Information card for entry 7025238

Structure parameters

• Formula: C37 H61 N2 O Si2 Y
• Calculated formula: C37 H61 N2 O Si2 Y
• SMILES: [Y]12345([N](c6c(cccc6C(C)C)C(C)C)=Cc6n1ccc6)([O]1CCCC1)([c]1([c]2([c]3([c]4([c]51[Si](C)(C)C)C)C)C)C)C[Si](C)(C)C
• Title of publication: The behavior of pyrrolyl ligands within the rare-earth metal alkyl complexes. Insertion of C=N and C=O double bonds into Ln-sigma-C bonds.
• Authors of publication: Yang, Yi; Cui, Dongmei; Chen, Xuesi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 16
• Pages of publication: 3959 - 3967
• a: 10.1398 ± 0.0006 Å
• b: 18.4371 ± 0.0011 Å
• c: 20.6375 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3858.1 ± 0.4 ų
• Cell temperature: 187 ± 2 K
• Ambient diffraction temperature: 187 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 0.582
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No