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Information card for entry 1558167
Preview
Coordinates | 1558167.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C73 H57 Br2 Cl3 N2 Ni O |
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Calculated formula | C73 H57 Br2 Cl3 N2 Ni O |
SMILES | Br[Ni]1(Br)[N](=C(C(=[N]1c1c(C(c2ccccc2)c2ccccc2)cc(cc1C(c1ccccc1)c1ccccc1)C)C)C)c1c2c(c(OC)c3c1C1c4ccccc4C3c3c1cccc3)C1c3c(C2c2c1cccc2)cccc3.ClC(Cl)Cl |
Title of publication | Comprehensive studies of the ligand electronic effect on unsymmetrical α-diimine nickel(ii) promoted ethylene (co)polymerizations |
Authors of publication | Hu, Xiaoqiang; Wang, Chaoqun; Jian, Zhongbao |
Journal of publication | Polymer Chemistry |
Year of publication | 2020 |
Journal volume | 11 |
Journal issue | 24 |
Pages of publication | 4005 - 4012 |
a | 26.3082 ± 0.0011 Å |
b | 13.2167 ± 0.0006 Å |
c | 19.661 ± 0.0008 Å |
α | 90° |
β | 94.33 ± 0.002° |
γ | 90° |
Cell volume | 6816.8 ± 0.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0568 |
Residual factor for significantly intense reflections | 0.0552 |
Weighted residual factors for significantly intense reflections | 0.1477 |
Weighted residual factors for all reflections included in the refinement | 0.1492 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/1558167.html
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