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Information card for entry 2023141
Preview
| Coordinates | 2023141.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | (6,9-Diacetyl-5,10,15,20-tetraphenylsecochlorinato)nickel(II) |
|---|---|
| Formula | C46 H32 N4 Ni O2 |
| Calculated formula | C46 H32 N4 Ni O2 |
| Title of publication | Crystal structure of (6,9-diacetyl-5,10,15,20-tetraphenylsecochlorinato)nickel(II) |
| Authors of publication | Sharma, Meenakshi; Brückner, Christian; Zeller, Matthias |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 6 |
| a | 14.1382 ± 0.0005 Å |
| b | 15.3202 ± 0.0005 Å |
| c | 18.3835 ± 0.0007 Å |
| α | 72.09 ± 0.0018° |
| β | 69.6031 ± 0.0019° |
| γ | 74.6737 ± 0.0018° |
| Cell volume | 3495.8 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 | 0.061 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.0915 |
| Weighted residual factors for all reflections included in the refinement | 0.103 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 292031 (current) | 2024-05-25 | cif/ Adding structures of 2023141 via cif-deposit CGI script. |
2023141.cif |
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