Information card for entry 4302090

Structure parameters

• Formula: C40 H67 N2 O4 Y
• Calculated formula: C40 H67 N2 O4 Y
• SMILES: [Y]12(N(c3c(cccc3C(C)C)C(C)C)C(=C(N1c1c(cccc1C(C)C)C(C)C)C)C)(OC(C)(C)C)([O]1CCCC1)[O](C)CC[O]2C
• 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: 14.1204 ± 0.0004 Å
• b: 16.7843 ± 0.0005 Å
• c: 17.029 ± 0.0005 Å
• α: 90°
• β: 95.031 ± 0.001°
• γ: 90°
• Cell volume: 4020.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No