Information card for entry 4065125

Structure parameters

• Formula: C38 H44 Cl4 Fe P2 Pd
• Calculated formula: C38 H44 Cl4 Fe P2 Pd
• SMILES: [Pd]1([P]([c]23[Fe]456789%10([c]2([cH]6[cH]5[cH]34)[C@H]([P@]1(C12CC3CC(CC(C3)C2)C1)CC=C)C)[cH]1[cH]7[cH]8[cH]9[cH]%101)(c1ccccc1)c1ccccc1)(Cl)Cl.C(Cl)Cl
• 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: 10.2517 ± 0.0005 Å
• b: 17.0419 ± 0.0008 Å
• c: 10.7565 ± 0.0005 Å
• α: 90°
• β: 97.406 ± 0.001°
• γ: 90°
• Cell volume: 1863.57 ± 0.15 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: 0.0593
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No