Information card for entry 7117551

Structure parameters

• Formula: C40 H132 Al18 Ga2 O110.5 S8
• Calculated formula: C40 H132 Al18 Ga2 O110.5 S8
• Title of publication: Isolation and characterization of the [Ga2Al18O8(OH)36(H2O)12](8+) cluster: cationic variations on the Wells-Dawson topology.
• Authors of publication: Fairley, M.; Corum, K. W.; Johns, A.; Unruh, D. K.; Basile, M.; de Groot, J.; Mason, S. E.; Forbes, T. Z.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 62
• Pages of publication: 12467 - 12469
• a: 10.0721 ± 0.0007 Å
• b: 16.7628 ± 0.0011 Å
• c: 17.7945 ± 0.0012 Å
• α: 90.852 ± 0.002°
• β: 99.861 ± 0.002°
• γ: 101.175 ± 0.002°
• Cell volume: 2900.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No