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Information card for entry 4083507
Preview
Coordinates | 4083507.cif |
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Original paper (by DOI) | HTML |
Chemical name | {2,6-Dimethyl-N-(1-(6-(benzo[d]oxazol-2-yl)pyridin- 2-yl)ethylidene)benzenamine} dibromonickel |
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Formula | C22 H19 Br2 N3 Ni O |
Calculated formula | C22 H19 Br2 N3 Ni O |
SMILES | Br[Ni]12(Br)[n]3c(C(=[N]1c1c(C)cccc1C)C)cccc3c1oc3c([n]21)cccc3 |
Title of publication | Nickel(II) Complexes Chelated by 2-Arylimino-6-benzoxazolylpyridine: Syntheses, Characterization, and Ethylene Oligomerization |
Authors of publication | Gao, Rong; Zhang, Min; Liang, Tongling; Wang, Fosong; Sun, Wen-Hua |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 21 |
Pages of publication | 5641 |
a | 9.2389 ± 0.0018 Å |
b | 9.817 ± 0.002 Å |
c | 11.656 ± 0.002 Å |
α | 91.31 ± 0.03° |
β | 98.99 ± 0.03° |
γ | 95.83 ± 0.03° |
Cell volume | 1038 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.076 |
Residual factor for significantly intense reflections | 0.0523 |
Weighted residual factors for significantly intense reflections | 0.09 |
Weighted residual factors for all reflections included in the refinement | 0.0957 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.139 |
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/4083507.html
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