Information card for entry 7025679

Structure parameters

• Formula: C30 H72 Al2 O8 Si2 Yb
• Calculated formula: C30 H72 Al2 O8 Si2 Yb
• SMILES: [Yb]12([O](C(C)(C)C)[Si]([O]2[Al](C)(C)C)(OC(C)(C)C)OC(C)(C)C)[O](C(C)(C)C)[Si]([O]1[Al](C)(C)C)(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: 9.8023 ± 0.0008 Å
• b: 10.2195 ± 0.0008 Å
• c: 23.429 ± 0.005 Å
• α: 98.697 ± 0.003°
• β: 91.808 ± 0.003°
• γ: 109.568 ± 0.001°
• Cell volume: 2177.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0761
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.2082
• Weighted residual factors for all reflections included in the refinement: 0.2116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No