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Information card for entry 1551572
Preview
| Coordinates | 1551572.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C44 H58 N4 Ni2 O11 |
|---|---|
| Calculated formula | C44 H58 N4 Ni2 O11 |
| SMILES | c12ccccc1C=[N]1CCOCCOCC[N]3=Cc4ccccc4O[Ni]4513[O]2[Ni]123([OH2]4)[N](=Cc4c(cccc4)[O]52)CCOCCOCC[N]1=Cc1ccccc1O3.OCC.OCC |
| Title of publication | Di-μ-phenolato-μ-aqua-bridged Dinuclear Nickel(II) Complex with <i>N,N</i>′-Disalicylidene-2,2′-(ethylenedioxy)bis(ethylamine) |
| Authors of publication | LIM, Jongwan; SHIN, Yunseok; HAN, Junhee; RYU, Sanghoon; MITSUHASHI, Ryoji; MIKURIYA, Masahiro |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2017 |
| Journal volume | 33 |
| Journal issue | 0 |
| Pages of publication | 5 |
| a | 18.321 ± 0.008 Å |
| b | 13.543 ± 0.006 Å |
| c | 18.649 ± 0.009 Å |
| α | 90 ± 0.008° |
| β | 108.372 ± 0.008° |
| γ | 90 ± 0.009° |
| Cell volume | 4391 ± 3 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 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 | 0.0526 |
| Residual factor for significantly intense reflections | 0.0347 |
| Weighted residual factors for significantly intense reflections | 0.07 |
| Weighted residual factors for all reflections included in the refinement | 0.0736 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.875 |
| 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. |
1551572.cif |
| 216182 | 2019-06-20 | cif/ Adding structures of 1551572 via cif-deposit CGI script. |
1551572.cif |
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structural data.