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Information card for entry 7229365
Preview
| Coordinates | 7229365.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H20 Cu N2 O2 |
|---|---|
| Calculated formula | C26 H20 Cu N2 O2 |
| SMILES | c1(ccccc1)[N]1[Cu]2([N](=Cc3c(cccc3)O2)c2ccccc2)Oc2ccccc2C=1 |
| Title of publication | Redox-active copper triangles as an enzymatic molecular flask for light-driven hydrogen production |
| Authors of publication | Zhao, Liang; Wei, Jianwei; Zhang, Feili; He, Cheng; Zheng, Sijia; Duan, Chunying |
| Journal of publication | RSC Adv. |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 77 |
| Pages of publication | 48989 |
| a | 11.9298 ± 0.0004 Å |
| b | 7.9557 ± 0.0003 Å |
| c | 12.2145 ± 0.0004 Å |
| α | 90° |
| β | 112.172 ± 0.002° |
| γ | 90° |
| Cell volume | 1073.55 ± 0.07 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0577 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.103 |
| Weighted residual factors for all reflections included in the refinement | 0.1122 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202147 (current) | 2017-10-19 | cif/ Adding structures of 7229365 via cif-deposit CGI script. |
7229365.cif |
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Users of the data should acknowledge the original authors of the
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