Information card for entry 7228764

Structure parameters

• Chemical name: 1,1'-diiacetylferocene 1,2-diiodoethene
• Formula: C17.5 H14 Fe I3.5 O2
• Calculated formula: C17.5 H14 Fe I3.5 O2
• Title of publication: Self-assembly of conducting cocrystals via iodine—-π(Cp) interactions
• Authors of publication: Torubaev, Yury; Lyssenko, Konstantin A.; Barzilovich, Petro Yu.; Mobin, Shaikh M.; Singh, Ajeet; Saratov, George A.; Mathur, Pradeep
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 9.7975 ± 0.0013 Å
• b: 14.719 ± 0.002 Å
• c: 15.736 ± 0.002 Å
• α: 113.443 ± 0.002°
• β: 98.806 ± 0.002°
• γ: 92.046 ± 0.002°
• Cell volume: 2045.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No