Information card for entry 4078378

Structure parameters

• Formula: C21 H30 P Rh S
• Calculated formula: C21 H30 P Rh S
• Title of publication: Structure of Metallathiacycles: Planar vs Nonplanar Geometries. A Theoretical and Experimental Investigation
• Authors of publication: Blonski, Christine; Myers, Andrew W.; Palmer, Michael; Harris, Suzanne; Jones, William D.
• Journal of publication: Organometallics
• Year of publication: 1997
• Journal volume: 16
• Journal issue: 17
• Pages of publication: 3819
• a: 17.7781 ± 0.0003 Å
• b: 8.7959 ± 0.0001 Å
• c: 27.9997 ± 0.0004 Å
• α: 90°
• β: 105.496 ± 0.001°
• γ: 90°
• Cell volume: 4219.28 ± 0.11 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections: 0.1572
• Weighted residual factors for significantly intense reflections: 0.1325
• Goodness-of-fit parameter for all reflections: 1.149
• Goodness-of-fit parameter for significantly intense reflections: 1.226
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No