Information card for entry 8105742

Structure parameters

• Formula: C19 H15 Cl Fe O
• Calculated formula: C19 H15 Cl Fe O
• Title of publication: The crystal structure of (E)-3-(2-chlorophenyl)-1-ferrocenylprop-2-en-1-one, C19H15ClFeO
• Authors of publication: Zhang, Lilei; Xie, Mengru
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 4
• Pages of publication: 531 - 533
• a: 10.2693 ± 0.0005 Å
• b: 11.2568 ± 0.0006 Å
• c: 20.893 ± 0.001 Å
• α: 80.35 ± 0.002°
• β: 76.964 ± 0.001°
• γ: 86.921 ± 0.002°
• Cell volume: 2319.4 ± 0.2 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1143
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No