Information card for entry 7243925

Structure parameters

• Common name: methylphenylcyclohexa-3,5-diene-1,2-diiminebis(2,2'-bipyridine)ruthenium bis(hexafulolophosphate)
• Formula: C34 H30 F12 N6 P2 Ru
• Calculated formula: C34 H30 F12 N6 P2 Ru
• SMILES: [Ru]123(N(c4ccc(cc4)C)c4c(N2)ccc(c4)C)([n]2ccccc2c2[n]3cccc2)[n]2c(c3[n]1cccc3)cccc2.[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: 13.2725 ± 0.0001 Å
• b: 13.5131 ± 0.0001 Å
• c: 13.7967 ± 0.0001 Å
• α: 104.582 ± 0.001°
• β: 103.059 ± 0.001°
• γ: 116.309 ± 0.001°
• Cell volume: 1977.56 ± 0.04 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No