Information card for entry 4335464

Structure parameters

• Formula: C34.54 H24.31 F12 N6.77 O P2 Ru S2
• Calculated formula: C34.512 H24.268 F12 N6.756 O P2 Ru S2
• Title of publication: Complexes with Redox-Active Ligands: Synthesis, Structure, and Electrochemical and Photophysical Behavior of the Ru(II) Complex with TTF-Annulated Phenanthroline
• Authors of publication: Lawrence K. Keniley Jr.; Nathalie Dupont; Lipika Ray; Jie Ding; Kirill Kovnir; Jordan M. Hoyt; Andreas Hauser; Michael Shatruk
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 8040 - 8052
• a: 8.928 ± 0.003 Å
• b: 12.162 ± 0.004 Å
• c: 17.426 ± 0.005 Å
• α: 89.738 ± 0.004°
• β: 86.754 ± 0.004°
• γ: 83.664 ± 0.004°
• Cell volume: 1877.6 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0852
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No