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Information card for entry 7035560
Preview
| Coordinates | 7035560.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H14 B F2 N O S |
|---|---|
| Calculated formula | C21 H14 B F2 N O S |
| SMILES | s1c2ccccc2[n]2[B](F)(F)OC(=C(c12)c1ccccc1)c1ccccc1 |
| Title of publication | AIE-active organoboron complexes with highly efficient solid-state luminescence and their application as gas sensitive materials. |
| Authors of publication | Gong, Shuwen; Liu, Qingsong; Wang, Xiaoqing; Xia, Bo; Liu, Zhipeng; He, Weijiang |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 31 |
| Pages of publication | 14063 - 14070 |
| a | 13.0567 ± 0.0005 Å |
| b | 16.889 ± 0.0007 Å |
| c | 32.3602 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7135.9 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0759 |
| Residual factor for significantly intense reflections | 0.0526 |
| Weighted residual factors for significantly intense reflections | 0.1279 |
| Weighted residual factors for all reflections included in the refinement | 0.1452 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182221 (current) | 2016-04-20 | cif/7 Fixing Z values and formulae |
7035560.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7035560.cif |
| 153167 | 2015-08-08 | cif/ Updating files of 7035560, 7035561, 7035562, 7035563 Original log message: Adding full bibliography for 7035560--7035563.cif. |
7035560.cif |
| 139709 | 2015-06-27 | cif/ Adding structures of 7035560, 7035561, 7035562, 7035563 via cif-deposit CGI script. |
7035560.cif |
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Users of the data should acknowledge the original authors of the
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