Information card for entry 4086101

Structure parameters

• Formula: C48 H37 Bi Cl F6 Ir O2 P2
• Calculated formula: C48 H37 Bi Cl F6 Ir O2 P2
• SMILES: [Bi]12[Ir]3(Cl)([P](c4c1cccc4)(c1ccccc1)c1ccccc1)([P](c1c2cccc1)(c1ccccc1)c1ccccc1)OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F.c1c(cccc1)C
• Title of publication: PBiP Pincer Complexes of Platinum, Palladium, and Iridium Featuring Metal‒Metal Bonds Synthesized by Oxidative Addition of Bismuth‒Halide Bonds
• Authors of publication: Tschersich, Carolin; Braun, Beatrice; Herwig, Christian; Limberg, Christian
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 15
• Pages of publication: 3782
• a: 11.1085 ± 0.0003 Å
• b: 32.84 ± 0.0007 Å
• c: 15.7403 ± 0.0004 Å
• α: 90°
• β: 130.216 ± 0.002°
• γ: 90°
• Cell volume: 4384.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No