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Information card for entry 4068299
Preview
Coordinates | 4068299.cif |
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Original paper (by DOI) | HTML |
Formula | C17.33 H25.67 Br2 Cl0.67 N3 Ni |
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Calculated formula | C17.3333 H25.6667 Br2 Cl0.666667 N3 Ni |
SMILES | [Ni]1(Br)(Br)[n]2ccccc2Cn2[n]1c(cc2C(C)(C)C)C(C)(C)C.C(Cl)Cl |
Title of publication | (Pyrazol-1-ylmethyl)pyridine Nickel Complexes: Ethylene Oligomerization and Unusual Friedel−Crafts Alkylation Catalysts |
Authors of publication | Ojwach, Stephen O.; Guzei, Ilia A.; Benade, Letitia L.; Mapolie, Selwyn F.; Darkwa, James |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 7 |
Pages of publication | 2127 |
a | 12.0603 ± 0.0005 Å |
b | 14.862 ± 0.0006 Å |
c | 19.0284 ± 0.0008 Å |
α | 112.411 ± 0.001° |
β | 96.309 ± 0.001° |
γ | 96.009 ± 0.001° |
Cell volume | 3093.8 ± 0.2 Å3 |
Cell temperature | 105 ± 2 K |
Ambient diffraction temperature | 105 ± 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 | 0.0296 |
Residual factor for significantly intense reflections | 0.0229 |
Weighted residual factors for significantly intense reflections | 0.0537 |
Weighted residual factors for all reflections included in the refinement | 0.0561 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.977 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | Mo-Kα |
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/4068299.html
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