Information card for entry 4073502

Structure parameters

• Common name: 1153 YW234 [PdCl2(10c)].solv
• Chemical name: ((S~p~)-1-Diphenylphosphino-2-bis-(3,5-dimethylphenyl)phosphinomethyl- 3-methyl-ferrocene)-dichloropalladium(II), solvate with unknown solvent
• Formula: C40 H40 Cl2 Fe P2 Pd
• Calculated formula: C40 H40 Cl2 Fe P2 Pd
• SMILES: [Pd]1(Cl)(Cl)[P]([c]23[Fe]456789%10([c]2([c]4([cH]5[cH]36)C)C[P]1(c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)[cH]1[cH]7[cH]8[cH]9[cH]%101)(c1ccccc1)c1ccccc1
• 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: 9.7526 ± 0.0005 Å
• b: 19.0518 ± 0.001 Å
• c: 22.4483 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4171 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0331
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No