Information card for entry 1577054

Structure parameters

• Formula: C20 H30 F6 Fe P
• Calculated formula: C20 H30 F6 Fe P
• Title of publication: One System, Three Functions: An Electroactive Reconfigurable Organic Receptor for Adaptive Binding, Information Encoding, and Metal-Free Oxidation
• Authors of publication: Das, Rajorshi; Seethapathy, Logeshwari; M, Rohith; Hazra, Chinmoy Kumar; Samanta, Jayanta; Pramanik, Susnata
• Journal of publication: Materials Horizons
• Year of publication: 2026
• a: 14.341 ± 0.002 Å
• b: 8.9089 ± 0.0012 Å
• c: 9.1627 ± 0.0015 Å
• α: 90°
• β: 112.327 ± 0.005°
• γ: 90°
• Cell volume: 1082.9 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No