Information card for entry 7000980

Structure parameters

• Common name: compound (10)
• Chemical name: Dichloro-{(Sp,Sp)-[2,2"-bis(diphenylphosphino-κP)-1,1"-biferrocene]} palladium(II) bis-trichloromethane mono-aqua solvate
• Formula: C46 H40 Cl8 Fe2 O P2 Pd
• Calculated formula: C46 H39.38 Cl8 Fe2 O0.69 P2 Pd
• 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: 10.27 ± 0.003 Å
• b: 22.142 ± 0.006 Å
• c: 10.282 ± 0.003 Å
• α: 90°
• β: 100.96 ± 0.02°
• γ: 90°
• Cell volume: 2295.5 ± 1.1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No