Information card for entry 7709285

Structure parameters

• Chemical name: 4a_exo
• Formula: C36 H46 B Cl F4 N5 O6 Ru
• Calculated formula: C36 H46 B Cl F4 N5 O6 Ru
• Title of publication: Exploiting exo and endo furan-maleimide Diels–Alder linkages for the functionalization of organoruthenium complexes
• Authors of publication: Tran, Hoang-Van; Haghdoost, Mohammad Mehdi; Poulet, Sylvain; Tcherkawsky, Paul; Castonguay, Annie
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 14.619 ± 0.005 Å
• b: 14.258 ± 0.004 Å
• c: 21.155 ± 0.007 Å
• α: 90°
• β: 106.214 ± 0.012°
• γ: 90°
• Cell volume: 4234 ± 2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.139
• Residual factor for significantly intense reflections: 0.096
• Weighted residual factors for significantly intense reflections: 0.2704
• Weighted residual factors for all reflections included in the refinement: 0.3197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No