Information card for entry 2223537

Structure parameters

• Chemical name: 1,8-Bis[3-(triethoxysilyl)propyl]-1,8-diazoniatricyclo[9.3.1.1^4,8^]hexadecane diiodide
• Formula: C30 H66 I2 N4 O6 Si2
• Calculated formula: C30 H66 I2 N4 O6 Si2
• Title of publication: 1,8-Bis[3-(triethoxysilyl)propyl]-1,8-diazoniatricyclo[9.3.1.1^4,8^]hexadecane diiodide
• Authors of publication: Rousselin, Yoann; Denat, Franck; Lebeau, Benedicte; Walcarius, Alain
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2531
• a: 15.0484 ± 0.0002 Å
• b: 8.4229 ± 0.0001 Å
• c: 16.5921 ± 0.0003 Å
• α: 90°
• β: 101.808 ± 0.001°
• γ: 90°
• Cell volume: 2058.56 ± 0.05 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes