Information card for entry 7038591

Structure parameters

• Formula: C138 H135 Cl4 P6 Ru3 S3
• Calculated formula: C138 H135 Cl4 P6 Ru3 S3
• 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: 13.848 ± 0.003 Å
• b: 16.508 ± 0.003 Å
• c: 28.27 ± 0.006 Å
• α: 87.931 ± 0.004°
• β: 77.753 ± 0.004°
• γ: 76.06 ± 0.003°
• Cell volume: 6129 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1144
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.2044
• Weighted residual factors for all reflections included in the refinement: 0.2413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No