Information card for entry 4066183

Structure parameters

• Formula: C55 H46 Cl4 Fe2 N2 P2 Pd
• Calculated formula: C55 H46 Cl4 Fe2 N2 P2 Pd
• 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: 11.2998 ± 0.0003 Å
• b: 12.3849 ± 0.0002 Å
• c: 18.7197 ± 0.0004 Å
• α: 85.87 ± 0.0011°
• β: 81.017 ± 0.0011°
• γ: 70.151 ± 0.001°
• Cell volume: 2433.39 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No