Information card for entry 7119450

Structure parameters

• Chemical name: {[RuIII(bda)(pic)2(?-O)]2RuIV(pic)2(H2O)2}2+
• Formula: C60 H74 B2 F8 N10 O20 Ru3
• Calculated formula: C60 H58 B2 F8 N10 O18.614 Ru3
• Title of publication: Light-induced water oxidation catalyzed by an oxido-bridged triruthenium complex with a Ru-O-Ru-O-Ru motif
• Authors of publication: Yuta; Tsubonouchi; Shu; Lin; Alexander; R.; Parent; Gary; W.; Brudvig; Ken; Sakai
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 8018
• a: 14.515 ± 0.005 Å
• b: 14.999 ± 0.005 Å
• c: 15.692 ± 0.005 Å
• α: 90°
• β: 96.15 ± 0.005°
• γ: 90°
• Cell volume: 3397 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No