Information card for entry 7243922

Structure parameters

• Common name: N1-phenylcyclohexa-3,5-diene-1,2-diiminebis(2,2'-bipyridine)ruthenium hexafulolophosphate
• Formula: C32 H26 F12 N6 P2 Ru
• Calculated formula: C32 H26 F12 N6 P2 Ru
• SMILES: [Ru]123([n]4c(c5[n]3cccc5)cccc4)(N(c3c(N1)cccc3)c1ccccc1)[n]1c(c3[n]2cccc3)cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• 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: 13.3118 ± 0.0001 Å
• b: 18.7973 ± 0.0001 Å
• c: 13.9779 ± 0.0001 Å
• α: 90°
• β: 97.417 ± 0.001°
• γ: 90°
• Cell volume: 3468.37 ± 0.04 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 6
• 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: 0.0372
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No