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Information card for entry 2243876
Preview
| Coordinates | 2243876.cif |
|---|---|
| Structure factors | 2243876.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[bis(6,6'-dimethyl-2,2'-bipyridine)copper(I)] hexafluoridozirconate(IV) 1.134-hydrate |
|---|---|
| Formula | C48 H50.27 Cu2 F6 N8 O1.13 Zr |
| Calculated formula | C48 H50.268 Cu2 F6 N8 O1.134 Zr |
| Title of publication | Crystal structures of two copper(I)‒6,6'-dimethyl-2,2'-bipyridyl (dmbpy) compounds, [Cu(dmbpy)~2~]~2~[<i>M</i>F~6~]·<i>x</i>H~2~O (<i>M</i> = Zr, Hf; <i>x</i> = 1.134, 0.671) |
| Authors of publication | Wang, Yiran; Nisbet, Matthew L.; Poeppelmeier, Kenneth R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 8 |
| Pages of publication | 819 - 823 |
| a | 8.6219 ± 0.0003 Å |
| b | 10.8064 ± 0.0003 Å |
| c | 12.9992 ± 0.0004 Å |
| α | 103.078 ± 0.002° |
| β | 104.013 ± 0.003° |
| γ | 98.863 ± 0.002° |
| Cell volume | 1116.33 ± 0.06 Å3 |
| Cell temperature | 100.4 ± 0.8 K |
| Ambient diffraction temperature | 100.4 ± 0.8 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 all reflections | 0.0475 |
| Residual factor for significantly intense reflections | 0.0351 |
| Weighted residual factors for significantly intense reflections | 0.0834 |
| Weighted residual factors for all reflections included in the refinement | 0.0879 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267669 (current) | 2021-07-21 | cif/ hkl/ Adding structures of 2243876, 2243877 via cif-deposit CGI script. |
2243876.cif 2243876.hkl |
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Users of the data should acknowledge the original authors of the
structural data.