Information card for entry 4082090

Structure parameters

• Formula: C39 H55 Cl2 N2 O2 Sc
• Calculated formula: C39 H55 Cl2 N2 O2 Sc
• SMILES: [Sc]1([N](c2c(cccc2C(C)C)C(C)C)=C(c2ccccc2)N1c1c(cccc1C(C)C)C(C)C)([O]1CCCC1)([O]1CCCC1)(Cl)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: 10.616 ± 0.006 Å
• b: 17.064 ± 0.01 Å
• c: 22.178 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4018 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1074
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No