Information card for entry 4083236

Structure parameters

• Formula: C26 H34 F4 Fe O
• Calculated formula: C26 H34 F4 Fe O
• SMILES: [Fe]123456789[c]%10([cH]1[c]2([cH]3[cH]4%10)C(C)(C)C)[C@H]1C(C([C@]([c]29[cH]5[cH]6[c]7([cH]82)C(C)(C)C)(C(C)(C)C)O1)(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: 11.4823 ± 0.0014 Å
• b: 12.1707 ± 0.0016 Å
• c: 16.552 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2313.1 ± 0.6 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No