Information card for entry 2101826

Structure parameters

• Formula: C13 H32 I N3 Se
• Calculated formula: C13 H32 I N3 Se
• Title of publication: New Inclusion Compounds of Selenourea with Tetraethyl- and Tetra-<i>n</i>-propylammonium Halides
• Authors of publication: Li, Q.; Mak, T. C. W.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 262 - 271
• a: 8.976 ± 0.001 Å
• b: 14.455 ± 0.002 Å
• c: 15.377 ± 0.003 Å
• α: 90°
• β: 94.16 ± 0.01°
• γ: 90°
• Cell volume: 1989.9 ± 0.5 ų
• Cell temperature: 291 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 significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.066
• Goodness-of-fit parameter for significantly intense reflections: 1.5
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No