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Information card for entry 1551533
Preview
| Coordinates | 1551533.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H22 N4 O2 Zn |
|---|---|
| Calculated formula | C20 H22 N4 O2 Zn |
| SMILES | c12ccccc1C1NCCC[N]=1[Zn]1(O2)[N]2=C(c3c(cccc3)O1)NCCC2 |
| Title of publication | Synthesis and Crystal Structure of Bis[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenolato]zinc(II) |
| Authors of publication | MITSUHASHI, Ryoji; MIKURIYA, Masahiro |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2019 |
| Journal volume | 35 |
| Journal issue | 0 |
| Pages of publication | 37 |
| a | 13.7667 ± 0.0014 Å |
| b | 11.4666 ± 0.0011 Å |
| c | 12.2213 ± 0.0012 Å |
| α | 90° |
| β | 116.242 ± 0.002° |
| γ | 90° |
| Cell volume | 1730.4 ± 0.3 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 | 0.0488 |
| Residual factor for significantly intense reflections | 0.0401 |
| Weighted residual factors for significantly intense reflections | 0.1018 |
| Weighted residual factors for all reflections included in the refinement | 0.1064 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216143 (current) | 2019-06-20 | cif/ Adding structures of 1551533 via cif-deposit CGI script. |
1551533.cif |
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Users of the data should acknowledge the original authors of the
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