Information card for entry 1553102

Structure parameters

• Formula: C30 H24 F12 N6 Ru Sb2
• Calculated formula: C30 H24 F12 N6 Ru Sb2
• SMILES: c1cccc2[n]1[Ru]13([n]4ccccc4c4cccc[n]34)([n]3ccccc3c3cccc[n]13)[n]1ccccc21.[F-][Sb](F)(F)(F)(F)F.[F-][Sb](F)(F)(F)(F)F
• Title of publication: Formal base-free homolytic aromatic substitutions via photoredox catalysis
• Authors of publication: Gomes, Filipe; Narbonne, Vanessa; Blanchard, Florent; Maestri, Giovanni; Malacria, Max
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 5
• Pages of publication: 464
• a: 10.786 ± 0.0004 Å
• b: 10.786 ± 0.0004 Å
• c: 17.286 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1741.59 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1511
• Weighted residual factors for all reflections included in the refinement: 0.1877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.218
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No