Information card for entry 7719744

Structure parameters

• Formula: C52 H44 Cl2 Fe2 N2 P2 Pd S2
• Calculated formula: C52 H44 Cl2 Fe2 N2 P2 Pd S2
• Title of publication: Synthesis, coordination, and catalytic application of phosphinoferrocene ligands bearing flexible thienyl and thiazolyl pendants.
• Authors of publication: Varmužová, Věra; Císařová, Ivana; Štěpnička, Petr
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 44
• Pages of publication: 16611 - 16628
• a: 10.9837 ± 0.0005 Å
• b: 12.6909 ± 0.0005 Å
• c: 16.3131 ± 0.0007 Å
• α: 90°
• β: 99.153 ± 0.002°
• γ: 90°
• Cell volume: 2244.98 ± 0.17 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• 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: 0.0233
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.0555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No