Information card for entry 2017896

Structure parameters

• Chemical name: Hexakis(adamantyltrimethylammonium) cyclooctasilicate tetratetracontahydrate
• Formula: C78 H234 N6 O64 Si8
• Calculated formula: C77.82 H233.7 N6 O64 Si8
• Title of publication: Hexakis(adamantyltrimethylammonium) cyclooctasilicate tetratetracontahydrate
• Authors of publication: Verlooy, Pieter L. H.; Robeyns, Koen; Van Meervelt, Luc; Kirschhock, Christine E. A.; Martens, Johan A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o619 - o622
• a: 15.5889 ± 0.0008 Å
• b: 15.9297 ± 0.0008 Å
• c: 16.2269 ± 0.0011 Å
• α: 60.863 ± 0.002°
• β: 72.511 ± 0.003°
• γ: 82.119 ± 0.002°
• Cell volume: 3356.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1782
• Weighted residual factors for all reflections included in the refinement: 0.1864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes