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Information card for entry 8104620
Preview
| Coordinates | 8104620.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H26 N6 Ni O9 |
|---|---|
| Calculated formula | C26 H26 N6 Ni O9 |
| SMILES | [Ni]123(OC(=O)c4c(cccc4)C(=O)O1)([OH2])[n]1c(cc(cc1c1[n]2ccnc1)c1ccncc1)c1[n]3ccnc1.O.O.O.O |
| Title of publication | Crystal structure of the nickel(II) complex aqua-(2,6-di(pyrazin-2-yl)-4,4′-bipyridine-κ3 N,N′,N′′)-(phthalato-κ2 O,O′)nickel(II) tetrahydrate, C26H26N6O9Ni |
| Authors of publication | Yu-Fang, Wang; Zhang, Shu-Qi |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 5 |
| Pages of publication | 907 - 909 |
| a | 11.2329 ± 0.0005 Å |
| b | 11.7535 ± 0.0005 Å |
| c | 12.1109 ± 0.0007 Å |
| α | 70.936 ± 0.005° |
| β | 75.684 ± 0.004° |
| γ | 63.266 ± 0.004° |
| Cell volume | 1340.14 ± 0.13 Å3 |
| Cell temperature | 290 K |
| Ambient diffraction temperature | 290 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 | 0.0363 |
| Residual factor for significantly intense reflections | 0.0314 |
| Weighted residual factors for significantly intense reflections | 0.0721 |
| Weighted residual factors for all reflections included in the refinement | 0.0743 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273229 (current) | 2022-03-03 | cif/ Adding structures of 8104620 via cif-deposit CGI script. |
8104620.cif |
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Users of the data should acknowledge the original authors of the
structural data.