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Information card for entry 4070147
Preview
Coordinates | 4070147.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C53 H73 N4 O5 Yb |
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Calculated formula | C53 H73 N4 O5 Yb |
SMILES | [Yb]123456789%10([O]=C(N(C(=O)N2c2[n]1cccc2)c1c(cccc1C(C)C)C(C)C)Nc1c(cccc1C(C)C)C(C)C)([cH]1[cH]%10[cH]5[cH]4[cH]31)[cH]1[cH]9[cH]8[cH]7[cH]61.O1CCCC1.O1CCCC1.O1CCCC1 |
Title of publication | Lanthanide-Induced Diinsertion of Isocyanates into the N−H Bond: Synthesis, Structure, and Reactivity of Organolanthanides Containing Diureido Ligands |
Authors of publication | Sun, Yan; Zhang, Zhengxing; Wang, Xu; Li, Xiaoqing; Weng, Linhong; Zhou, Xigeng |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 21 |
Pages of publication | 6320 |
a | 13.127 ± 0.006 Å |
b | 9.974 ± 0.004 Å |
c | 39.854 ± 0.017 Å |
α | 90° |
β | 98.49 ± 0.006° |
γ | 90° |
Cell volume | 5161 ± 4 Å3 |
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 | 0.1445 |
Residual factor for significantly intense reflections | 0.0972 |
Weighted residual factors for significantly intense reflections | 0.267 |
Weighted residual factors for all reflections included in the refinement | 0.2919 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4070147.html
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Users of the data should acknowledge the original authors of the
structural data.