Information card for entry 4064726

Structure parameters

• Formula: C17 H20 F N O Pt S
• Calculated formula: C17 H20 F N O Pt S
• SMILES: [Pt]12(c3c(c4[n]1c(ccc4)C(C)(C)C2)ccc(F)c3)[S](=O)(C)C
• Title of publication: Reactions of a Platinum(II) Agostic Complex: Decyclometalation, Dicyclometalation, and Solvent-Switchable Formation of a Rollover Complex
• Authors of publication: Crosby, Sarah H.; Clarkson, Guy J.; Rourke, Jonathan P.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 13
• Pages of publication: 3603
• a: 9.9679 ± 0.0002 Å
• b: 18.6651 ± 0.0003 Å
• c: 9.5993 ± 0.0002 Å
• α: 90°
• β: 111.176 ± 0.003°
• γ: 90°
• Cell volume: 1665.37 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0144
• Residual factor for significantly intense reflections: 0.0142
• Weighted residual factors for significantly intense reflections: 0.0344
• Weighted residual factors for all reflections included in the refinement: 0.0344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No