Information card for entry 7064440

Structure parameters

• Formula: C55 H52 B2 Cl2 F8 Fe2 N4 P2 Pd
• Calculated formula: C55 H52 B2 Cl2 F8 Fe2 N4 P2 Pd
• Title of publication: Synthesis, coordination and catalytic application of hybrid phosphinoferrocene ligands bearing imidazole N-donor groups
• Authors of publication: Varmuzova, Vera; Cisarova, Ivana; Štěpnička, Petr
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• a: 13.0202 ± 0.001 Å
• b: 11.5261 ± 0.001 Å
• c: 16.9331 ± 0.0014 Å
• α: 90°
• β: 93.615 ± 0.003°
• γ: 90°
• Cell volume: 2536.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• 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: 0.0241
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No