Information card for entry 4082098

Structure parameters

• Formula: C67 H81 N6 O3 Y
• Calculated formula: C67 H81 N6 O3 Y
• SMILES: [Y]123([N](=C(N1c1c(cccc1C(C)C)C(C)C)c1ccccc1)c1c(cccc1C(C)C)C(C)C)(N(C(=[O]2)Cc1c(N(C)C)cccc1)c1ccccc1)(N(C(=[O]3)Cc1c(N(C)C)cccc1)c1ccccc1)[O]1CCCC1
• 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: 15.809 ± 0.006 Å
• b: 18.126 ± 0.007 Å
• c: 21.266 ± 0.008 Å
• α: 90°
• β: 94.674 ± 0.005°
• γ: 90°
• Cell volume: 6074 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0929
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No