Information card for entry 7122964

Structure parameters

• Formula: C19 H42 N2 P2 S2
• Calculated formula: C19 H42 N2 P2 S2
• Title of publication: Diphosphination of CO2 and CS2 mediated by frustrated Lewis pairs - catalytic route to phosphanyl derivatives of formic and dithioformic acid
• Authors of publication: Szynkiewicz, Natalia; Ponikiewski, Łukasz; Grubba, Rafał
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 12.6968 ± 0.0004 Å
• b: 13.8758 ± 0.0006 Å
• c: 14.6351 ± 0.0005 Å
• α: 94.762 ± 0.003°
• β: 100.84 ± 0.003°
• γ: 90.497 ± 0.003°
• Cell volume: 2522.86 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No