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Information card for entry 7205461
Preview
| Coordinates | 7205461.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H24 Cd5 Cl10 N12 |
|---|---|
| Calculated formula | C28 H24 Cd5 Cl10 N12 |
| Title of publication | Solvothermal synthesis, crystal structures and photoluminescence properties of the novel Cd/X/α,ω-bis(benzotriazole)alkane hybrid family (X = Cl, Br and I) |
| Authors of publication | Zhai, Quan-Guo; Gao, Xia; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 5 |
| Pages of publication | 1602 |
| a | 25.887 ± 0.002 Å |
| b | 6.751 ± 0.001 Å |
| c | 25.753 ± 0.002 Å |
| α | 90° |
| β | 104.269 ± 0.002° |
| γ | 90° |
| Cell volume | 4361.8 ± 0.8 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 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 | 0.0978 |
| Residual factor for significantly intense reflections | 0.0593 |
| Weighted residual factors for significantly intense reflections | 0.1487 |
| Weighted residual factors for all reflections included in the refinement | 0.1871 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.121 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180385 (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 7/20/54. |
7205461.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205461.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205461.cif |
| 14695 | 2011-03-11 | ../uploads/cif-deposit/cod/cif Adding structures of 7205459, 7205460, 7205461, 7205462, 7205463, 7205464, 7205465 via cif-deposit CGI script. |
7205461.cif |
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Users of the data should acknowledge the original authors of the
structural data.