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Information card for entry 7205462
Preview
| Coordinates | 7205462.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H14 Cd I2 N6 |
|---|---|
| Calculated formula | C15 H14 Cd I2 N6 |
| 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 | 9.9448 ± 0.0011 Å |
| b | 23.481 ± 0.003 Å |
| c | 9.1979 ± 0.0012 Å |
| α | 90° |
| β | 112.179 ± 0.001° |
| γ | 90° |
| Cell volume | 1988.9 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0526 |
| Residual factor for significantly intense reflections | 0.0342 |
| Weighted residual factors for significantly intense reflections | 0.0649 |
| Weighted residual factors for all reflections included in the refinement | 0.0729 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| 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. |
7205462.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205462.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205462.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. |
7205462.cif |
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Users of the data should acknowledge the original authors of the
structural data.