Information card for entry 7122963

Structure parameters

• Formula: C21 H46 N2 P2 S2
• Calculated formula: C21 H46 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: 10.7173 ± 0.0005 Å
• b: 10.5593 ± 0.0006 Å
• c: 12.6782 ± 0.0006 Å
• α: 90°
• β: 113.193 ± 0.003°
• γ: 90°
• Cell volume: 1318.8 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No