Information card for entry 4065126

Structure parameters

• Formula: C24 H27 Cl2 F6 Fe O P2 Pd
• Calculated formula: C24 H27 Cl2 F6 Fe O 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(=O)C12CC3CC(C1)CC(C2)C3)C)[cH]1[cH]%10[cH]9[cH]8[cH]71)(C(F)(F)F)C(F)(F)F
• Title of publication: Secondary Ferrocenyl Phosphines: Versatile Precursors for the Synthesis of Bi- and Tridentate Ligands
• Authors of publication: Buergler, Jonas F.; Togni, Antonio
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 17
• Pages of publication: 4742
• a: 8.5565 ± 0.0006 Å
• b: 16.0505 ± 0.0011 Å
• c: 19.3687 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2660 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0393
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No