-trifluoromethylphenyl)phosphane-platinum(II)
• Formula: C31 H26 Cl F9 N O P Pt
• Calculated formula: C31 H26 Cl F9 N O P Pt
• SMILES: [Pt]1(Cl)([P](c2ccc(cc2)C(F)(F)F)(c2ccc(cc2)C(F)(F)F)c2ccc(cc2)C(F)(F)F)[N](C)(C)Cc2c1cc(OC)cc2
• 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: 17.3951 ± 0.0008 Å
• b: 14.9557 ± 0.0007 Å
• c: 11.9109 ± 0.0005 Å
• α: 90°
• β: 98.576 ± 0.002°
• γ: 90°
• Cell volume: 3064 ± 0.2 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: 0.0206
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for significantly intense reflections: 0.0409
• Weighted residual factors for all reflections included in the refinement: 0.0418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No