Information card for entry 4128698

Structure parameters

• Formula: C27 H46 F3 N O5 P2 Ru S
• Calculated formula: C27 H46 F3 N O5 P2 Ru S
• Title of publication: Pyridine-Based PCP-Ruthenium Complexes: Unusual Structures and Metal-Ligand Cooperation.
• Authors of publication: Tang, Shan; von Wolff, Niklas; Diskin-Posner, Yael; Leitus, Gregory; Ben-David, Yehoshoa; Milstein, David
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 18
• Pages of publication: 7554 - 7561
• a: 8.4532 ± 0.0003 Å
• b: 12.2712 ± 0.0003 Å
• c: 16.5682 ± 0.0004 Å
• α: 102.398 ± 0.002°
• β: 103.639 ± 0.002°
• γ: 92.35 ± 0.002°
• Cell volume: 1623.6 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.043
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.209
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No