Information card for entry 4078069

Structure parameters

• Formula: C63 H46 B F10 P2 Ru S
• Calculated formula: C63 H46 B F10 P2 Ru S
• SMILES: [Ru]12345([P](c6ccccc6)(c6ccccc6)c6ccccc6)([P](c6ccccc6)(c6ccccc6)c6ccccc6)[cH]6[c]5(SC[B](CCc5ccccc5)(c5c(F)c(F)c(F)c(F)c5F)c5c(F)c(F)c(F)c(F)c5F)[cH]4[cH]3[cH]2[cH]16
• Title of publication: Ruthenium and Rhodium Complexes of Thioether-Alkynylborates
• Authors of publication: Dahcheh, Fatme; Stephan, Douglas W.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 8
• Pages of publication: 3222
• a: 15.7292 ± 0.0016 Å
• b: 17.8914 ± 0.0015 Å
• c: 19.3892 ± 0.0019 Å
• α: 90°
• β: 95.229 ± 0.003°
• γ: 90°
• Cell volume: 5433.8 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1142
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No