Information card for entry 4065421

Structure parameters

• Formula: C55 H86 Li2 N2 O5
• Calculated formula: C55 H86 Li2 N2 O5
• SMILES: [Li]12([O]3CCCC3)[O](c3c(cc(cc3C(C)(C)C)C(C)(C)C)/C(=N/c3c(C(C)C)cccc3C(C)C)[N]13c1c(C(C)C)cccc1C(C)C)[Li]3([O]1CCCC1)[O]12CCCC1.O1CCCC1
• 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: 13.8435 ± 0.0007 Å
• b: 18.9577 ± 0.0009 Å
• c: 40.02 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10502.9 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1657
• Residual factor for significantly intense reflections: 0.0886
• Weighted residual factors for significantly intense reflections: 0.2188
• Weighted residual factors for all reflections included in the refinement: 0.2657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No