Information card for entry 4065124

Structure parameters

• Formula: C36 H42 Cl6 Fe P2 Pd
• Calculated formula: C36 H42 Cl6 Fe P2 Pd
• SMILES: [Pd]1([P]([c]23[c]4([Fe]56789%102([cH]3[cH]5[cH]46)[cH]2[cH]%10[cH]9[cH]8[cH]72)[C@H]([P@H]1C12CC3CC(C1)CC(C2)C3)C)(c1ccccc1)c1ccccc1)(Cl)Cl.ClCCl.ClCCl
• 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: 10.076 ± 0.0016 Å
• b: 14.598 ± 0.002 Å
• c: 14.085 ± 0.002 Å
• α: 90°
• β: 110.273 ± 0.003°
• γ: 90°
• Cell volume: 1943.4 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No