Information card for entry 7025239

Structure parameters

• Formula: C51 H84 N4 O4 Si4 Y2
• Calculated formula: C51 H84 N4 O4 Si4 Y2
• SMILES: [Y]123456789([N]%10%11[Y]%12%13%14%15([O](CC[O]%12C)C)([O](c%12c(N%14C([C]%145=[CH]4[CH]3=[CH]2[N]1%15%14)C[Si](C)(C)C)cccc%12)C)[O](c1c(N%13C([C]9%11=[CH]8[CH]7=[CH]6%10)C[Si](C)(C)C)cccc1)C)(C[Si](C)(C)C)C[Si](C)(C)C.c1(ccccc1)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: 12.7862 ± 0.0013 Å
• b: 21.816 ± 0.002 Å
• c: 21.621 ± 0.002 Å
• α: 90°
• β: 101.421 ± 0.002°
• γ: 90°
• Cell volume: 5911.6 ± 1 ų
• Cell temperature: 187 ± 2 K
• Ambient diffraction temperature: 187 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1849
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 0.671
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No