Information card for entry 4086099

Structure parameters

• Formula: C41 H35 Bi Cl Ir O2 P2
• Calculated formula: C41 H35 Bi Cl Ir O2 P2
• SMILES: [Bi]12[Ir]3(Cl)([P](c4c1cccc4)(c1ccccc1)c1ccccc1)([P](c1c2cccc1)(c1ccccc1)c1ccccc1)OC(=CC(=[O]3)C)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: 10.9535 ± 0.0005 Å
• b: 19.1129 ± 0.0008 Å
• c: 18.0177 ± 0.0008 Å
• α: 90°
• β: 106.173 ± 0.003°
• γ: 90°
• Cell volume: 3622.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0794
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1458
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No