Information card for entry 7000981

Structure parameters

• Common name: compound (11)
• Chemical name: Dichloro-{(Sp,Sp)-[2-bis(3,5-dimethyl-4-methoxyphenyl)phosphino- κP-2"-bis[3,5-bis(trifluoromethyl)phenyl]phosphino-κP-1,1"- biferrocene]} palladium(II), solvate with disordered diethyl ether and/or dichloromethane.
• Formula: C54 H44 Cl2 F12 Fe2 O2 P2 Pd
• Calculated formula: C54 H44 Cl2 F12 Fe2 O2 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: 13.883 ± 0.003 Å
• b: 15.914 ± 0.003 Å
• c: 26.242 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5798 ± 2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No