Information card for entry 4082095

Structure parameters

• Formula: C52 H70 N5 Sc
• Calculated formula: C52 H70 N5 Sc
• SMILES: [Sc]123([N](=C(N1c1c(cccc1C(C)C)C(C)C)Cc1c(N(C)C)cccc1)c1c(cccc1C(C)C)C(C)C)([N](c1c(C2)cccc1)(C)C)[N](c1c(C3)cccc1)(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: 20.649 ± 0.006 Å
• b: 13.028 ± 0.004 Å
• c: 19.168 ± 0.006 Å
• α: 90°
• β: 113.175 ± 0.004°
• γ: 90°
• Cell volume: 4740 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1075
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No