Information card for entry 1576582

Structure parameters

• Formula: C73 H78.5 F13.5 Fe2 N6 P3
• Calculated formula: C73 H78.5 F13.5 Fe2 N6 P3
• Title of publication: Direct metathesis of carbon–carbon σ-bonds at a versatile macrocycle-supported diiron platform
• Authors of publication: Liu, Tianchang; Gonder, Jared E.; Murphy, Ryan P.; Bacon, Alexandra M.; Gau, Michael R.; Tomson, Neil C.
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 24.4482 ± 0.0003 Å
• b: 11.945 ± 0.0002 Å
• c: 26.3761 ± 0.0004 Å
• α: 90°
• β: 109.54 ± 0.002°
• γ: 90°
• Cell volume: 7259.1 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0518
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No