Information card for entry 7248001

Structure parameters

• Chemical name: UmeRitter2
• Formula: C19 H8 F3 Mo N O5 S2
• Calculated formula: C19 H8 F3 Mo N O5 S2
• Title of publication: CF3-substituted sulfonium cations as efficient chalcogen bond donors towards cyanometalates
• Authors of publication: Streit, Tim-Niclas; Gomila, Rosa M.; Sievers, Robin; Frontera, Antonio; Malischewski, Moritz
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 5
• Pages of publication: 594 - 598
• a: 9.5818 ± 0.0004 Å
• b: 10.4568 ± 0.0005 Å
• c: 11.5348 ± 0.0005 Å
• α: 114.713 ± 0.002°
• β: 94.029 ± 0.002°
• γ: 96.506 ± 0.002°
• Cell volume: 1034.22 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0243
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.0558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No