Information card for entry 4088599

Structure parameters

• Formula: C68 H108 Cl2 Li2 N6 O6 Si4 Yb2
• Calculated formula: C68 H108 Cl2 Li2 N6 O6 Si4 Yb2
• SMILES: c1c2c3c(cccc3)[n]1([Li]1([O]3CCCC3)[O]3CCCC3)[Yb]3(N(c4ccccc4C)[C@@H](C[Si](N3[Si](C)(C)C)(C)C)c3c[n](c4c3cccc4)([Li]3([O]4CCCC4)[O]4CCCC4)[Yb]4(N([C@H]2C[Si](N4[Si](C)(C)C)(C)C)c2ccccc2C)([O]2CCCC2)[Cl]3)([O]2CCCC2)[Cl]1.c1c2c3c(cccc3)[n]1([Li]1([O]3CCCC3)[O]3CCCC3)[Yb]3(N(c4ccccc4C)[C@H](C[Si](N3[Si](C)(C)C)(C)C)c3c[n](c4c3cccc4)([Li]3([O]4CCCC4)[O]4CCCC4)[Yb]4(N([C@@H]2C[Si](N4[Si](C)(C)C)(C)C)c2ccccc2C)([O]2CCCC2)[Cl]3)([O]2CCCC2)[Cl]1
• Title of publication: Reactivity of 3-Imino-Functionalized Indoles with Rare-Earth-Metal Amides: Unexpected Substituent Effects on C‒H Activation Pathways and Assembly of Rare-Earth-Metal Complexes
• Authors of publication: Zhu, Xiancui; Li, Yang; Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Zhang, Lijun
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 11
• Pages of publication: 1838
• a: 18.1701 ± 0.0009 Å
• b: 18.4035 ± 0.0009 Å
• c: 23.7815 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7952.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No