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Information card for entry 7059474
Preview
Coordinates | 7059474.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H32 F6 N8 Ni O8 S2 |
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Calculated formula | C18 H32 F6 N8 Ni O8 S2 |
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 | 7.8741 ± 0.0005 Å |
b | 9.1095 ± 0.0006 Å |
c | 11.9118 ± 0.0007 Å |
α | 102.589 ± 0.006° |
β | 108.164 ± 0.006° |
γ | 96.805 ± 0.005° |
Cell volume | 776.15 ± 0.09 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.041 |
Residual factor for significantly intense reflections | 0.0354 |
Weighted residual factors for significantly intense reflections | 0.0881 |
Weighted residual factors for all reflections included in the refinement | 0.0928 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7059474.html
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