Information card for entry 2210057

Structure parameters

• Chemical name: Tris(N,N-diethylcarbamato-κ^2^S,S')arsenic(III)
• Formula: C15 H30 As N3 S6
• Calculated formula: C15 H30 As N3 S6
• SMILES: [As]123(SC(=[S]1)N(CC)CC)(SC(=[S]2)N(CC)CC)SC(=[S]3)N(CC)CC
• Title of publication: Tris(<i>N</i>,<i>N</i>-diethylcarbamato-κ^2^<i>S</i>,<i>S</i>')arsenic(III)
• Authors of publication: Feng Li; Handong Yin; Jun Zhai; Daqi Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2205 - m2207
• a: 15.868 ± 0.005 Å
• b: 8.389 ± 0.003 Å
• c: 18.548 ± 0.006 Å
• α: 90°
• β: 100.99 ± 0.004°
• γ: 90°
• Cell volume: 2423.8 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0569
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes