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Information card for entry 7040982
Preview
Coordinates | 7040982.cif |
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Original paper (by DOI) | HTML |
Formula | C58 H49 Br2 F5 N2 Ni O |
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Calculated formula | C58 H49 Br2 F5 N2 Ni O |
SMILES | Br[Ni]1(Br)[N](c2c(cccc2CC)CC)=C2C(=[N]1c1c(C(c3ccc(F)cc3)c3ccc(F)cc3)cc(F)cc1C(c1ccc(F)cc1)c1ccc(F)cc1)c1cccc3cccc2c13.O(CC)CC |
Title of publication | Raising the N-aryl fluoride content in unsymmetrical diaryliminoacenaphthylenes as a route to highly active nickel(ii) catalysts in ethylene polymerization. |
Authors of publication | Wang, Xinxin; Fan, Linlin; Yuan, Yichun; Du, Shizhen; Sun, Yang; Solan, Gregory A.; Guo, Cun-Yue; Sun, Wen-Hua |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 45 |
Pages of publication | 18313 - 18323 |
a | 10.625 ± 0.002 Å |
b | 19.234 ± 0.004 Å |
c | 24.652 ± 0.005 Å |
α | 90° |
β | 92.87 ± 0.03° |
γ | 90° |
Cell volume | 5031.6 ± 1.7 Å3 |
Cell temperature | 173.15 K |
Ambient diffraction temperature | 173.15 K |
Number of distinct elements | 7 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0579 |
Residual factor for significantly intense reflections | 0.0498 |
Weighted residual factors for significantly intense reflections | 0.0946 |
Weighted residual factors for all reflections included in the refinement | 0.0985 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.135 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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