Information card for entry 2021781

Structure parameters

• Chemical name: {Bis[(2-diphenylphosphanyl)phenyl] ether-κ^2^<i>P</i>,<i>P</i>'}[η^4^-(<i>Z</i>,<i>Z</i>)-cycloocta-1,5-\ diene]rhodium(I) tetrafluoridoborate dichloromethane monosolvate
• Formula: C45 H42 B Cl2 F4 O P2 Rh
• Calculated formula: C45 H42 B Cl2 F4 O P2 Rh
• Title of publication: Two precatalysts for application in propargylic CH activation
• Authors of publication: Möller, Saskia; Drexler, Hans-Joachim; Heller, Detlef
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 10
• a: 11.3056 ± 0.0003 Å
• b: 12.8231 ± 0.0004 Å
• c: 14.6101 ± 0.0004 Å
• α: 83.286 ± 0.001°
• β: 74.695 ± 0.001°
• γ: 72.262 ± 0.001°
• Cell volume: 1944.29 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes