Information card for entry 4083235

Structure parameters

• Formula: C22 H25 F5 Fe O
• Calculated formula: C22 H25 F5 Fe O
• SMILES: [Fe]123456789[c]%10([cH]4[c]3([cH]2[cH]1%10)C(C)(C)C)C(C(C(C(=O)[c]19[cH]5[c]6([cH]7[cH]81)C(C)(C)C)(F)F)(F)F)F
• Title of publication: Bulky-Alkyl-Substituted Bis(trifluorovinyl)ferrocenes: Redox-Autocatalytic Formation of Fluorinated Ferrocenophanes
• Authors of publication: Roemer, Max; Heinrich, Darina; Kang, Youn Kyung; Chung, Young Keun; Lentz, Dieter
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 4
• Pages of publication: 1500
• a: 16.578 ± 0.002 Å
• b: 10.0275 ± 0.0018 Å
• c: 25.858 ± 0.003 Å
• α: 90°
• β: 107.056 ± 0.006°
• γ: 90°
• Cell volume: 4109.5 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No