Information card for entry 7004375

Structure parameters

• Formula: C66 H108 Cl6 Li2 N4 O5 Y2
• Calculated formula: C66 H108 Cl6 Li2 N4 O5 Y2
• SMILES: [Y]123([Cl][Y]45([Cl]2)([Cl][Li]([Cl]4)([O](CC)CC)[O](CC)CC)N(C(=CC(=[N]5c2c(cccc2)C(C)C)C)C)c2c(cccc2)C(C)C)([Cl][Li]([Cl]1)([O](CC)CC)[O](CC)CC)N(C(=CC(=[N]3c1c(cccc1)C(C)C)C)C)c1c(cccc1)C(C)C.O(CC)CC
• Title of publication: Syntheses, structures and reactions of a series of β-diketiminatoyttrium compounds
• Authors of publication: Wei, Xuehong; Cheng, Yanxiang; Hitchcock, Peter B.; Lappert, Michael F.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 38
• Pages of publication: 5235 - 5246
• a: 11.5518 ± 0.0003 Å
• b: 26.9951 ± 0.0007 Å
• c: 25.3522 ± 0.0007 Å
• α: 90°
• β: 95.19 ± 0.001°
• γ: 90°
• Cell volume: 7873.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.1393
• Residual factor for significantly intense reflections: 0.0985
• Weighted residual factors for significantly intense reflections: 0.1918
• Weighted residual factors for all reflections included in the refinement: 0.2078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No