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Information card for entry 4518588
Preview
| Coordinates | 4518588.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H116 Fe2 O32 S2 Ti6 |
|---|---|
| Calculated formula | C66 H116 Fe2 O32 S2 Ti6 |
| Title of publication | Ferrocene-Functionalized Polyoxo-Titanium Cluster for CO2 Photoreduction |
| Authors of publication | Liu, Jing-Jing; Li, Ning; Sun, Jia-Wei; Liu, Jiang; Dong, Long-Zhang; Yao, Su-Juan; Zhang, Lei; Xin, Zhi-Feng; Shi, Jing-Wen; Wang, Jing-Xuan; Li, Shun-Li; Lan, Ya-Qian |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Pages of publication | 4510 - 4519 |
| a | 31.653 ± 0.006 Å |
| b | 14.083 ± 0.003 Å |
| c | 20.207 ± 0.004 Å |
| α | 90° |
| β | 94.632 ± 0.003° |
| γ | 90° |
| Cell volume | 8978 ± 3 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0672 |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for significantly intense reflections | 0.1331 |
| Weighted residual factors for all reflections included in the refinement | 0.1525 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 263419 (current) | 2021-03-30 | cif/ Adding structures of 4518588 via cif-deposit CGI script. |
4518588.cif |
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Users of the data should acknowledge the original authors of the
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