Information card for entry 4318290

Structure parameters

• Common name: Triethylammonium fac-Tris[benzilato(2-)-O1,O2]silicate-Hemi-1,4-dioxane
• Formula: C56 H66 N2 O10 Si
• Calculated formula: C56 H66 N2 O10 Si
• Title of publication: The Hexacoordinate Silicate Dianions mer-Tris[glycolato(2-)-O1,O2]silicate and fac-Tris[benzilato(2-)-O1,O2]silicate: Syntheses and Structural Characterization
• Authors of publication: Ingo Richter; Martin Penka; Reinhold Tacke
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3950 - 3955
• a: 40.633 ± 0.008 Å
• b: 13.055 ± 0.003 Å
• c: 19.257 ± 0.004 Å
• α: 90°
• β: 97.99 ± 0.03°
• γ: 90°
• Cell volume: 10116 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No