Information card for entry 4086198

Structure parameters

• Formula: C93 H90 O P4 Ru2
• Calculated formula: C93 H90 O P4 Ru2
• Title of publication: Diruthenium Complexes with Bridging Diethynyl Polyaromatic Ligands: Synthesis, Spectroelectrochemistry, and Theoretical Calculations
• Authors of publication: Zhang, Jing; Zhang, Ming-Xing; Sun, Chao-Fang; Xu, Meng; Hartl, František; Yin, Jun; Yu, Guang-Ao; Rao, Li; Liu, Sheng Hua
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 16
• Pages of publication: 3967
• a: 25.38 ± 0.003 Å
• b: 25.38 ± 0.003 Å
• c: 11.8756 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7649.6 ± 1.5 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No