Information card for entry 7716828
| Formula |
C59 H30.2 N14 Ni S4 |
| Calculated formula |
C44 H15.2 N11 Ni S4 |
| Title of publication |
Structural Modification of Nickel Tetra(thiocyano)corroles during Electrochemical Water Oxidation |
| Authors of publication |
Nayak, Panisha; Singh, Ajit Kumar; Nayak, Manisha; Kar, Subhajit; Sahu, Kasturi; Meena, Kiran; Topwal, Dinesh; Indra, Arindam; Kar, Sanjib |
| Journal of publication |
Dalton Transactions |
| Year of publication |
2024 |
| a |
13.5052 ± 0.0003 Å |
| b |
16.0286 ± 0.0004 Å |
| c |
25.3258 ± 0.0007 Å |
| α |
97.682 ± 0.002° |
| β |
102.718 ± 0.002° |
| γ |
90.036 ± 0.002° |
| Cell volume |
5297.2 ± 0.2 Å3 |
| Cell temperature |
100.01 ± 0.11 K |
| Ambient diffraction temperature |
100.01 ± 0.11 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.1171 |
| Residual factor for significantly intense reflections |
0.0799 |
| Weighted residual factors for significantly intense reflections |
0.1983 |
| Weighted residual factors for all reflections included in the refinement |
0.2314 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.0907 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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