Information card for entry 7012566

Structure parameters

• Formula: C12 H36 Ga I3 O6 S6
• Calculated formula: C12 H36 Ga I3 O6 S6
• SMILES: [Ga]([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 study
• 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 - 1753
• a: 10.9272 ± 0.0013 Å
• b: 10.9272 ± 0.0013 Å
• c: 23.868 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2468.1 ± 0.6 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: 0.0616
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No