Information card for entry 7719741

Structure parameters

• Formula: C54 H70 Cl2 Fe2 P2 Pd S2
• Calculated formula: C54 H70 Cl2 Fe2 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: 10.8384 ± 0.0004 Å
• b: 10.8772 ± 0.0004 Å
• c: 11.7745 ± 0.0004 Å
• α: 80.317 ± 0.001°
• β: 66.367 ± 0.001°
• γ: 88.618 ± 0.001°
• Cell volume: 1252.13 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0213
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections included in the refinement: 0.0526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No