Information card for entry 7119451

Structure parameters

• Chemical name: {[Ru3.5(bda)(pic)2(?-O)]2RuIV(pic)2(H2O)2}2+
• Formula: C60 H82 B F4 N10 O32 Ru3 S2
• Calculated formula: C60 H64 B F4 N10 O32 Ru3 S2
• 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: 15.229 ± 0.003 Å
• b: 17.001 ± 0.003 Å
• c: 17.204 ± 0.003 Å
• α: 65.62 ± 0.03°
• β: 84.91 ± 0.03°
• γ: 71.63 ± 0.03°
• Cell volume: 3845.9 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0871
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1511
• Weighted residual factors for all reflections included in the refinement: 0.1657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No