Information card for entry 4073501

Structure parameters

• Common name: 1152 YW238-1 [PdCl2(9c)].(1/2CH2Cl2+1/2EtOH)
• Chemical name: ((R~p~)-1-Diphenylphosphino-2-bis-(3,5-dimethylphenyl)phosphinomethyl- ferrocene)-dichloropalladium(II), solvate with dichloromethane and ethanol
• Formula: C40.5 H42 Cl3 Fe O0.5 P2 Pd
• Calculated formula: C40.46 H41.38 Cl3.08 Fe O0.46 P2 Pd
• Title of publication: Synthesis and Use in Asymmetric Hydrogenations of Solely Planar Chiral 1,2-Disubstituted and 1,2,3-Trisubstituted Ferrocenyl Diphosphines: A Comparative Study
• Authors of publication: Wang, Yaping; Weissensteiner, Walter; Spindler, Felix; Arion, Vladimir B.; Mereiter, Kurt
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 14
• Pages of publication: 3530
• a: 11.5451 ± 0.0005 Å
• b: 17.7582 ± 0.0008 Å
• c: 18.3153 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3755 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0238
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No