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Information card for entry 4087184
Preview
Coordinates | 4087184.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H44 Br2 Cl2 N2 Ni |
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Calculated formula | C39 H44 Br2 Cl2 N2 Ni |
SMILES | Br[Ni]1(Br)[N](=C2C(=[N]1c1c(cccc1C(C)C)C(C)C)c1c3c2ccc2c3c(cc1)CC2)c1c(cccc1C(C)C)C(C)C.ClCCl |
Title of publication | Insight into the Mechanism of Thermal Stability of α-Diimine Nickel Complex in Catalyzing Ethylene Polymerization |
Authors of publication | Zhu, Liang; Zang, Dandan; Wang, Yi; Guo, Yintian; Jiang, Baiyu; He, Feng; Fu, Zhisheng; Fan, Zhiqiang; Hickner, Michael A.; Liu, Zi-Kui; Chen, Long-Qing |
Journal of publication | Organometallics |
Year of publication | 2017 |
Journal volume | 36 |
Journal issue | 6 |
Pages of publication | 1196 |
a | 11.4848 ± 0.0004 Å |
b | 14.0729 ± 0.0005 Å |
c | 23.3388 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3772.1 ± 0.2 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 170 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0412 |
Residual factor for significantly intense reflections | 0.033 |
Weighted residual factors for significantly intense reflections | 0.0702 |
Weighted residual factors for all reflections included in the refinement | 0.0739 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
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/4087184.html
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