Information card for entry 4347809

Structure parameters

• Formula: C41.5 H37.5 N3.5 Se4 Th
• Calculated formula: C41.5 H37.5 N3.5 Se4 Th
• Title of publication: Thorium Compounds with Bonds to Sulfur or Selenium: Synthesis, Structure, and Thermolysis.
• Authors of publication: Rehe, David; Kornienko, Anna Y.; Emge, Thomas J.; Brennan, John G.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 14
• Pages of publication: 6961 - 6967
• a: 19.89 ± 0.003 Å
• b: 11.7512 ± 0.0011 Å
• c: 19.6684 ± 0.0018 Å
• α: 90°
• β: 119.588 ± 0.002°
• γ: 90°
• Cell volume: 3997.6 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No