Information card for entry 7129475

Structure parameters

• Formula: C50 H50 B2 N6 Ru
• Calculated formula: C50 H50 B2 N6 Ru
• 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: 35.524 ± 0.0004 Å
• b: 35.524 ± 0.0004 Å
• c: 9.9139 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10834.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No