Information card for entry 2300609

Structure parameters

• Formula: C26 H19 P S
• Calculated formula: C26 H19 P S
• Title of publication: Empirical correction for resolution- and temperature-dependent errors caused by factors such as thermal diffuse scattering
• Authors of publication: Niepötter, Benedikt; Herbst-Irmer, Regine; Stalke, Dietmar
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2015
• Journal volume: 48
• Journal issue: 5
• Pages of publication: 1485 - 1497
• a: 10.213 ± 0.002 Å
• b: 12.29 ± 0.002 Å
• c: 17.335 ± 0.003 Å
• α: 101.62 ± 0.03°
• β: 91.37 ± 0.002°
• γ: 112.09 ± 0.03°
• Cell volume: 1962.9 ± 0.8 ų
• Cell temperature: 15 ± 2 K
• Ambient diffraction temperature: 15 ± 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: 0.025
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for all reflections included in the refinement: 0.028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.297
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes