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Information card for entry 1564704
Preview
| Coordinates | 1564704.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | InOC-4 |
|---|---|
| Formula | C56 H68 Br6 In12 N12 O34 |
| Calculated formula | C56 H72 Br6 In12 N12 O34 |
| 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 | 16.1018 ± 0.0004 Å |
| b | 16.1018 ± 0.0004 Å |
| c | 20.4257 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5295.7 ± 0.3 Å3 |
| Cell temperature | 100.01 ± 0.12 K |
| Ambient diffraction temperature | 100.01 ± 0.12 K |
| Number of distinct elements | 6 |
| Space group number | 82 |
| Hermann-Mauguin space group symbol | I -4 |
| Hall space group symbol | I -4 |
| Residual factor for all reflections | 0.0793 |
| Residual factor for significantly intense reflections | 0.0759 |
| Weighted residual factors for significantly intense reflections | 0.1999 |
| Weighted residual factors for all reflections included in the refinement | 0.2069 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
1564704.cif |
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