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Information card for entry 2020823
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| Coordinates | 2020823.cif |
|---|---|
| Structure factors | 2020823.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[aqua(μ~2~-naphthalene-2,6-dicarboxylato){μ~2~-4,4'-[oxybis(4,1-phenylene)]dipyridine}cadmium(II)] monohydrate] |
|---|---|
| Formula | C34 H26 Cd N2 O7 |
| Calculated formula | C34 H26 Cd N2 O7 |
| Title of publication | A cadmium(II) coordination polymer with both polyrotaxane and polycatenane features constructed by a V-shaped semi-rigid ligand: synthesis and fluorescence properties |
| Authors of publication | Xie, Hua; Fang, Wang-Jian; Yao, Xiao-Qiang |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 7 |
| Pages of publication | 541 - 545 |
| a | 8.073 ± 0.0002 Å |
| b | 12.4019 ± 0.0003 Å |
| c | 15.2718 ± 0.0004 Å |
| α | 106.744 ± 0.002° |
| β | 101.979 ± 0.002° |
| γ | 96.647 ± 0.002° |
| Cell volume | 1406.93 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0296 |
| Residual factor for significantly intense reflections | 0.0292 |
| Weighted residual factors for significantly intense reflections | 0.0767 |
| Weighted residual factors for all reflections included in the refinement | 0.077 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199102 (current) | 2017-07-25 | cif/ hkl/ Adding structures of 2020823 via cif-deposit CGI script. |
2020823.cif 2020823.hkl |
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Users of the data should acknowledge the original authors of the
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