Information card for entry 4064267

Structure parameters

• Chemical name: (E)-(1-Cymantrenyl-2-ferrocenyl)-1,2-difluoroethene
• Formula: C20 H13 F2 Fe Mn O3
• Calculated formula: C20 H13 F2 Fe Mn O3
• Title of publication: Cymantrene- and Ferrocene-Based Complexes with Perfluorinated Bridging Moieties
• Authors of publication: Roemer, Max; Schmiel, Peter; Lentz, Dieter
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 7
• Pages of publication: 2063
• a: 6.764 ± 0.002 Å
• b: 15.254 ± 0.005 Å
• c: 16.83 ± 0.005 Å
• α: 90°
• β: 97.149 ± 0.007°
• γ: 90°
• Cell volume: 1723 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0502
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No