Information card for entry 4128531

Structure parameters

• Formula: C30 H26 F3 N Ru
• Calculated formula: C30 H26 F3 N Ru
• SMILES: [Ru]123456([n]7cccc8c7c7c1cccc7cc8)(c1ccc(cc1)C(F)(F)F)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C(C)C)C
• Title of publication: Oxidatively Induced Reductive Elimination: Exploring the Scope and Catalyst Systems with Ir, Rh, and Ru Complexes.
• Authors of publication: Kim, Jinwoo; Shin, Kwangmin; Jin, Seongho; Kim, Dongwook; Chang, Sukbok
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 9
• Pages of publication: 4137 - 4146
• a: 11.4269 ± 0.001 Å
• b: 13.8051 ± 0.0013 Å
• c: 15.1312 ± 0.0014 Å
• α: 90°
• β: 90.052 ± 0.003°
• γ: 90°
• Cell volume: 2386.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No