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Information card for entry 4516837
Preview
Coordinates | 4516837.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H32 B Cl2 Cr F20 O4 |
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Calculated formula | C40 H32 B Cl2 Cr F20 O4 |
SMILES | [B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.C1CCC[O]1[Cr]([O]1CCCC1)(Cl)([O]1CCCC1)([O]1CCCC1)Cl |
Title of publication | Methylaluminoxane-Free Chromium Catalytic System for Ethylene Tetramerization. |
Authors of publication | Kim, Eun Ho; Lee, Hyun Mo; Jeong, Myoung Sun; Ryu, Ji Yeon; Lee, Junseong; Lee, Bun Yeoul |
Journal of publication | ACS omega |
Year of publication | 2017 |
Journal volume | 2 |
Journal issue | 3 |
Pages of publication | 765 - 773 |
a | 17.0405 ± 0.0003 Å |
b | 17.0405 ± 0.0003 Å |
c | 28.3198 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 8223.5 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 120 |
Hermann-Mauguin space group symbol | I -4 c 2 |
Hall space group symbol | I -4 -2c |
Residual factor for all reflections | 0.0752 |
Residual factor for significantly intense reflections | 0.038 |
Weighted residual factors for significantly intense reflections | 0.0654 |
Weighted residual factors for all reflections included in the refinement | 0.0745 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
Diffraction radiation wavelength | 0.71073 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/4516837.html
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Users of the data should acknowledge the original authors of the
structural data.