Information card for entry 4065425

Structure parameters

• Formula: C66 H120 N6 Nd2 O2 Si4
• Calculated formula: C66 H120 N6 Nd2 O2 Si4
• SMILES: [Nd]123([N](C4CCCCC4)=C4[N]1(C1CCCCC1)[Nd]1(Oc5c4cc(C(C)(C)C)cc5C(C)(C)C)([N]2(C2CCCCC2)C(=[N]1C1CCCCC1)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O3)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C
• 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: 14.7571 ± 0.0014 Å
• b: 19.984 ± 0.002 Å
• c: 27.048 ± 0.002 Å
• α: 86.784 ± 0.004°
• β: 81.542 ± 0.004°
• γ: 84.192 ± 0.004°
• Cell volume: 7842.5 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.065
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1448
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No