Information card for entry 4339118

Structure parameters

• Formula: C70 H86 Al Cl Li O11 Sc Si4
• Calculated formula: C70 H86 Al Cl Li O11 Sc Si4
• SMILES: [Sc]123(Cl)([O]4[Al](C)(C)[O]1[Si](O[Si]([O]2[Li]([O]3[Si](O[Si]4(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([O]1CCCC1)[O]1CCCC1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[O]1CCCC1.O1CCCC1.O1CCCC1
• Title of publication: Unusual inorganic ring systems of scandium and yttrium containing group 13 Metals: coordination of monomeric Me(2)InOMe to yttrium.
• Authors of publication: Giessmann, Stephan; Blaurock, Steffen; Lorenz, Volker; Edelmann, Frank T.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 26
• Pages of publication: 10956 - 10958
• a: 28.68 ± 0.006 Å
• b: 22.212 ± 0.004 Å
• c: 25.817 ± 0.005 Å
• α: 90°
• β: 117.09 ± 0.03°
• γ: 90°
• Cell volume: 14642 ± 6 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1652
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.1719
• Goodness-of-fit parameter for all reflections included in the refinement: 0.725
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No