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Information card for entry 1564706
Preview
| Coordinates | 1564706.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | InOC-2 |
|---|---|
| Formula | C36 H84 Br6 In12 N8 O26 |
| Calculated formula | C36 H84 Br6 In12 N8 O26 |
| Title of publication | Molecular Bixbyite-Like In12-Oxo Clusters with Tunable Functionalization Sites for Lithography Patterning Applications |
| Authors of publication | Yi, Xiaofeng; Wang, Di; Li, Fan; Zhang, Jian; Zhang, Lei |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 11.5427 ± 0.0003 Å |
| b | 26.8196 ± 0.0003 Å |
| c | 26.8568 ± 0.0005 Å |
| α | 101.182 ± 0.001° |
| β | 102.181 ± 0.002° |
| γ | 96.092 ± 0.002° |
| Cell volume | 7878.3 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1138 |
| Residual factor for significantly intense reflections | 0.0754 |
| Weighted residual factors for significantly intense reflections | 0.1826 |
| Weighted residual factors for all reflections included in the refinement | 0.2024 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.3405 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269243 (current) | 2021-09-23 | cif/ Adding structures of 1564702, 1564703, 1564704, 1564705, 1564706 via cif-deposit CGI script. |
1564706.cif |
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Users of the data should acknowledge the original authors of the
structural data.