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Information card for entry 1551576
Preview
| Coordinates | 1551576.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H30 N4 Ni O8 |
|---|---|
| Calculated formula | C32 H30 N4 Ni O8 |
| SMILES | C1(C(c2ccc(cc2)OC)=[N]([Ni]2([N]=1O)N(=C(C(c1ccc(OC)cc1)=N2=O)c1ccc(OC)cc1)=O)O)c1ccc(cc1)OC |
| Title of publication | Crystal Structure of the Bis[bis(<i>p</i>-methoxyphenyl)glyoximato]nickel(II) Complex |
| Authors of publication | UEJI, Kan; SHINOZAKI, Satsuki; MIYAMURA, Kazuo |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2017 |
| Journal volume | 33 |
| Journal issue | 0 |
| Pages of publication | 71 |
| a | 17.6548 ± 0.0012 Å |
| b | 19.0788 ± 0.0013 Å |
| c | 9.2011 ± 0.0009 Å |
| α | 90° |
| β | 103.547 ± 0.002° |
| γ | 90° |
| Cell volume | 3013 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.153 |
| Residual factor for significantly intense reflections | 0.0683 |
| Weighted residual factors for significantly intense reflections | 0.1454 |
| Weighted residual factors for all reflections included in the refinement | 0.1821 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1551576.cif |
| 216186 | 2019-06-20 | cif/ Adding structures of 1551576 via cif-deposit CGI script. |
1551576.cif |
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Users of the data should acknowledge the original authors of the
structural data.