Information card for entry 4319908

Structure parameters

• Formula: C80 H70 Cl16 Na2 O16 P2 Ru2
• Calculated formula: C80 Cl16 Na2 O16 P2 Ru2
• SMILES: c12c(c(c(c(c1O[Ru]134([O]25)([O](CC)([Na]26([OH]CC)([OH2])[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(CC)[Na]45([OH]CC)([OH2])[OH2])[O]2c2c(c(c(c(c2O1)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 12.9343 ± 0.0008 Å
• b: 26.275 ± 0.002 Å
• c: 15.3341 ± 0.0005 Å
• α: 90°
• β: 114.004 ± 0.001°
• γ: 90°
• Cell volume: 4760.6 ± 0.5 ų
• Cell temperature: 173.2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.273
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No