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Information card for entry 8106143
Preview
| Coordinates | 8106143.cif | 
|---|---|
| Original paper (by DOI) | HTML | 
| Formula | C18 H22 N4 Ni O6 | 
|---|---|
| Calculated formula | C18 H22 N4 Ni O6 | 
| SMILES | [Ni]12([n]3c(C(=[N]1O)C)cccc3)([n]1c(C(=[N]2O)C)cccc1)(OC(=O)C)OC(=O)C | 
| Title of publication | Crystal structure of bis(acetato-κO)-bis(1-(pyridin-2-yl)ethan-1-one oxime-κ2 N,N′)nickel(II), C18H22N4NiO6 | 
| Authors of publication | Zuo, Jian | 
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures | 
| Year of publication | 2018 | 
| Journal volume | 233 | 
| Journal issue | 2 | 
| Pages of publication | 329 - 330 | 
| a | 9.3398 ± 0.0013 Å | 
| b | 9.9707 ± 0.0011 Å | 
| c | 12.0063 ± 0.0018 Å | 
| α | 89.829 ± 0.003° | 
| β | 71.931 ± 0.002° | 
| γ | 74.243 ± 0.002° | 
| Cell volume | 1019 ± 0.2 Å3 | 
| Cell temperature | 298 ± 2 K | 
| Ambient diffraction temperature | 298 ± 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 | 0.0653 | 
| Residual factor for significantly intense reflections | 0.0472 | 
| Weighted residual factors for significantly intense reflections | 0.1183 | 
| Weighted residual factors for all reflections included in the refinement | 0.1305 | 
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 | 
| Diffraction radiation wavelength | 0.71073 Å | 
| Diffraction radiation type | MoKα | 
| Has coordinates | Yes | 
| Has disorder | No | 
| Has Fobs | No | 
| Revision | Date | Message | Files | 
|---|---|---|---|
| 279363 (current) | 2022-11-17 | cif/ Adding structures of 8106143 via cif-deposit CGI script. | 8106143.cif | 
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          Users of the data should acknowledge the original authors of the
          structural data.