Information card for entry 2219313

Structure parameters

• Chemical name: (<i>Z</i>)-3-Ferrocenyl-2-(3-pyridyl)acrylonitrile
• Formula: C18 H14 Fe N2
• Calculated formula: C18 H14 Fe N2
• Title of publication: (<i>Z</i>)-3-Ferrocenyl-2-(3-pyridyl)acrylonitrile
• Authors of publication: Chen, Fang; Ye, Heng-Yun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: m1165
• a: 11.552 ± 0.003 Å
• b: 9.2557 ± 0.0015 Å
• c: 14.458 ± 0.005 Å
• α: 90°
• β: 111.679 ± 0.015°
• γ: 90°
• Cell volume: 1436.5 ± 0.7 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: 0.1046
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes