Information card for entry 4060451

Structure parameters

• Formula: C111 H208 N8 O24 Si16
• Calculated formula: C111 H208 N8 O24 Si16
• SMILES: [Si](N([Si](C)(C)C)c1c(cccc1CC)CC)(O)(O)O.O.Cc1ccccc1
• Title of publication: Synthesis, Spectral Studies, and Structural Characterization of a New Organosilanetriol, Its Amine Complexes, and a Surface Lewis Basic Cubic Aluminosilicate
• Authors of publication: Prabusankar, Ganesan; Murugavel, Ramaswamy; Butcher, Ray J.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 9
• Pages of publication: 2124 - 2128
• a: 16.342 ± 0.003 Å
• b: 30.139 ± 0.006 Å
• c: 29.457 ± 0.006 Å
• α: 90°
• β: 102.68 ± 0.03°
• γ: 90°
• Cell volume: 14155 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1082
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1525
• Weighted residual factors for all reflections included in the refinement: 0.1709
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No