Information card for entry 7105944

Structure parameters

• Formula: C30 H35 Cl2 F3 Fe P2 Pd
• Calculated formula: C30 H35 Cl2 F3 Fe P2 Pd
• SMILES: [Pd]1(Cl)(Cl)[P@]([c]23[Fe]456789%10([c]2([cH]6[cH]5[cH]34)[C@H]([P@@]1(C12CC3CC(C1)CC(C2)C3)C)C)[cH]1[cH]7[cH]8[cH]9[cH]%101)(C(F)(F)F)c1ccccc1
• Title of publication: Chiral trifluoromethylphosphines: a new stereoselective synthesis of Josiphos-type ligands containing two stereogenic phosphorus atoms
• Authors of publication: Jonas Buergler; Antonio Togni
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 1896
• a: 11.184 ± 0.003 Å
• b: 13.48 ± 0.004 Å
• c: 19.194 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2893.7 ± 1.4 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: 0.0825
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No