Information card for entry 4082156

Structure parameters

• Formula: C27 H22 As F7 O3 Pt S
• Calculated formula: C27 H22 As F7 O3 Pt S
• SMILES: S(=O)(=O)([O-])C(F)(F)F.[Pt]1234([As](c5c1c(F)c(F)c(F)c5F)(c1ccccc1)c1ccccc1)[CH]1CC[CH]2=[CH]3CC[CH]4=1
• Title of publication: Divalent Platinum Complexes of the Carbanion 2-C6F4AsPh2: Monodentate or Bidentate Coordination?
• Authors of publication: Mirzadeh, Nedaossadat; Privér, Steven H.; Bennett, Martin A.; Wagler, Jörg; Bhargava, Suresh K.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 24
• Pages of publication: 7451
• a: 11.0755 ± 0.0012 Å
• b: 11.5237 ± 0.0011 Å
• c: 20.814 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2656.5 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0486
• Weighted residual factors for all reflections included in the refinement: 0.0496
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No