Information card for entry 4317889

Structure parameters

• Formula: C6 H12 As Cl3 S3
• Calculated formula: C6 H12 As Cl3 S3
• SMILES: [As]12(Cl)(Cl)(Cl)[S]3CC[S]1CC[S]2CC3
• Title of publication: Arsenic(III) Halide Complexes with Acyclic and Macrocyclic Thio- and Selenoether Coligands: Synthesis and Structural Properties
• Authors of publication: Nicholas J. Hill; William Levason; Gillian Reid
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 2070 - 2076
• a: 17.52 ± 0.004 Å
• b: 17.52 Å
• c: 16.79 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5154 ± 2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 110
• Hermann-Mauguin space group symbol: I 41 c d
• Hall space group symbol: I 4bw -2c
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No