Information card for entry 4118021

Structure parameters

• Common name: 2,4-dimethoxybenzylamine-derived pentameric iron(II) helicate
• Formula: C240 H234 Cl F45 Fe5 N37 O20 P7.5
• Calculated formula: C240 H234 Cl F45 Fe5 N37 O20 P7.5
• Title of publication: Pentameric Circular Iron(II) Double Helicates and a Molecular Pentafoil Knot
• Authors of publication: Jean-François Ayme; Jonathon E. Beves; David A. Leigh; Roy T. McBurney; Kari Rissanen; David Schultz
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 9488 - 9497
• a: 34.023 ± 0.002 Å
• b: 23.7143 ± 0.0018 Å
• c: 36.537 ± 0.002 Å
• α: 90°
• β: 94.386 ± 0.002°
• γ: 90°
• Cell volume: 29393 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1561
• Residual factor for significantly intense reflections: 0.1392
• Weighted residual factors for significantly intense reflections: 0.3627
• Weighted residual factors for all reflections included in the refinement: 0.3835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.411
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No