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Information card for entry 4514174
Preview
| Coordinates | 4514174.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H25 N18 O7 Zn3 |
|---|---|
| Calculated formula | C42 H24 N18 O7 Zn3 |
| Title of publication | Dual-Emitting Dye@MOF Composite as a Self-Calibrating Sensor for 2,4,6-Trinitrophenol. |
| Authors of publication | Chen, Di-Ming; Zhang, Nan-Nan; Liu, Chun-Sen; Du, Miao |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2017 |
| Journal volume | 9 |
| Journal issue | 29 |
| Pages of publication | 24671 - 24677 |
| a | 16.7486 ± 0.0003 Å |
| b | 16.7486 ± 0.0003 Å |
| c | 19.0019 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 4616.2 ± 0.19 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 194 |
| Hermann-Mauguin space group symbol | P 63/m m c |
| Hall space group symbol | -P 6c 2c |
| Residual factor for all reflections | 0.0676 |
| Residual factor for significantly intense reflections | 0.066 |
| Weighted residual factors for significantly intense reflections | 0.1935 |
| Weighted residual factors for all reflections included in the refinement | 0.1947 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200216 (current) | 2017-09-06 | cif/ Adding structures of 4514174 via cif-deposit CGI script. |
4514174.cif |
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Users of the data should acknowledge the original authors of the
structural data.