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Information card for entry 1573881
Preview
Coordinates | 1573881.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C64 H88 N4 Ni O2 S4 |
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Calculated formula | C64 H88 N4 Ni O2 S4 |
Title of publication | Azolium-2-dithiocarboxylates as redox active ligands in nickel chemistry |
Authors of publication | Luff, Martin Simon; Filipovic, Tin M.; Corsei, Celine S.; Oppel, Kai; Krummenacher, Ivo; Bertermann, Rüdiger; Finze, Maik; Braunschweig, Holger; Radius, Udo |
Journal of publication | Chemical Science |
Year of publication | 2025 |
a | 10.3602 ± 0.0001 Å |
b | 22.0224 ± 0.0002 Å |
c | 13.6369 ± 0.0001 Å |
α | 90° |
β | 91.721 ± 0.001° |
γ | 90° |
Cell volume | 3109.94 ± 0.05 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0333 |
Residual factor for significantly intense reflections | 0.0304 |
Weighted residual factors for significantly intense reflections | 0.0768 |
Weighted residual factors for all reflections included in the refinement | 0.0785 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
297685 (current) | 2025-02-12 | cif/ Adding structures of 1573879, 1573880, 1573881, 1573882, 1573883, 1573884, 1573885, 1573886, 1573887, 1573888, 1573889 via cif-deposit CGI script. |
1573881.cif |
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Users of the data should acknowledge the original authors of the
structural data.