Information card for entry 4086791

Structure parameters

• Formula: C40 H31 Cl F6 P Rh
• Calculated formula: C40 H31 Cl F6 P Rh
• SMILES: [Rh]123(Cl)([P](c4ccccc4)(c4ccccc4)c4c(cccc4)C(c4ccc(cc4)C(F)(F)F)c4ccc(cc4)C(F)(F)F)[CH]4C5[CH]3=[CH]2C([CH]1=4)C5
• Title of publication: Synthesis, Coordination Properties, and Catalytic Application of Triarylmethane-Monophosphines
• Authors of publication: Iwai, Tomohiro; Tanaka, Ryotaro; Sawamura, Masaya
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 23
• Pages of publication: 3959
• a: 11.0197 ± 0.0011 Å
• b: 15.6825 ± 0.0015 Å
• c: 19.873 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3434.4 ± 0.6 ų
• Cell temperature: 230 K
• Ambient diffraction temperature: 230 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No