Information card for entry 4319906

Structure parameters

• Formula: C61 H74 Cl16 Na3 O27 Ru2
• Calculated formula: C61 Cl16 Na3 O27 Ru2
• SMILES: [Ru]123456[Ru]789%10([O]5([Na]([O]3c3c(Cl)c(Cl)c(Cl)c(Cl)c3O4)([O]9c3c(O%10)c(Cl)c(Cl)c(Cl)c3Cl)([OH]C)([OH]C)[OH]C)C)[O]6([Na]([O]2c2c(O1)c(Cl)c(Cl)c(Cl)c2Cl)([O]7c1c(Cl)c(Cl)c(Cl)c(Cl)c1O8)([OH]C)([OH]C)[OH]C)C.[Na]12345678([O]9c%10c([O]4CC[O]3CC[O]2CC[O]1CC9)cccc%10)[O]1c2c([O]8CC[O]7CC[O]6CC[O]5CC1)cccc2.OC
• Title of publication: Syntheses, Structures, and Physicochemical Properties of Diruthenium Compounds of Tetrachlorocatecholate with Metal-Metal Bonded Ru3+(μ-OR)2Ru3+ and Ru3.5+(μ-OR)2Ru3.5+ Cores (R = CH3 and C2H5)
• Authors of publication: Hitoshi Miyasaka; Ho-Chol Chang; Katsunori Mochizuki; Susumu Kitagawa
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 3544 - 3554
• a: 12.657 ± 0.001 Å
• b: 16.582 ± 0.0005 Å
• c: 20.887 ± 0.002 Å
• α: 76.303 ± 0.002°
• β: 87.1994 ± 0.0008°
• γ: 80.4219 ± 0.0007°
• Cell volume: 4199.5 ± 0.5 ų
• Cell temperature: 173.2 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 significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.644
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No