Information card for entry 4302091

Structure parameters

• Formula: C40 H78 B2 Li N2 O6 Y
• Calculated formula: C40 H78 B2 Li N2 O6 Y
• SMILES: [Y]1234567(N(c8c(cccc8C(C)C)C(C)C)[C]3(=[C]7(N4c4c(cccc4C(C)C)C(C)C)C)C)([H][BH]([H]1)[H]2)[H][BH]([H]5)[H]6.[O]1([Li]23([O](C)CC1)([O](CC[O]2C)C)[O](C)CC[O]3C)C
• Title of publication: Yttrium Complexes Supported by Linked Bis(amide) Ligand: Synthesis, Structure, and Catalytic Activity in the Ring-Opening Polymerization of Cyclic Esters
• Authors of publication: Tatyana V. Mahrova; Georgy K. Fukin; Anton V. Cherkasov; Alexander A. Trifonov; Noureddine Ajellal; Jean-François Carpentier
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 4258 - 4266
• a: 16.081 ± 0.0004 Å
• b: 16.8673 ± 0.0004 Å
• c: 35.3301 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9583 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0909
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No