Information card for entry 7004376

Structure parameters

• Formula: C70 H116 Cl6 Li2 N4 O5 Y2
• Calculated formula: C70 H116 Cl6 Li2 N4 O5 Y2
• SMILES: [Y]123([Cl][Y]45(N(C(=CC(C)=[N]5c5c(cccc5)C(C)(C)C)C)c5c(cccc5)C(C)(C)C)([Cl]2)[Cl][Li]([O](CC)CC)([O](CC)CC)[Cl]4)(N(C(=CC(C)=[N]1c1c(cccc1)C(C)(C)C)C)c1c(cccc1)C(C)(C)C)[Cl][Li]([O](CC)CC)([O](CC)CC)[Cl]3.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: 30.2936 ± 0.0003 Å
• b: 13.7202 ± 0.0002 Å
• c: 22.7889 ± 0.0002 Å
• α: 90°
• β: 122.693 ± 0.001°
• γ: 90°
• Cell volume: 7971.29 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No