Information card for entry 4341275

Structure parameters

• Formula: C39 H27 F12 N7 P2 Ru
• Calculated formula: C39 H27 F12 N7 P2 Ru
• SMILES: [Ru]123([n]4cc5ccccc5c5cc6c7ccccc7cnc6[n]1c45)([n]1c(cccc1)c1[n]2cccc1)[n]1c(cccc1)c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• 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: 13.287 ± 0.004 Å
• b: 17.777 ± 0.005 Å
• c: 16.497 ± 0.005 Å
• α: 90°
• β: 99.787 ± 0.0011°
• γ: 90°
• Cell volume: 3840 ± 2 ų
• Cell temperature: 113.1 K
• Ambient diffraction temperature: 113.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for all reflections included in the refinement: 0.0434
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No