Information card for entry 4342853

Structure parameters

• Formula: C50 H37 F12 N7 P2 Ru S2
• Calculated formula: C50 H37 F12 N7 P2 Ru S2
• SMILES: [Ru]1234([n]5ccccc5c5[n]1c(cc(c5)C#Cc1ccc(SC)cc1)c1[n]2cccc1)[n]1ccccc1c1[n]3c(cc(c1)C#Cc1ccc(SC)cc1)c1[n]4cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC
• Title of publication: Synthesis, Electrochemistry, and Single-Molecule Conductance of Bimetallic 2,3,5,6-Tetra(pyridine-2-yl)pyrazine-Based Complexes.
• Authors of publication: Davidson, Ross; Liang, Jing-Hong; Costa Milan, David; Mao, Bing-Wei; Nichols, Richard J.; Higgins, Simon J.; Yufit, Dmitry S.; Beeby, Andrew; Low, Paul J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 5487 - 5494
• a: 11.9071 ± 0.0008 Å
• b: 13.3199 ± 0.0009 Å
• c: 18.205 ± 0.0012 Å
• α: 83.173 ± 0.002°
• β: 75.2317 ± 0.0019°
• γ: 82.196 ± 0.002°
• Cell volume: 2755.4 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0906
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1765
• Weighted residual factors for all reflections included in the refinement: 0.1868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No