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Information card for entry 2020850
Preview
| Coordinates | 2020850.cif |
|---|---|
| Structure factors | 2020850.hkl |
| Original IUCr paper | HTML |
| Chemical name | Aquabis(dimethylformamide-κ<i>O</i>)(perchlorato-κ<i>O</i>)[2-(quinolin-2-yl)-1,3-oxazolo[4,5-<i>f</i>][1,10]phenanthroline]copper(II) perchlorate monohydrate |
|---|---|
| Formula | C28 H30 Cl2 Cu N6 O13 |
| Calculated formula | C28 H30 Cl2 Cu N6 O13 |
| Title of publication | A fluorophore-labelled copper complex: crystal structure, hybrid cyclic water‒perchlorate cluster and biological properties |
| Authors of publication | Bhat, Satish S.; Revankar, Vidyanand K.; Shivalingegowda, Naveen; Lokanath, N. K. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 9 |
| a | 48.675 ± 0.003 Å |
| b | 8.375 ± 0.0005 Å |
| c | 16.3155 ± 0.0009 Å |
| α | 90° |
| β | 100.716 ± 0.002° |
| γ | 90° |
| Cell volume | 6535.1 ± 0.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0522 |
| Residual factor for significantly intense reflections | 0.0466 |
| Weighted residual factors for significantly intense reflections | 0.1268 |
| Weighted residual factors for all reflections included in the refinement | 0.132 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199767 (current) | 2017-08-15 | cif/ hkl/ Adding structures of 2020850 via cif-deposit CGI script. |
2020850.cif 2020850.hkl |
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Users of the data should acknowledge the original authors of the
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