Information card for entry 4319907

Structure parameters

• Formula: C60 H72 Cl16 Na3 O27 Ru2
• Calculated formula: C60 Cl16 Na3 O27 Ru2
• SMILES: c12c(c(c(c(c1O[Ru]134([O]25)([O](C)([Na]26([OH]C)([OH]C)[OH2])[Ru]784(Oc4c(c(c(c(c4[O]76)Cl)Cl)Cl)Cl)([O]4c6c(c(c(c(c6O8)Cl)Cl)Cl)Cl)[O]3(C)[Na]45([OH]C)([OH]C)[OH2])[O]2c2c(c(c(c(c2O1)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl.[Na]1234([OH2])[O]5c6ccccc6[O]1CC[O]2CC[O]3CC[O]4CC5.O1c2ccccc2OCCOCCOCCOCC1
• 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: 21.6069 ± 0.0003 Å
• b: 15.769 ± 0.001 Å
• c: 24.4792 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8340.5 ± 0.6 ų
• Cell temperature: 173.2 K
• Number of distinct elements: 6
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 2.088
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No