Information card for entry 1553111

Structure parameters

• Formula: C65 H61 F6 N O2 P3 Rh
• Calculated formula: C65 H61 F6 N O2 P3 Rh
• SMILES: c12ccc3cccc4c3c1[n]([Rh]1([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)[CH]4=[CH]1CCc1ccccc1)ccc2.[P](F)(F)(F)(F)(F)[F-].O=C(C)C.O=C(C)C
• Title of publication: Mechanistic studies on C‒C reductive coupling of five-coordinate Rh(iii) complexes
• Authors of publication: Chen, Shanshan; Su, Yan; Han, Keli; Li, Xingwei
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 7
• Pages of publication: 783
• a: 10.8319 ± 0.0004 Å
• b: 13.2288 ± 0.0004 Å
• c: 22.0889 ± 0.0008 Å
• α: 75.156 ± 0.002°
• β: 79.856 ± 0.002°
• γ: 69.201 ± 0.002°
• Cell volume: 2847.44 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1606
• Weighted residual factors for all reflections included in the refinement: 0.181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No