Information card for entry 4079029

Structure parameters

• Formula: C27 H60 Al2 Nd O4 P Si
• Calculated formula: C27 H60 Al2 Nd O4 P Si
• SMILES: [Nd]12345678(P9[C]5(=[C]4([C]3(=[C]19C)C)C)C)([CH3][Al]([CH3]6)(C)[CH3]8)[O]([Si]([O]2C(C)(C)C)(OC(C)(C)C)OC(C)(C)C)[Al]([CH3]7)(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: 15.8985 ± 0.0006 Å
• b: 16.4376 ± 0.0007 Å
• c: 27.0644 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7072.8 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No