Information card for entry 1552753

Structure parameters

• Formula: C51 H42 Cl F12 N11 O P2 Ru2
• Calculated formula: C51 H42 Cl F12 N11 O P2 Ru2
• SMILES: c1[n]2c(c3[n](cccc3)[Ru]342([n]2ccccc2c2[n]3cccc2)[n]2ccccc2c2n4[n]3[Ru]45([n]6ccccc6c6[n]5c(c5[n]4cccc5)ccc6)(Cl)[n]4ccccc4c3c2)ccc1.C(=O)(C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: A Bpp-based Dinuclear Ruthenium Photocatalyst for Visible Light-Driven Oxidation Reactions
• Authors of publication: Hennessey, Seán; Farras Costa, Pau; Benet-Buchholz, Jordi; Llobet, Antoni
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2019
• a: 12.918 ± 0.0004 Å
• b: 13.831 ± 0.0004 Å
• c: 17.552 ± 0.0006 Å
• α: 92.997 ± 0.0019°
• β: 100.953 ± 0.002°
• γ: 105.668 ± 0.0018°
• Cell volume: 2946.61 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1404
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.2103
• Weighted residual factors for all reflections included in the refinement: 0.2549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No