Information card for entry 7061953

Structure parameters

• Formula: C38 H26 F12 Fe N4 O8
• Calculated formula: C38 H26 F12 Fe N4 O8
• Title of publication: Bis[squaramido]ferrocenes as electrochemical sulfate receptors
• Authors of publication: Lane, Jakob D. E.; Greenwood, William J. H.; Day, Victor W.; Jolliffe, Katrina A.; Bowman-James, Kristin; Adriaenssens, Louis
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 38
• Pages of publication: 18119 - 18123
• a: 10.3206 ± 0.0003 Å
• b: 13.2397 ± 0.0003 Å
• c: 14.9915 ± 0.0003 Å
• α: 85.44 ± 0.002°
• β: 74.635 ± 0.002°
• γ: 72.764 ± 0.003°
• Cell volume: 1886.54 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No