Information card for entry 4316637

Structure parameters

• Chemical name: 1,2,4,5-tetrakis((methylthio)methyl)benzene-bis(trichloroantimony(III)) acetonitrile solvate
• Formula: C18 H28 Cl6 N2 S4 Sb2
• Calculated formula: C18 H28 Cl6 N2 S4 Sb2
• SMILES: CSCc1cc(CSC)c(CSC)cc1CSC.C(#N)C.Cl[Sb](Cl)Cl.C(#N)C.Cl[Sb](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: 9.546 ± 0.003 Å
• b: 10.566 ± 0.003 Å
• c: 15.728 ± 0.003 Å
• α: 90°
• β: 103.82 ± 0.015°
• γ: 90°
• Cell volume: 1540.4 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0969
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No