Information card for entry 4082089

Structure parameters

• Formula: C66 H86 Li2 N4 O
• Calculated formula: C66 H86 Li2 N4 O
• SMILES: [Li]1(N(C(=[N]1c1c(cccc1C(C)C)C(C)C)c1ccccc1)c1c(cccc1C(C)C)C(C)C)N1C(=[N]([Li]2([O]3CCCC3)[C]31=[C]2(C=CC=C3C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)c1ccccc1
• Title of publication: Synthesis, Structural Characterization, and Reactivity of Mono(amidinate) Rare-Earth-Metal Bis(aminobenzyl) Complexes
• Authors of publication: Hong, Jianquan; Zhang, Lixin; Wang, Kai; Chen, Zhenxia; Wu, Limin; Zhou, Xigeng
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 24
• Pages of publication: 7312
• a: 13.507 ± 0.005 Å
• b: 22.736 ± 0.009 Å
• c: 21.868 ± 0.008 Å
• α: 90°
• β: 103.597 ± 0.006°
• γ: 90°
• Cell volume: 6527 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1703
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No