Information card for entry 4065426

Structure parameters

• Formula: C58 H94 Li N4 O4 Y
• Calculated formula: C58 H94 Li N4 O4 Y
• SMILES: c12c(cc(cc2C(C)(C)C)C(C)(C)C)C2=[N](C3CCCCC3)[Y]34(O1)([N](C1CCCCC1)=C(c1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O4)[N]31C3CCCCC3)[N]2(C2CCCCC2)[Li]12[O](C)CC[O]2C
• 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: 15.6864 ± 0.0007 Å
• b: 16.1128 ± 0.0006 Å
• c: 25.0079 ± 0.0011 Å
• α: 90°
• β: 107.204 ± 0.002°
• γ: 90°
• Cell volume: 6038 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1301
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No