Information card for entry 7000982

Structure parameters

• Common name: Chloro-((Sp,Sp)-(2,2''-bis(diphenylphosphino-kappaP)-1,1''- biferrocene)-(6-benzene)) ruthenium(1+) hexafluorophosphate, solvate with unknown solvent
• Chemical name: Chloro-{(Sp,Sp)-[2,2"-bis(diphenylphosphino-κP)-1,1"-biferrocene]- (ε6-benzene)} ruthenium(1+) hexafluorophosphate, solvate with unknown solvent.
• Formula: C50 H42 Cl F6 Fe2 P3 Ru
• Calculated formula: C50 H42 Cl F6 Fe2 P3 Ru
• Title of publication: Synthesis, coordination behaviour, structural features and use in asymmetric hydrogenations of bifep-type biferrocenes
• Authors of publication: Espino, Gustavo; Xiao, Li; Puchberger, Michael; Mereiter, Kurt; Spindler, Felix; Manzano, Blanca R.; Jalón, Félix A.; Weissensteiner, Walter
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 15
• Pages of publication: 2751 - 2763
• a: 26.087 ± 0.006 Å
• b: 10.143 ± 0.002 Å
• c: 22.461 ± 0.005 Å
• α: 90°
• β: 123.957 ± 0.003°
• γ: 90°
• Cell volume: 4929.6 ± 1.9 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No