Information card for entry 7038814

Structure parameters

• Formula: C36 H40 F12 O10 Ru2
• Calculated formula: C36 H40 F12 O10 Ru2
• SMILES: [O]1(CCCC1)[Ru]1234[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)O1)(OC(=[O]3)C(C)(C)C)([O]=C(O2)C(C)(C)C)[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: 11.642 ± 0.002 Å
• b: 9.6284 ± 0.0016 Å
• c: 18.579 ± 0.004 Å
• α: 90°
• β: 98.218 ± 0.005°
• γ: 90°
• Cell volume: 2061.2 ± 0.7 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No