Information card for entry 7025677

Structure parameters

• Formula: C36 H84 Al2 O8 Si2 Yb
• Calculated formula: C36 H84 Al2 O8 Si2 Yb
• SMILES: [Yb]1234([O](C(C)(C)C)[Si]([O]1[Al]([CH2]2C)(CC)CC)(OC(C)(C)C)OC(C)(C)C)[O](C(C)(C)C)[Si]([O]3[Al]([CH2]4C)(CC)CC)(OC(C)(C)C)OC(C)(C)C
• Title of publication: Grafting of peralkylated Ln(II)Al(III) heterobimetallic complexes onto periodic mesoporous silica KIT-6.
• Authors of publication: Le Roux, Erwan; Michel, Olaf; Sommerfeldt, Hanne-Marthe; Liang, Yucang; Maichle-Mössmer, Cäcilia; Törnroos, Karl W; Anwander, Reiner
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 36
• Pages of publication: 8552 - 8559
• a: 36.5316 ± 0.0017 Å
• b: 21.0298 ± 0.001 Å
• c: 50.333 ± 0.002 Å
• α: 90°
• β: 90.474 ± 0.001°
• γ: 90°
• Cell volume: 38667 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.078
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.1458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.264
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No