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Information card for entry 7205721
Preview
| Coordinates | 7205721.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H16 Cd2 N6 O8 |
|---|---|
| Calculated formula | C22 H16 Cd2 N6 O8 |
| Title of publication | Self-adaptation of a conformationally flexible yet restricted “piperazine-pyrazine” building block toward the design of coordination polymers |
| Authors of publication | Lee, Chin-Fen; Hsu, Shu-Chun; Chan, Kai-Chao; Nurnabi, Mohammad; Lee, Chung-Chou; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 8 |
| Pages of publication | 2960 |
| a | 7.4983 ± 0.0015 Å |
| b | 8.6759 ± 0.0017 Å |
| c | 9.793 ± 0.002 Å |
| α | 82.62 ± 0.03° |
| β | 67.51 ± 0.03° |
| γ | 84.25 ± 0.03° |
| Cell volume | 582.8 ± 0.2 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 | 0.0516 |
| Residual factor for significantly intense reflections | 0.0347 |
| Weighted residual factors for significantly intense reflections | 0.0713 |
| Weighted residual factors for all reflections included in the refinement | 0.0748 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180388 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/57. |
7205721.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205721.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205721.cif |
| 20997 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7205715, 7205716, 7205717, 7205718, 7205719, 7205720, 7205721 via cif-deposit CGI script. |
7205721.cif |
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Users of the data should acknowledge the original authors of the
structural data.