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Information card for entry 7202047
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| Coordinates | 7202047.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (Cd(tib)(OAc)2)-4.5(H2O) |
|---|---|
| Chemical name | [Cd(tib)(OAc)2]-4.5(H2O) |
| Formula | C22 H33 Cd N6 O8.5 |
| Calculated formula | C22 H33 Cd N6 O8.5 |
| Title of publication | Structure diversity and reversible anion exchange properties of cadmium(ii) complexes with 1,3,5-tris(imidazol-1-ylmethyl)benzene: counteranion-directed flexible ligand conformational variation |
| Authors of publication | Xu, Guan-Cheng; Ding, Yu-Jie; Okamura, Taka-aki; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu |
| Journal of publication | CrystEngComm |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 8 |
| Pages of publication | 1052 |
| a | 14.294 ± 0.002 Å |
| b | 17.334 ± 0.003 Å |
| c | 22.245 ± 0.002 Å |
| α | 90° |
| β | 99.827 ± 0.008° |
| γ | 90° |
| Cell volume | 5430.8 ± 1.3 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0436 |
| Residual factor for significantly intense reflections | 0.0316 |
| Weighted residual factors for significantly intense reflections | 0.0647 |
| Weighted residual factors for all reflections included in the refinement | 0.0692 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7202047.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7202047.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7202047.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7202047.cif |
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Users of the data should acknowledge the original authors of the
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