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Information card for entry 8107342
Preview
| Coordinates | 8107342.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H24 Cu N4 O6 |
|---|---|
| Calculated formula | C30 H24 Cu N4 O6 |
| SMILES | [Cu]1234OC(=N[N]3=Cc3c(OCC[O]2c2ccccc2C=[N]4N=C(O1)c1c(O)cccc1)cccc3)c1c(O)cccc1 |
| Title of publication | Synthesis and crystal structure of {(N′,N″-(((ethane-1,2-diylbis(oxy))bis(2,1-phenylene))-bis(methaneylylidene))bis(2-hydroxybenzohydrazonato)-κ6 N 2 O 4}copper(II), C30H24CuN4O6 |
| Authors of publication | Cai, Jie-Qiong |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 1 |
| Pages of publication | 23 - 25 |
| a | 10.8014 ± 0.0002 Å |
| b | 10.8211 ± 0.0002 Å |
| c | 13.453 ± 0.0003 Å |
| α | 100.308 ± 0.001° |
| β | 113.075 ± 0.001° |
| γ | 99.989 ± 0.001° |
| Cell volume | 1370.76 ± 0.05 Å3 |
| Cell temperature | 297 K |
| Ambient diffraction temperature | 297 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 | 0.0645 |
| Residual factor for significantly intense reflections | 0.0365 |
| Weighted residual factors for significantly intense reflections | 0.0851 |
| Weighted residual factors for all reflections included in the refinement | 0.0937 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.964 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284445 (current) | 2023-06-12 | cif/ Adding structures of 8107342 via cif-deposit CGI script. |
8107342.cif |
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Users of the data should acknowledge the original authors of the
structural data.