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Information card for entry 7120730
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| Coordinates | 7120730.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H12 Cu3 I3 N6 O24 Ti6 |
|---|---|
| Calculated formula | C36 H12 Cu3 I3 N6 O24 Ti6 |
| Title of publication | A Cluster-Based Mesoporous Ti-MOF with Sodalite Supercages |
| Authors of publication | Sun, Zhong-Ming; Wang, Chao; Liu, Chao; He, Xiang |
| Journal of publication | Chem. Commun. |
| Year of publication | 2017 |
| a | 32.33 ± 0.004 Å |
| b | 32.33 ± 0.004 Å |
| c | 32.33 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 33792 ± 7 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 229 |
| Hermann-Mauguin space group symbol | I m -3 m |
| Hall space group symbol | -I 4 2 3 |
| Residual factor for all reflections | 0.0835 |
| Residual factor for significantly intense reflections | 0.0695 |
| Weighted residual factors for significantly intense reflections | 0.1899 |
| Weighted residual factors for all reflections included in the refinement | 0.2013 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201569 (current) | 2017-10-03 | cif/ Adding structures of 7120730 via cif-deposit CGI script. |
7120730.cif |
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