Information card for entry 4065424

Structure parameters

• Formula: C86 H124 Li N4 O4 Y
• Calculated formula: C86 H124 Li N4 O4 Y
• SMILES: [Y]12([O]3CCCC3)(Oc3c(C(C)(C)C)cc(C(C)(C)C)cc3C(=N\c3c(C(C)C)cccc3C(C)C)/N1c1c(C(C)C)cccc1C(C)C)Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1C1=[N](c3c(C(C)C)cccc3C(C)C)[Li]3([c]4([c]3(cccc4C(C)C)C(C)C)N21)[O]1CCCC1
• Title of publication: Rare-Earth Complexes with Multidentate Tethered Phenoxy-Amidinate Ligands: Synthesis, Structure, and Activity in Ring-Opening Polymerization of Lactide
• Authors of publication: Sinenkov, Mikhail; Kirillov, Evgeny; Roisnel, Thierry; Fukin, Georgy; Trifonov, Alexander; Carpentier, Jean-François
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 20
• Pages of publication: 5509
• a: 15.7656 ± 0.0004 Å
• b: 16.5607 ± 0.0005 Å
• c: 20.7358 ± 0.0007 Å
• α: 69.097 ± 0.002°
• β: 86.053 ± 0.002°
• γ: 86.704 ± 0.002°
• Cell volume: 5042.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1056
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1619
• Weighted residual factors for all reflections included in the refinement: 0.1759
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No