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Information card for entry 2020628
Preview
| Coordinates | 2020628.cif |
|---|---|
| Structure factors | 2020628.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[[[bis[acetonitrilecadmium(II)]-μ-4-1,2,4,5-([2,2,2-tris(1<i>H</i>-pyrazol-1-yl)ethoxy]methyl}benzene] tetrakis(tetrafluoridoborate)]‒diethyl ether‒acetonitrile (1/2/2)], |
|---|---|
| Formula | C70 H86 B4 Cd2 F16 N28 O6 |
| Calculated formula | C70 H86 B4 Cd2 F16 N28 O6 |
| Title of publication | A cadmium(II) coordination polymer formed from a third generation tetratopic tris(pyrazolyl)methane ligand |
| Authors of publication | Semeniuc, Radu F.; Reger, Daniel L.; Smith, Mark D. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 11 |
| Pages of publication | 832 - 837 |
| a | 14.4909 ± 0.0006 Å |
| b | 16.1418 ± 0.0007 Å |
| c | 18.2891 ± 0.0008 Å |
| α | 90° |
| β | 97.687 ± 0.001° |
| γ | 90° |
| Cell volume | 4239.5 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.1128 |
| Residual factor for significantly intense reflections | 0.0781 |
| Weighted residual factors for significantly intense reflections | 0.1646 |
| Weighted residual factors for all reflections included in the refinement | 0.1784 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.135 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 188954 (current) | 2016-12-06 | cif/ Updating files of 2020628 Original log message: Adding full bibliography for 2020628.cif. |
2020628.cif 2020628.hkl |
| 187001 | 2016-10-07 | cif/ hkl/ Adding structures of 2020628 via cif-deposit CGI script. |
2020628.cif 2020628.hkl |
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Users of the data should acknowledge the original authors of the
structural data.