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Information card for entry 7059480
Preview
Coordinates | 7059480.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H36 N14 Ni O6 |
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Calculated formula | C24 H36 N14 Ni O6 |
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 | 8.3309 ± 0.0004 Å |
b | 9.7597 ± 0.0004 Å |
c | 18.0944 ± 0.0011 Å |
α | 90° |
β | 98.938 ± 0.005° |
γ | 90° |
Cell volume | 1453.34 ± 0.13 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0849 |
Residual factor for significantly intense reflections | 0.07 |
Weighted residual factors for significantly intense reflections | 0.1762 |
Weighted residual factors for all reflections included in the refinement | 0.186 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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