Information card for entry 4341274

Structure parameters

• Formula: C47 H30 F12 N11 P2 Ru
• Calculated formula: C47 H39 F12 N11 P2 Ru
• SMILES: [Ru]12([n]3cc4ccccc4c4cc5c6ccccc6cnc5nc34)([n]3c(cccc3)c3[n]1cccc3)([n]1c(cccc1)c1[n]2cccc1)[N]#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC.N#CC
• Title of publication: Synthesis and dynamic behavior of an anthyridine-ligated ruthenium complex.
• Authors of publication: Hirakawa, Shota; Koizumi, Take-Aki
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 20
• Pages of publication: 10788 - 10790
• a: 12.5071 ± 0.0014 Å
• b: 12.7442 ± 0.0017 Å
• c: 17.496 ± 0.002 Å
• α: 94.13 ± 0.008°
• β: 94.39 ± 0.008°
• γ: 93.802 ± 0.007°
• Cell volume: 2766.1 ± 0.6 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 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 significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No