Information card for entry 4086037

Structure parameters

• Formula: C50 H31 F10 Ir N6 P Pt
• Calculated formula: C50 H31 F10 Ir N6 P Pt
• SMILES: [Ir]123([n]4ccccc4c4c(cc(cc14)F)F)([n]1ccccc1c1c(cc(cc21)F)F)[n]1ccc[n]2[Pt]([n]4c(c12)[n]3ccc4)(c1ccc(cc1)C)c1ccc(cc1)C.[P](F)(F)(F)([F-])(F)F.C(C)CCCC
• Title of publication: C‒C Bond Forming Reductive Elimination from Diarylplatinum Complexes Driven by Visible-Light-Mediated Photoredox Reactions
• Authors of publication: Shiba, Yuichiro; Inagaki, Akiko; Akita, Munetaka
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 20
• Pages of publication: 4844
• a: 30.124 ± 0.003 Å
• b: 24.288 ± 0.003 Å
• c: 17.0643 ± 0.0019 Å
• α: 90°
• β: 123.492 ± 0.001°
• γ: 90°
• Cell volume: 10412 ± 2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1615
• Weighted residual factors for all reflections included in the refinement: 0.1833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No