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Information card for entry 4127624
Preview
| Coordinates | 4127624.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H80 Ag12 F18 N8 O12 S6 |
|---|---|
| Calculated formula | C76 H80 Ag12 F18 N8 O12 S6 |
| Title of publication | Porphyrinic Silver Cluster Assembled Material for Simultaneous Capture and Photocatalysis of Mustard-Gas Simulant. |
| Authors of publication | Cao, Man; Pang, Rui; Wang, Qian-You; Han, Zhen; Wang, Zhao-Yang; Dong, Xi-Yan; Li, Shun-Fang; Zang, Shuang-Quan; Mak, Thomas C. W. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 37 |
| Pages of publication | 14505 - 14509 |
| a | 14.771 ± 0.0001 Å |
| b | 15.4918 ± 0.0002 Å |
| c | 15.641 ± 0.0002 Å |
| α | 61.452 ± 0.001° |
| β | 68.229 ± 0.001° |
| γ | 67.388 ± 0.001° |
| Cell volume | 2823.93 ± 0.06 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0395 |
| Residual factor for significantly intense reflections | 0.0384 |
| Weighted residual factors for significantly intense reflections | 0.1016 |
| Weighted residual factors for all reflections included in the refinement | 0.1026 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| 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 |
|---|---|---|---|
| 220830 (current) | 2019-11-02 | cif/ Adding structures of 4127624 via cif-deposit CGI script. |
4127624.cif |
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Users of the data should acknowledge the original authors of the
structural data.