Information card for entry 3000609

Structure parameters

• Chemical name: (S)-N-(1-phenylethyl)ferrocenylthioamide
• Formula: C19 H19 Fe N S
• Authors of publication: Rakovský, Erik; Šebesta, Radovan
• Journal of publication: To be published
• a: 5.8832 ± 0.0008 Å
• b: 12.6346 ± 0.0013 Å
• c: 10.7293 ± 0.0018 Å
• α: 90°
• β: 98.774 ± 0.012°
• γ: 90°
• Cell volume: 788.2 ± 0.19 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: No
• Has disorder: No
• Has Fobs: No