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Information card for entry 7048331
Preview
| Coordinates | 7048331.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | ((4-(1'H-[1, 3?-bipyrazol]-1'-yl)phenyl) (4-(10H-phenoxazin-10-yl)phenyl)methanone)((oxybis(2,1-phenylene))bis(diphenylphosphane)) copper(I) tetra-fluoroborate, mono-dichloromethane |
|---|---|
| Formula | C68 H51 B Cl2 Cu F4 N5 O3 P2 |
| Calculated formula | C68 H51 B Cl2 Cu F4 N5 O3 P2 |
| Title of publication | A rationally designed vapoluminescent compound with adsorptive channels and responsive luminophores for volatile organic compounds (VOCs). |
| Authors of publication | Yang, Mingxue; Li, Xiao-Ning; Jia, Ji-Hui; Chen, Xu-Lin; Lu, Can-Zhong |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 4 |
| Pages of publication | 1179 - 1183 |
| a | 14.541 ± 0.0005 Å |
| b | 15.2405 ± 0.0004 Å |
| c | 16.9377 ± 0.0006 Å |
| α | 96.877 ± 0.003° |
| β | 106.932 ± 0.003° |
| γ | 113.006 ± 0.003° |
| Cell volume | 3186.9 ± 0.2 Å3 |
| Cell temperature | 99.99 ± 0.17 K |
| Ambient diffraction temperature | 99.99 ± 0.17 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0508 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.1197 |
| Weighted residual factors for all reflections included in the refinement | 0.1265 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 224076 (current) | 2019-11-07 | cif/ Updating files of 7048330, 7048331, 7048332, 7048333 Original log message: Adding full bibliography for 7048330--7048333.cif. |
7048331.cif |
| 212512 | 2018-12-11 | cif/ Adding structures of 7048330, 7048331, 7048332, 7048333 via cif-deposit CGI script. |
7048331.cif |
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