Information card for entry 7012565

Structure parameters

• Formula: C12 H36 Al I3 O6 S6
• Calculated formula: C12 H36 Al I3 O6 S6
• SMILES: [Al]([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)[O]=S(C)C.[I-].[I-].[I-]
• Title of publication: Dimethyl sulfoxide solvates of the aluminium(iii), gallium(iii) and indium(iii) ions. A crystallographic, EXAFS and vibrational spectroscopic studyElectronic supplementary information (ESI) available: normalized X-ray absorption edges, calculated separate contributions of the different scattering paths to the EXAFS oscillations for the dimethyl sulfoxide solvated gallium(iii) and indium(iii) ions in the solid state and solution; correlation between compression ratio (s/h) and bond lengths in [M(dmso)6]3+ complexes; correlation between metal‒oxygen (M‒O) force constants and bond lengths in [M(dmso)6]3+ complexes. See http://www.rsc.org/suppdata/dt/b2/b212140a/
• Authors of publication: Molla-Abbassi, Alireza; Skripkin, Mikhail; Kritikos, Mikael; Persson, Ingmar; Mink, János; Sandström, Magnus
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 9
• Pages of publication: 1746
• a: 10.7617 ± 0.0011 Å
• b: 10.7617 ± 0.0011 Å
• c: 24.599 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2467.2 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1004
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No