Information card for entry 7129473

Structure parameters

• Formula: C32 H24 B2 F6 N6 O6 Ru S2
• Calculated formula: C31.9998 H24 B2 F5.9994 N6 O5.9994 Ru S1.9998
• Title of publication: Electrophilic and Nucleophilic Displacement Reactions at the Bridgehead Borons of Tris(pyridyl)borate Scorpionate Complexes
• Authors of publication: Goura, Joydeb; McQuade, James; Shimoyama, Daisuke; Lalancette, Roger A.; Sheridan, John B.; Jaekle, Frieder
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 12.6733 ± 0.0001 Å
• b: 12.6733 ± 0.0001 Å
• c: 17.5398 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2439.69 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No