Information card for entry 4316639

Structure parameters

• Chemical name: 1,2,4,5-tetrakis[(methylthio)methyl]benzene-bis(trichloroarsenic(III))
• Formula: C14 H22 As2 Cl6 S4
• Calculated formula: C14 H22 As2 Cl6 S4
• SMILES: c1(c(CSC)cc(c(c1)CSC)CSC)CSC.[As](Cl)(Cl)Cl.[As](Cl)(Cl)Cl
• Title of publication: Structural Diversity in Supramolecular Complexes of MCl3 (M = As, Sb, Bi) with Constrained Thio- and Seleno-Ether Ligands
• Authors of publication: William Levason; Seema Maheshwari; Raju Ratnani; Gillian Reid; Michael Webster; Wenjian Zhang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 9036 - 9048
• a: 11.2413 ± 0.0015 Å
• b: 7.0289 ± 0.001 Å
• c: 16.235 ± 0.003 Å
• α: 90°
• β: 93.36 ± 0.01°
• γ: 90°
• Cell volume: 1280.6 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.038
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No