Information card for entry 7038590

Structure parameters

• Chemical name: benzo[1,2-b:5,4-b']dithiophene bridged dinucelar ruthenium complexes
• Formula: C86 H82 O0.5 P4 Ru2 S2
• Calculated formula: C86 H82 O0.5 P4 Ru2 S2
• Title of publication: Notable differences between oxidized diruthenium complexes bridged by four isomeric diethynyl benzodithiophene ligands.
• Authors of publication: Ou, Ya-Ping; Zhang, Jing; Zhang, Fuxing; Kuang, Daizhi; Hartl, František; Rao, Li; Liu, Sheng Hua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 15
• Pages of publication: 6503 - 6516
• a: 16.936 ± 0.003 Å
• b: 11.92 ± 0.002 Å
• c: 20.375 ± 0.004 Å
• α: 90°
• β: 111.59 ± 0.03°
• γ: 90°
• Cell volume: 3824.7 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0737
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1448
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No