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Information card for entry 1551555
Preview
| Coordinates | 1551555.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H18 Cu N4 O2 |
|---|---|
| Calculated formula | C18 H18 Cu N4 O2 |
| SMILES | c12O[Cu]3([N]4=C(c2cccc1)NCC4)[N]1=C(c2c(cccc2)O3)NCC1 |
| Title of publication | Synthesis and Crystal Structure of Bis[2-(2-imidazolinyl)phenolato]copper(II) |
| Authors of publication | MITSUHASHI, Ryoji; MIYAZAKI, Yusuke; HOSOYA, Satoshi; MIKURIYA, Masahiro |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2018 |
| Journal volume | 34 |
| Journal issue | 0 |
| Pages of publication | 11 |
| a | 9.2964 ± 0.0009 Å |
| b | 10.4722 ± 0.001 Å |
| c | 8.8271 ± 0.0009 Å |
| α | 90° |
| β | 112.028 ± 0.001° |
| γ | 90° |
| Cell volume | 796.62 ± 0.14 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0386 |
| Residual factor for significantly intense reflections | 0.0306 |
| Weighted residual factors for significantly intense reflections | 0.0803 |
| Weighted residual factors for all reflections included in the refinement | 0.0844 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216165 (current) | 2019-06-20 | cif/ Adding structures of 1551555 via cif-deposit CGI script. |
1551555.cif |
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Users of the data should acknowledge the original authors of the
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