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Information card for entry 2243877
Preview
| Coordinates | 2243877.cif |
|---|---|
| Structure factors | 2243877.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Bis[bis(6,6'-dimethyl-2,2'-bipyridine)copper(I)] hexafluoridohafnate(IV) 0.671-hydrate |
|---|---|
| Formula | C48 H49.34 Cu2 F6 Hf N8 O0.67 |
| Calculated formula | C48 H49.344 Cu2 F6 Hf N8 O0.672 |
| 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 | 8.5737 ± 0.0001 Å |
| b | 10.7967 ± 0.0002 Å |
| c | 13.0183 ± 0.0002 Å |
| α | 103.273 ± 0.001° |
| β | 103.662 ± 0.001° |
| γ | 98.785 ± 0.001° |
| Cell volume | 1112.08 ± 0.03 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 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 | 0.0273 |
| Residual factor for significantly intense reflections | 0.0228 |
| Weighted residual factors for significantly intense reflections | 0.0544 |
| Weighted residual factors for all reflections included in the refinement | 0.0557 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| 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. |
2243877.cif 2243877.hkl |
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Users of the data should acknowledge the original authors of the
structural data.