Information card for entry 4083234

Structure parameters

• Formula: C22 H25 F7 Fe
• Calculated formula: C22 H25 F7 Fe
• SMILES: [Fe]123456789[cH]%10[c]1([cH]2[cH]3[c]4%10C(C(C(C([c]15[cH]6[c]7([cH]8[cH]91)C(C)(C)C)F)(F)F)(F)F)(F)F)C(C)(C)C
• 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: 13.68 ± 0.002 Å
• b: 17.241 ± 0.003 Å
• c: 17.751 ± 0.003 Å
• α: 90°
• β: 100.453 ± 0.004°
• γ: 90°
• Cell volume: 4117.2 ± 1.2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1752
• Weighted residual factors for all reflections included in the refinement: 0.1904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No