Information card for entry 4306151

Structure parameters

• Formula: C73 H80 N3 O4 Y
• Calculated formula: C73 H80 N3 O4 Y
• SMILES: C1(c2c3ccccc3ccc2)N(c2c(cccc2C(C)C)C(C)C)[Y]23([O]=C(c4c5ccccc5ccc4)N2c2c(cccc2C(C)C)C(C)C)([O]=C(c2c4ccccc4ccc2)N3c2c(cccc2C(C)C)C(C)C)([O]2CCCC2)[O]=1
• Title of publication: Rare-Earth Amidate Complexes. Easily Accessed Initiators For ε-Caprolactone Ring-Opening Polymerization
• Authors of publication: Louisa J. E. Stanlake; J. David Beard; Laurel L. Schafer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 8062 - 8068
• a: 13.782 ± 0.0011 Å
• b: 33.598 ± 0.003 Å
• c: 16.0575 ± 0.0012 Å
• α: 90°
• β: 98.762 ± 0.003°
• γ: 90°
• Cell volume: 7348.6 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.104
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1649
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No