Information card for entry 2218542

Structure parameters

• Common name: (Z)-2-phenyl-3-(ferrocenyl)acrylonitrile
• Chemical name: (<i>Z</i>)-3-Ferrocenyl-2-phenylacrylonitrile
• Formula: C19 H15 Fe N
• Calculated formula: C19 H15 Fe N
• Title of publication: (<i>Z</i>)-3-Ferrocenyl-2-phenylacrylonitrile
• Authors of publication: Cao, Lu-Yang; Ye, Heng-Yun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: m822
• a: 6.8255 ± 0.0014 Å
• b: 11.795 ± 0.002 Å
• c: 19.939 ± 0.004 Å
• α: 90°
• β: 106.786 ± 0.016°
• γ: 90°
• Cell volume: 1536.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0796
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes