Information card for entry 4082092

Structure parameters

• Formula: C43 H63 Cl2 N2 O3 Y
• Calculated formula: C43 H63 Cl2 N2 O3 Y
• SMILES: C1(c2ccccc2)=[N](c2c(cccc2C(C)C)C(C)C)[Y]([O]2CCCC2)([O]2CCCC2)(Cl)(N1c1c(cccc1C(C)C)C(C)C)([O]1CCCC1)Cl
• 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: 16.431 ± 0.005 Å
• b: 17.865 ± 0.006 Å
• c: 14.908 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4376 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1162
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0892
• 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