Information card for entry 4079030

Structure parameters

• Formula: C28 H66 Al2 O8 Si2
• Calculated formula: C28 H66 Al2 O8 Si2
• SMILES: C(C)(C)(C)O[Si]([O]1[Al](C)(C)[O]([Al]1(C)C)[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C
• Title of publication: Heterogenization of Lanthanum and Neodymium Monophosphacyclopentadienyl Bis(tetramethylaluminate) Complexes onto Periodic Mesoporous Silica SBA-15
• Authors of publication: Roux, Erwan Le; Liang, Yucang; Törnroos, Karl W.; Nief, François; Anwander, Reiner
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 18
• Pages of publication: 6526
• a: 14.36 ± 0.002 Å
• b: 14.585 ± 0.002 Å
• c: 9.2908 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1945.9 ± 0.5 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 34
• Hermann-Mauguin space group symbol: P n n 2
• Hall space group symbol: P 2 -2n
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1802
• Weighted residual factors for all reflections included in the refinement: 0.1813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No