Information card for entry 7038813

Structure parameters

• Formula: C36 H40 F12 O10 Ru2
• Calculated formula: C36 H40 F12 O10 Ru2
• SMILES: C1(c2c(C(F)(F)F)cccc2C(F)(F)F)=[O][Ru]234([O]=C(O[Ru]4(O1)([O]=C(c1c(C(F)(F)F)cccc1C(F)(F)F)O2)([O]=C(O3)CCCC)[O]1CCCC1)CCCC)[O]1CCCC1
• 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: 10.2128 ± 0.0018 Å
• b: 19.643 ± 0.003 Å
• c: 10.2777 ± 0.0017 Å
• α: 90°
• β: 106.857 ± 0.004°
• γ: 90°
• Cell volume: 1973.2 ± 0.6 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• 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: 0.0452
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No