Information card for entry 7000959

Structure parameters

• Formula: C82 H124 N4 O4 Yb2
• Calculated formula: C82 H124 N4 O4 Yb2
• SMILES: C1C[N]2(Cc3c(c(cc(c3)C(C)(C)C)C(C)(C)C)[O]3[Yb]42([N]1(Cc1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O4)C)[O]1c2c(C[N]4(CC[N]5(Cc6c(c(cc(c6)C(C)(C)C)C(C)(C)C)O[Yb]3145)C)C)cc(cc2C(C)(C)C)C(C)(C)C)C.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: Coordination of substitutionally inert phenolate ligands to lanthanide(ii) and (iii) compounds—catalysts for ring-opening polymerization of cyclic esters
• Authors of publication: Binda, Pascal I.; Delbridge, Ewan E.; Abrahamson, Harmon B.; Skelton, Brian W.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 15
• Pages of publication: 2777 - 2787
• a: 28.8197 ± 0.0004 Å
• b: 9.0269 ± 0.0001 Å
• c: 30.232 ± 0.0005 Å
• α: 90°
• β: 91.433 ± 0.001°
• γ: 90°
• Cell volume: 7862.47 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0544
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No