Information card for entry 4066182

Structure parameters

• Formula: C27 H22 Cl2 Fe N P Pd
• Calculated formula: C27 H22 Cl2 Fe N P Pd
• SMILES: [Pd]1(Cl)(Cl)[P]([c]23[cH]4[Fe]56789%102([cH]3[cH]5[cH]46)[c]2([cH]7[cH]8[cH]9[cH]%102)c2[n]1cccc2)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis, Structural Characterization, and Catalytic Evaluation of Palladium Complexes with Homologous Ferrocene-Based Pyridylphosphine Ligands
• Authors of publication: Štěpnička, Petr; Schulz, Jiří; Klemann, Thorsten; Siemeling, Ulrich; Císařová, Ivana
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 14
• Pages of publication: 3187
• a: 15.4619 ± 0.0002 Å
• b: 10.5555 ± 0.0002 Å
• c: 15.9837 ± 0.0003 Å
• α: 90°
• β: 114.448 ± 0.001°
• γ: 90°
• Cell volume: 2374.77 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No