Information card for entry 4122679

Structure parameters

• Formula: C18 H20 F6 N5 Pt Sb
• Calculated formula: C18 H20 F6 N5 Pt Sb
• SMILES: [Pt]12([n]3c(cccc3c3[n]2c(ccc3)NC)c2[n]1c(ccc2)NC)C.[Sb](F)(F)(F)(F)([F-])F
• Title of publication: Oxygen Insertion into Metal Carbon Bonds: Formation of Methylperoxo Pd(II) and Pt(II) Complexes via Photogenerated Dinuclear Intermediates.
• Authors of publication: Petersen, Allan R.; Taylor, Russell A.; Vicente-Hernández, Inmaculada; Mallender, Philip R.; Olley, Harriet; White, Andrew J. P.; Britovsek, George J. P.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 40
• Pages of publication: 14089 - 14099
• a: 7.8695 ± 0.00017 Å
• b: 11.6934 ± 0.0003 Å
• c: 12.1791 ± 0.0003 Å
• α: 102.214 ± 0.002°
• β: 105.141 ± 0.002°
• γ: 99.416 ± 0.002°
• Cell volume: 1028.5 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0499
• Weighted residual factors for all reflections included in the refinement: 0.0517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No