Information card for entry 7246970

Structure parameters

• Formula: C15.5 H22 B Cl F4 Mo O3 S2
• Calculated formula: C15.5 H22 B Cl F4 Mo O3 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: 7.4092 ± 0.0001 Å
• b: 17.2813 ± 0.0001 Å
• c: 16.2089 ± 0.0001 Å
• α: 90°
• β: 99.937 ± 0.001°
• γ: 90°
• Cell volume: 2044.26 ± 0.03 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 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: 0.0368
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.274
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No