Information card for entry 4321429

Structure parameters

• Formula: C112 H146 O10 Si2 Y2
• Calculated formula: C112 H146 O10 Si2 Y2
• SMILES: [Y]123(Oc4c5cc(C(C)(C)C)cc4Cc4c(c(cc(C(C)(C)C)c4)Cc4c(O2)c(Cc2c([O]1[Y]16(Oc7c8cc(C(C)(C)C)cc7Cc7c(c(cc(C(C)(C)C)c7)Cc7c(O6)c(Cc6c([O]31)c(C8)cc(c6)C(C)(C)C)cc(c7)C(C)(C)C)O[SiH](C)C)[O]1CCCC1)c(C5)cc(c2)C(C)(C)C)cc(c4)C(C)(C)C)O[SiH](C)C)[O]1CCCC1.c1ccccc1.c1ccccc1
• Title of publication: Yttrium Calix[4]arene Complexes. Silylation and Silylamine Elimination Reactions on Model Oxo Surfaces
• Authors of publication: Reiner Anwander; Jörg Eppinger; Iris Nagl; Wolfgang Scherer; Maxim Tafipolsky; Peter Sirsch
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 4713 - 4720
• a: 13.2625 ± 0.0004 Å
• b: 14.5894 ± 0.0003 Å
• c: 17.0458 ± 0.0005 Å
• α: 65.0986 ± 0.0014°
• β: 77.8786 ± 0.0008°
• γ: 85.5125 ± 0.0013°
• Cell volume: 2924.71 ± 0.14 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No