Information card for entry 7135741

Structure parameters

• Formula: C117 H106 B3 F12 Fe2 N22 O13
• Calculated formula: C117 H106 B3 F12 Fe2 N22 O13
• Title of publication: Bioinspired Metal-Organic Helicate Drives Electrocatalytic Ethane Production from Carbon Dioxide
• Authors of publication: Gao, Liu; Wang, Jinfeng; Shen, Keshen; Jing, Xu; Duan, Chunying
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 18.37 ± 0.003 Å
• b: 21.463 ± 0.003 Å
• c: 24.249 ± 0.004 Å
• α: 105.195 ± 0.007°
• β: 110.112 ± 0.006°
• γ: 96.793 ± 0.007°
• Cell volume: 8432 ± 2 ų
• Cell temperature: 185 K
• Ambient diffraction temperature: 185 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1523
• Residual factor for significantly intense reflections: 0.1203
• Weighted residual factors for significantly intense reflections: 0.2754
• Weighted residual factors for all reflections included in the refinement: 0.2931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No