Information card for entry 4082087

Structure parameters

• Formula: C35 H49 Li N2 O2
• Calculated formula: C35 H49 Li N2 O2
• SMILES: C(=[N]1c2c(cccc2C(C)C)C(C)C)(c2ccccc2)N([Li]12[O](CC[O]2C)C)c1c(cccc1C(C)C)C(C)C
• 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: 17.701 ± 0.009 Å
• b: 13.379 ± 0.007 Å
• c: 15.409 ± 0.008 Å
• α: 90°
• β: 103.322 ± 0.008°
• γ: 90°
• Cell volume: 3551 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1855
• Residual factor for significantly intense reflections: 0.0817
• Weighted residual factors for significantly intense reflections: 0.1866
• Weighted residual factors for all reflections included in the refinement: 0.2407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No