Information card for entry 4079701

Structure parameters

• Formula: C42 H42 F12 N12 P2 Ru
• Calculated formula: C42 H42 F12 N12 P2 Ru
• SMILES: [Ru]123([n]4ccccc4c4[n]1cccc4)([n]1ccccc1c1[n]2cccc1)[n]1cc(c2nnn(CCCC)c2)ccc1c1[n]3cc(cc1)c1nnn(c1)CCCC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Redox-Asymmetric Bisruthenium Complex Bridged by a Pyridin-4-yl Moiety: Synthesis, Characterization, and Electronic Coupling Studies
• Authors of publication: Yang, Wen-Wen; Yao, Jiannian; Zhong, Yu-Wu
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 24
• Pages of publication: 8577
• a: 11.887 ± 0.003 Å
• b: 14.052 ± 0.003 Å
• c: 14.801 ± 0.003 Å
• α: 78.24 ± 0.012°
• β: 78.94 ± 0.01°
• γ: 84.63 ± 0.013°
• Cell volume: 2371.6 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1623
• Residual factor for significantly intense reflections: 0.1199
• Weighted residual factors for significantly intense reflections: 0.3025
• Weighted residual factors for all reflections included in the refinement: 0.3381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No