Information card for entry 7038811

Structure parameters

• Formula: C36 H40 F12 O11 Ru2
• Calculated formula: C36 H40 F12 O11 Ru2
• SMILES: C1(CC)=[O][Ru]234([O]=C(c5c(C(F)(F)F)cccc5C(F)(F)F)O[Ru]4([O]=C(c4c(C(F)(F)F)cccc4C(F)(F)F)O2)([O]=C(CC)O3)(O1)[O]1CCCC1)[O]1CCCC1.O1CCCC1
• Title of publication: trans-Heteroleptic carboxylate-bridged paddlewheel diruthenium(ii, ii) complexes with 2,6-bis(trifluoromethyl)benzoate ligands.
• Authors of publication: Sekine, Yoshihiro; Kosaka, Wataru; Kano, Hirohisa; Dou, Changxiao; Yokoyama, Taiga; Miyasaka, Hitoshi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 17
• Pages of publication: 7427 - 7434
• a: 22.369 ± 0.007 Å
• b: 8.967 ± 0.002 Å
• c: 24.188 ± 0.009 Å
• α: 90°
• β: 124.523 ± 0.008°
• γ: 90°
• Cell volume: 3997 ± 2 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.214
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No