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Information card for entry 4088594
Preview
Coordinates | 4088594.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C98 H140 Cl4 Er4 Li2 N14 O2 Si4 |
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Calculated formula | C98 H140 Cl4 Er4 Li2 N14 O2 Si4 |
SMILES | [c]123c4c5c(cccc5)n1[Er]12([O]2CCCC2)([Cl][Er]3([N](=C4)C(C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)n2cc(c3c2cccc3)C=[N]([Li]2)C(C)(C)C)(n3cc(c4c3cccc4)C=[N]2C(C)(C)C)[Cl][Er]23([c]45c(c6c(cccc6)n34)C=[N](C(C)(C)C)[Er]5(n3cc(c4c3cccc4)C=[N]([Li]3)C(C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)[Cl]2)(n2cc(c4c2cccc4)C=[N]3C(C)(C)C)([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 | 14.7238 ± 0.0017 Å |
b | 15.744 ± 0.003 Å |
c | 16.633 ± 0.003 Å |
α | 84.26 ± 0.001° |
β | 63.945 ± 0.007° |
γ | 78.768 ± 0.01° |
Cell volume | 3397.1 ± 1 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0434 |
Residual factor for significantly intense reflections | 0.0373 |
Weighted residual factors for significantly intense reflections | 0.085 |
Weighted residual factors for all reflections included in the refinement | 0.0888 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4088594.html
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