Information card for entry 7052515

Structure parameters

• Formula: C77 H66 Al N O8 Si6
• Calculated formula: C77 H66 Al N O8 Si6
• SMILES: [Si]1(O[Al]2(O[Si](O[Si](O[Si](O2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)O[Si](O[Si](O1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[nH+]1ccccc1
• Title of publication: A convenient route to anionic and cyclic aluminosiloxanes: crystal structures of [PyH][Al{OSiPh2(OSiPh2)2O}2] and the first twelve-membered organic aluminosilicate Al2Si4O6 ring
• Authors of publication: Gun'ko, Yurii K.; Reilly, Roisin; Kessler, Vadim G.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2001
• Journal volume: 25
• Journal issue: 4
• Pages of publication: 528 - 530
• a: 11.88 ± 0.0009 Å
• b: 15.0636 ± 0.0012 Å
• c: 20.7172 ± 0.0017 Å
• α: 93.716 ± 0.002°
• β: 93.872 ± 0.002°
• γ: 107.226 ± 0.002°
• Cell volume: 3519.1 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.115
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No