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Information card for entry 7127727
Preview
| Coordinates | 7127727.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C136 H174 N6 O26 Ti6 |
|---|---|
| Calculated formula | C136 H174 N6 O26 Ti6 |
| Title of publication | Monocarboxylate-driven structural growth in Calix[n]arene-polyoxotitanate hybrid systems: utility in hydrogen production from water. |
| Authors of publication | Yang, Xin-Xue; Yu, Wei-Dong; Yi, Xiao-Yi; Li, Lei-Jiao; Liu, Chao |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2020 |
| Journal volume | 56 |
| Journal issue | 90 |
| Pages of publication | 14035 - 14038 |
| a | 18.742 ± 0.002 Å |
| b | 15.6878 ± 0.0019 Å |
| c | 24.515 ± 0.003 Å |
| α | 90° |
| β | 106.32 ± 0.007° |
| γ | 90° |
| Cell volume | 6917.5 ± 1.4 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1102 |
| Residual factor for significantly intense reflections | 0.0551 |
| Weighted residual factors for significantly intense reflections | 0.1394 |
| Weighted residual factors for all reflections included in the refinement | 0.1762 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 260462 (current) | 2021-01-04 | cif/ Adding structures of 7127725, 7127726, 7127727, 7127728, 7127729, 7127730, 7127731, 7127732, 7127733, 7127734, 7127735 via cif-deposit CGI script. |
7127727.cif |
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Users of the data should acknowledge the original authors of the
structural data.