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Information card for entry 1551735
Preview
| Coordinates | 1551735.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H24 Cl Cu N5 O4 S |
|---|---|
| Calculated formula | C18 H24 Cl Cu N5 O4 S |
| SMILES | [Cu]123([N](CCC[N]1(Cc1[n]2cccc1)C)(Cc1[n]3cccc1)C)N=C=S.Cl(=O)(=O)(=O)[O-] |
| Title of publication | Crystal Structure of Isothiocyanato-N,N′-dimethyl-N,N′-bis(pyridine-2-ylmethyl)propane-1,3-diaminecopper(II) Perchlorate |
| Authors of publication | YOKOYAMA, Takashi; YOSHISE, Masakazu; HASE, Shintaroh; KAWATE, Ayumi; AKASHI, Haruo; ZENKI, Michio |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2011 |
| Journal volume | 27 |
| Pages of publication | 51 |
| a | 9.257 ± 0.003 Å |
| b | 9.883 ± 0.004 Å |
| c | 11.806 ± 0.005 Å |
| α | 89.638 ± 0.012° |
| β | 81.053 ± 0.01° |
| γ | 88.841 ± 0.012° |
| Cell volume | 1066.7 ± 0.7 Å3 |
| Cell temperature | 93.1 K |
| Ambient diffraction temperature | 93 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0576 |
| Weighted residual factors for all reflections included in the refinement | 0.1788 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.132 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216347 (current) | 2019-06-20 | cif/ Adding structures of 1551735 via cif-deposit CGI script. |
1551735.cif |
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