Information card for entry 7000473

Structure parameters

• Formula: C41 H69 Al N2 O4 Si
• Calculated formula: C41 H69 Al N2 O4 Si
• SMILES: [AlH]1([N](=C(C=C(C)N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C
• Title of publication: Solubilizing functionalized molecular aluminosilicates
• Authors of publication: Rascón-Cruz, Fernando; Huerta-Lavorie, Raúl; Jancik, Vojtech; Toscano, Rubén Alfredo; Cea-Olivares, Raymundo
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 7
• Pages of publication: 1195 - 1200
• a: 12.061 ± 0.002 Å
• b: 19.621 ± 0.003 Å
• c: 18.028 ± 0.003 Å
• α: 90°
• β: 90.4 ± 0.02°
• γ: 90°
• Cell volume: 4266.2 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0861
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No