Information card for entry 2218957

Structure parameters

• Chemical name: (<i>Z</i>)-3-Ferrocenyl-2-(4-pyridyl)propenenitrile
• Formula: C11 H11 N3 O5
• Calculated formula: C11 H11 N3 O5
• Title of publication: Methyl 2-[(<i>E</i>)-(4-nitrophenyl)hydrazono]-3-oxobutyrate
• Authors of publication: Liu, Yong-Hong; Sun, Gui-You; Liu, Jian-Feng; Ye, Jun; Liu, Xiao-Lan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1608
• a: 12.88 ± 0.003 Å
• b: 14.299 ± 0.003 Å
• c: 6.6328 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1221.6 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1206
• 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: Yes