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Information card for entry 7020222
Preview
Coordinates | 7020222.cif |
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Original paper (by DOI) | HTML |
Formula | C78 H64 Br2 N4 Ni |
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Calculated formula | C78 H64 Br2 N4 Ni |
SMILES | Br[Ni]12([n]3ccccc3C=[N]1c1c(C(c3ccccc3)c3ccccc3)cc(cc1C(c1ccccc1)c1ccccc1)C)([n]1ccccc1C=[N]2c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1)Br |
Title of publication | Ethylene polymerization by 2-iminopyridylnickel halide complexes: synthesis, characterization and catalytic influence of the benzhydryl group. |
Authors of publication | Sun, Wen-Hua; Song, Shengju; Li, Baixiang; Redshaw, Carl; Hao, Xiang; Li, Yue-Sheng; Wang, Fosong |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2012 |
Journal volume | 41 |
Journal issue | 39 |
Pages of publication | 11999 - 12010 |
a | 11.955 ± 0.002 Å |
b | 12.075 ± 0.002 Å |
c | 14.474 ± 0.003 Å |
α | 94.8 ± 0.03° |
β | 112.89 ± 0.03° |
γ | 93.79 ± 0.03° |
Cell volume | 1907 ± 0.8 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for significantly intense reflections | 0.0538 |
Weighted residual factors for significantly intense reflections | 0.1486 |
Weighted residual factors for all reflections included in the refinement | 0.1538 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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