Information card for entry 7243926

Structure parameters

• Common name: di(4-methylaniline)bis(2,2'-bipyridine)ruthenium bis(trifluoromethanesulfonate)
• Formula: C36 H34 F6 N6 O6 Ru S2
• Calculated formula: C36 H34 F6 N6 O6 Ru S2
• SMILES: [Ru]12([n]3c(cccc3)c3[n]1cccc3)([n]1c(c3[n]2cccc3)cccc1)([NH2]c1ccc(cc1)C)[NH2]c1ccc(cc1)C.S(=O)(=O)([O-])C(F)(F)F.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: N–C bond formation between two anilines coordinated to a ruthenium center in cis-form affording a 3,5-cyclohexadiene-1,2-diimine moiety
• Authors of publication: Tomioka, Nozomi; Nanbu, Shinkoh; Misawa-Suzuki, Tomoyo; Nagao, Hirotaka
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 58
• Pages of publication: 36644 - 36650
• a: 11.2388 ± 0.0001 Å
• b: 22.2125 ± 0.0003 Å
• c: 15.9788 ± 0.0002 Å
• α: 90°
• β: 91.188 ± 0.001°
• γ: 90°
• Cell volume: 3988.12 ± 0.08 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1548
• Weighted residual factors for all reflections included in the refinement: 0.1846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No