Information card for entry 4317887

Structure parameters

• Formula: C4 H10 As I3 S2
• Calculated formula: C4 H10 As I3 S2
• SMILES: I[As](I)I.S(C)CCSC
• 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: 9.1528 ± 0.0001 Å
• b: 11.5622 ± 0.0002 Å
• c: 12.0939 ± 0.0002 Å
• α: 90°
• β: 93.8633 ± 0.0011°
• γ: 90°
• Cell volume: 1276.95 ± 0.03 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 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 all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections: 1.827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.83
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No