Information card for entry 4065422

Structure parameters

• Formula: C43 H64 Cl2 N2 O3 Y
• Calculated formula: C43 H64 Cl2 N2 O3 Y
• SMILES: [Y]12(Cl)(Cl)(N(c3c(C(C)C)cccc3C(C)C)/C(=N/c3c(C(C)C)cccc3C(C)C)c3cc(C(C)(C)C)cc(C(C)(C)C)c3O1)[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: 33.412 ± 0.002 Å
• b: 15.6625 ± 0.0012 Å
• c: 31.822 ± 0.002 Å
• α: 90°
• β: 117.367 ± 0.002°
• γ: 90°
• Cell volume: 14789.2 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.142
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1586
• Weighted residual factors for all reflections included in the refinement: 0.1755
• Goodness-of-fit parameter for all reflections included in the refinement: 0.868
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No