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Information card for entry 4519138
Preview
| Coordinates | 4519138.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H28 N4 O16 Zr3 |
|---|---|
| Calculated formula | C40 H28 N4 O16 Zr3 |
| Title of publication | Multifunctional Zr-MOF Based on Bisimidazole Tetracarboxylic Acid for pH Sensing and Photoreduction of Cr(VI). |
| Authors of publication | Wang, Xiaoning; Zhang, Yan; Shi, Zhixiong; Lu, Tingting; Wang, Qiang; Li, Bao |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2021 |
| Journal volume | 13 |
| Journal issue | 45 |
| Pages of publication | 54217 - 54226 |
| a | 15.118 ± 0.003 Å |
| b | 27.648 ± 0.006 Å |
| c | 25.134 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 10506 ± 4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 65 |
| Hermann-Mauguin space group symbol | C m m m |
| Hall space group symbol | -C 2 2 |
| Residual factor for all reflections | 0.0737 |
| Residual factor for significantly intense reflections | 0.0672 |
| Weighted residual factors for significantly intense reflections | 0.2113 |
| Weighted residual factors for all reflections included in the refinement | 0.2213 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.129 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271019 (current) | 2021-12-03 | cif/ Adding structures of 4519138 via cif-deposit CGI script. |
4519138.cif |
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Users of the data should acknowledge the original authors of the
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