Information card for entry 4083511

Structure parameters

• Formula: C19 H21 F3 N4 O3 Pt S
• Calculated formula: C19 H21 F3 N4 O3 Pt S
• SMILES: [Pt]1(OS(=O)(=O)C(F)(F)F)([n]2cccc3ccn(c23)Cn2ccc3ccc[n]1c23)(C)(C)C
• Title of publication: Steric Impact of Neutral N,N-Chelates on the Structure and Stability of Five-Coordinate Platinum(IV) Complexes:fac-PtIVMe3Complexes of BAB and BAM
• Authors of publication: Zhao, Shu-Bin; Wu, Gang; Wang, Suning
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 6
• Pages of publication: 1030
• a: 6.8821 ± 0.0001 Å
• b: 10.9123 ± 0.0001 Å
• c: 14.1919 ± 0.0002 Å
• α: 92.657 ± 0.001°
• β: 91.962 ± 0.001°
• γ: 104.942 ± 0.001°
• Cell volume: 1027.48 ± 0.02 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0172
• Residual factor for significantly intense reflections: 0.0166
• Weighted residual factors for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.0413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No