Information card for entry 2300575

Structure parameters

• Formula: C26 H19 P S
• Calculated formula: C26 H19 P S
• Title of publication: An empirical correction for the influence of low-energy contamination
• Authors of publication: Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2015
• Journal volume: 48
• Journal issue: 6
• Pages of publication: 1907 - 1913
• a: 10.215 ± 0.002 Å
• b: 12.322 ± 0.002 Å
• c: 17.351 ± 0.003 Å
• α: 101.57 ± 0.02°
• β: 91.25 ± 0.02°
• γ: 112.02 ± 0.02°
• Cell volume: 1972.2 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.021
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for all reflections included in the refinement: 0.025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.67
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No