Information card for entry 7038592

Structure parameters

• Formula: C345 H328 Cl2 P16 Ru8 S8
• Calculated formula: C345 H328 Cl2 P16 Ru8 S8
• 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: 16.6322 ± 0.0016 Å
• b: 24.054 ± 0.002 Å
• c: 38.04 ± 0.004 Å
• α: 90°
• β: 96.785 ± 0.002°
• γ: 90°
• Cell volume: 15112 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0851
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No