Information card for entry 7719737

Structure parameters

• Formula: C27 H23 Fe P S
• Calculated formula: C27 H23 Fe P S
• 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: 8.5287 ± 0.0004 Å
• b: 18.4913 ± 0.0008 Å
• c: 13.9375 ± 0.0006 Å
• α: 90°
• β: 99.727 ± 0.002°
• γ: 90°
• Cell volume: 2166.44 ± 0.17 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.036
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No