Information card for entry 4077673

Structure parameters

• Formula: C46.73 H34 F6 O7 P2 Ru S2
• Calculated formula: C46.7315 H31.5 F6 O7 P2 Ru S2
• Title of publication: P−C Bond Splitting Reactions in Ruthenium(II) Complexes of Binap and MeO−Biphep Using CF3SO3H and HBF4. A Novel Ru−F−H Interaction
• Authors of publication: den Reijer, Carolien J.; Wörle, Michael; Pregosin, Paul S.
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 3
• Pages of publication: 309
• a: 15.099 ± 0.002 Å
• b: 16.131 ± 0.002 Å
• c: 19.817 ± 0.003 Å
• α: 108.2 ± 0.03°
• β: 103.14 ± 0.03°
• γ: 94.34 ± 0.03°
• Cell volume: 4408.7 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No