Information card for entry 7062890

Structure parameters

• Formula: C25 H26 F6 Fe N3 O2 P Pd
• Calculated formula: C25 H26 F6 Fe N3 O2 P Pd
• Title of publication: A redox switchable ferrocene decorated n-heterocyclic carbene (NHC) palladium catalyst for cross coupling of arylboronic acid and acetic anhydride in phosphine, base and additive free conditions
• Authors of publication: Bora, Debashree; Ali, Abdul Aziz; Saha, Biswajit
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 2
• Pages of publication: 615 - 620
• a: 9.5977 ± 0.0002 Å
• b: 11.8495 ± 0.0003 Å
• c: 12.2334 ± 0.0003 Å
• α: 110.729 ± 0.002°
• β: 101.751 ± 0.002°
• γ: 93.823 ± 0.002°
• Cell volume: 1259.23 ± 0.06 ų
• Cell temperature: 99.97 ± 0.1 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No