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Information card for entry 7004467
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Coordinates | 7004467.cif |
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Original paper (by DOI) | HTML |
Common name | (2-(5-methyl-2-benzo(d)oxazole)-6-methylpyridin)dichloronickel |
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Chemical name | [2-(5-methyl-2-benzo[d]oxazole)-6-methylpyridin]dichloronickel |
Formula | C16 H20 Cl2 N2 Ni O3 |
Calculated formula | C16 H20 Cl2 N2 Ni O3 |
SMILES | [Ni]1(Cl)(Cl)([n]2c(oc3c2cc(cc3)C)c2[n]1c(ccc2)C)([OH]C)[OH]C |
Title of publication | Synthesis of benzoxazolylpyridine nickel complexes and their efficient dimerization of ethylene to α-butene |
Authors of publication | Gao, Rong; Xiao, Liwei; Hao, Xiang; Sun, Wen-Hua; Wang, Fosong |
Journal of publication | Dalton Transactions |
Year of publication | 2008 |
Journal issue | 41 |
Pages of publication | 5645 - 5651 |
a | 9.988 ± 0.002 Å |
b | 10.365 ± 0.002 Å |
c | 10.77 ± 0.002 Å |
α | 83.24 ± 0.03° |
β | 64.24 ± 0.03° |
γ | 66.1 ± 0.03° |
Cell volume | 915.8 ± 0.5 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 | 0.0438 |
Residual factor for significantly intense reflections | 0.0373 |
Weighted residual factors for significantly intense reflections | 0.0856 |
Weighted residual factors for all reflections included in the refinement | 0.0888 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.171 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7004467.html
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