Information card for entry 4115724

Structure parameters

• Formula: C53 H120 Al2 O20 P2 Si3
• Calculated formula: C53 H120 Al2 O20 P2 Si3
• SMILES: P1(=[O][Al](OP(=[O][Al](O1)(O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)C)(OC(C)(C)C)OC(C)(C)C
• Title of publication: An Efficient, Single-Source Molecular Precursor to Silicoaluminophosphates
• Authors of publication: Kyle L. Fujdala; T. Don Tilley
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 10133 - 10134
• a: 14.16 ± 0.002 Å
• b: 14.665 ± 0.003 Å
• c: 20.321 ± 0.003 Å
• α: 96.372 ± 0.003°
• β: 109.63 ± 0.003°
• γ: 102.714 ± 0.003°
• Cell volume: 3797.7 ± 1.1 ų
• Cell temperature: 155 ± 2 K
• Ambient diffraction temperature: 155 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2189
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections: 0.1192
• Weighted residual factors for significantly intense reflections: 0.089
• Goodness-of-fit parameter for all reflections: 0.74
• Goodness-of-fit parameter for significantly intense reflections: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No