Information card for entry 7246969

Structure parameters

• Formula: C13 H16 B F4 Mo N O2 S
• Calculated formula: C13 H16 B F4 Mo N O2 S
• 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: 14.4687 ± 0.0006 Å
• b: 9.4064 ± 0.0004 Å
• c: 12.9891 ± 0.0006 Å
• α: 90°
• β: 108.546 ± 0.002°
• γ: 90°
• Cell volume: 1675.99 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No