Information card for entry 7053226

Structure parameters

• Formula: C56 H48 F12 Fe2 O5 P2
• Calculated formula: C56 H42 F12 Fe2 O5 P2
• Title of publication: Diferrocenylpyrylium salts and electron rich bispyran from oxidative coupling of ferrocenylpyran. Example of redox systems switched by proton transfer
• Authors of publication: Ba, Fatou; Cabon, Nolwenn; Le Poul, Pascal; Kahlal, Samia; Saillard, Jean-Yves; Le Poul, Nicolas; Golhen, Stéphane; Caro, Bertrand; Robin-Le Guen, Françoise
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 7
• Pages of publication: 2066
• a: 11.956 ± 0.002 Å
• b: 16.995 ± 0.004 Å
• c: 15.106 ± 0.003 Å
• α: 90°
• β: 100.308 ± 0.014°
• γ: 90°
• Cell volume: 3019.9 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.238
• Residual factor for significantly intense reflections: 0.1191
• Weighted residual factors for significantly intense reflections: 0.3143
• Weighted residual factors for all reflections included in the refinement: 0.3952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No