Information card for entry 7029111

Structure parameters

• Chemical name: bis(1,2-bis(methylthio)ethane)diiodoaluminium tetraiodoaluminate
• Formula: C8 H20 Al2 I6 S4
• Calculated formula: C8 H20 Al2 I6 S4
• SMILES: [Al]12(I)(I)([S](C)CC[S]1C)[S](C)CC[S]2C.[Al](I)(I)(I)[I-]
• Title of publication: Thio-, seleno- and telluro-ether complexes of aluminium(iii) halides: synthesis, structures and properties.
• Authors of publication: George, Kathryn; Jura, Marek; Levason, William; Light, Mark E.; Reid, Gillian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 9
• Pages of publication: 3637 - 3648
• a: 14.825 ± 0.003 Å
• b: 12.181 ± 0.002 Å
• c: 15.15 ± 0.004 Å
• α: 90°
• β: 108.449 ± 0.008°
• γ: 90°
• Cell volume: 2595.2 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1353
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 0.799
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No