Information card for entry 7246972

Structure parameters

• Formula: C18 H19 B F4 O2 S W
• Calculated formula: C18 H19 B F4 O2 S W
• 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: 20.4942 ± 0.0007 Å
• b: 12.2026 ± 0.0004 Å
• c: 15.1267 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3782.9 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0227
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No