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Information card for entry 7228796
Preview
| Coordinates | 7228796.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H18 Cl4 Cu N8 |
|---|---|
| Calculated formula | C16 H18 Cl4 Cu N8 |
| SMILES | [Cu](Cl)(Cl)([n]1c2c(n(CCC)c1)ncnc2Cl)[n]1cn(c2ncnc(Cl)c12)CCC |
| Title of publication | N9 substituent mediated structural tuning of copper‒purine complexes: chelate effect and thin film studies |
| Authors of publication | Avasthi, Ilesha; Khanna, Shruti; Tripathi, Santosh K.; Verma, Sandeep |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 14.861 ± 0.008 Å |
| b | 14.801 ± 0.008 Å |
| c | 10.073 ± 0.005 Å |
| α | 90° |
| β | 107.679 ± 0.009° |
| γ | 90° |
| Cell volume | 2111 ± 1.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0458 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.0961 |
| Weighted residual factors for all reflections included in the refinement | 0.1033 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.95 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199394 (current) | 2017-07-29 | cif/ Adding structures of 7228792, 7228793, 7228794, 7228795, 7228796, 7228797, 7228798, 7228799, 7228800 via cif-deposit CGI script. |
7228796.cif |
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Users of the data should acknowledge the original authors of the
structural data.