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Information card for entry 7222056
Preview
| Coordinates | 7222056.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H24 Cl4 Cu2 N4 O4 |
|---|---|
| Calculated formula | C30 H24 Cl4 Cu2 N4 O4 |
| SMILES | C1Cc2c(C3=[N]1[Cu]1([n]4c3cccc4)([Cl][Cu]3([N]4CCc5cc6c(cc5C=4c4[n]3cccc4)OCO6)([Cl]1)Cl)Cl)cc1c(c2)OCO1 |
| Title of publication | Dihydroisoquinoline Copper(II) Complexes: Crystal Structures, Cytotoxicity, and Their Action Mechanism |
| Authors of publication | Huang, Ke-Bin; Chen, Zhen-Feng; Liu, Yan-Cheng; Xie, Xiao-Li; Liang, Hong |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 7.6582 ± 0.0003 Å |
| b | 8.8071 ± 0.0004 Å |
| c | 11.4566 ± 0.0008 Å |
| α | 97.269 ± 0.005° |
| β | 101.942 ± 0.005° |
| γ | 108.179 ± 0.004° |
| Cell volume | 702.91 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0409 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for significantly intense reflections | 0.0872 |
| Weighted residual factors for all reflections included in the refinement | 0.0922 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 155496 (current) | 2015-09-09 | cif/ Adding structures of 7222056, 7222057, 7222058 via cif-deposit CGI script. |
7222056.cif |
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Users of the data should acknowledge the original authors of the
structural data.