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Information card for entry 7059481
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Coordinates | 7059481.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H28 Cl2 N12 Ni |
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Calculated formula | C18 H28 Cl2 N12 Ni |
Title of publication | Nickel(ii)-mediated cyanamide‒pyrazole coupling highlights distinct reactivity of NCNR2 and NCR nitrile ligands |
Authors of publication | Zelenkov, Lev E.; Kuznetsov, Maxim L.; Andrusenko, Elena V.; Avdontceva, Margarita S.; Starova, Galina L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2020 |
Journal volume | 44 |
Journal issue | 17 |
Pages of publication | 6979 - 6991 |
a | 19.9358 ± 0.0011 Å |
b | 9.2467 ± 0.0003 Å |
c | 16.9617 ± 0.001 Å |
α | 90° |
β | 126.983 ± 0.008° |
γ | 90° |
Cell volume | 2497.7 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0347 |
Residual factor for significantly intense reflections | 0.0302 |
Weighted residual factors for significantly intense reflections | 0.0688 |
Weighted residual factors for all reflections included in the refinement | 0.0715 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
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/7059481.html
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