Information card for entry 7058762

Structure parameters

• Formula: C5 H9 As O3
• Calculated formula: C5 H9 As O3
• Title of publication: Pnictogen bonding with alkoxide cages: which pnictogen is best?
• Authors of publication: Trubenstein, Henry J.; Moaven, Shiva; Vega, Maythe; Unruh, Daniel K.; Cozzolino, Anthony F.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 36
• Pages of publication: 14305
• a: 5.9923 ± 0.0018 Å
• b: 10.546 ± 0.003 Å
• c: 10.779 ± 0.003 Å
• α: 90°
• β: 100.379 ± 0.004°
• γ: 90°
• Cell volume: 670 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0455
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.0588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No