Information card for entry 7064434

Structure parameters

• Formula: C27 H25 Fe N2 O P
• Calculated formula: C27 H25 Fe N2 O P
• 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: 8.0996 ± 0.0005 Å
• b: 13.5998 ± 0.0008 Å
• c: 40.266 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4435.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.221
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No