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Information card for entry 7714460
Preview
| Coordinates | 7714460.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | HIAM-4033 |
|---|---|
| Formula | C79 H50 N6 O32 S3 Zr6 |
| Calculated formula | C79 H50 N6 O32 S3 Zr6 |
| Title of publication | Carboxyl Position Directed Structure Diversity in Zirconium-Tricarboxylate Frameworks |
| Authors of publication | Xia, Jun; Si, Jincheng; Zhou, Kang; Xia, Hai-Lun; Zhang, Jian; Xu, Yingqian; Wang, Lei; Liu, Xiao-Yuan |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 23.3248 ± 0.0009 Å |
| b | 23.3248 ± 0.0009 Å |
| c | 32.71 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 15411.6 ± 1.3 Å3 |
| Cell temperature | 193 K |
| Ambient diffraction temperature | 193 K |
| Number of distinct elements | 6 |
| Space group number | 152 |
| Hermann-Mauguin space group symbol | P 31 2 1 |
| Hall space group symbol | P 31 2" |
| Residual factor for all reflections | 0.081 |
| Residual factor for significantly intense reflections | 0.0605 |
| Weighted residual factors for significantly intense reflections | 0.1708 |
| Weighted residual factors for all reflections included in the refinement | 0.188 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287598 (current) | 2023-11-15 | cif/ Adding structures of 7714460, 7714461 via cif-deposit CGI script. |
7714460.cif |
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