Information card for entry 7246965

Structure parameters

• Formula: C13 H19 B F4 Mo O2 S2
• Calculated formula: C13 H19 B F4 Mo O2 S2
• Title of publication: Stabilization of propene molybdenum and tungsten half–sandwich complexes by intramolecular coordination of a thioether function
• Authors of publication: Hanzl, Lukáš; Vinklárek, Jaromír; Dostál, Libor; Císařová, Ivana; Litecká, Miroslava; Honzíček, Jan
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 29
• Pages of publication: 19746 - 19756
• a: 10.45569 ± 0.00014 Å
• b: 19.7033 ± 0.0004 Å
• c: 13.0905 ± 0.0002 Å
• α: 90°
• β: 100.125 ± 0.0014°
• γ: 90°
• Cell volume: 2654.8 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No