Information card for entry 7114463

Structure parameters

• Formula: C12 H24 Al2 O38.33 S6
• Calculated formula: C12 H24 Al2 O38.4 S6
• Title of publication: An open channel coordination framework sustained by cooperative primary and secondary sphere interactions
• Authors of publication: Dalrymple, Sean A.; Shimizu, George K. H.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 19
• Pages of publication: 2224
• a: 11.9858 ± 0.0017 Å
• b: 11.9858 ± 0.0017 Å
• c: 24.641 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3065.7 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.0884
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1805
• Weighted residual factors for all reflections included in the refinement: 0.1978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No