Information card for entry 7129474

Structure parameters

• Formula: C42 H36 B2 Br2 F6 N8 O8 Ru S2
• Calculated formula: C42 H36 B2 Br2 F6 N8 O8 Ru S2
• 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: 8.9535 ± 0.00015 Å
• b: 9.465 ± 0.0002 Å
• c: 14.7807 ± 0.0003 Å
• α: 101.358 ± 0.0017°
• β: 107.338 ± 0.0016°
• γ: 98.0218 ± 0.0016°
• Cell volume: 1145.66 ± 0.04 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No