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Information card for entry 1556600
Preview
| Coordinates | 1556600.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C122.5 H108.5 Cu2 Fe O7 P6 |
|---|---|
| Calculated formula | C122.5 H108.5 Cu2 Fe O7 P6 |
| SMILES | [c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[c]6([cH]7[cH]82)C(O[Cu]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)=O)C(O[Cu]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)=O.CO.CO.CO |
| Title of publication | Bilateral photocatalytic mechanism of dye degradation by a designed ferrocene-functionalized cluster under natural sunlight |
| Authors of publication | Liu, Kuan-Guan; Rouhani, Farzaneh; Gao, Xue-Mei; Abbasi-Azad, Mahsa; Li, Jing-Zhe; Hu, Xiu-De; Wang, Wei; Hu, Mao-Lin; Morsali, Ali |
| Journal of publication | Catalysis Science & Technology |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 3 |
| Pages of publication | 757 - 767 |
| a | 24.582 ± 0.003 Å |
| b | 20.281 ± 0.002 Å |
| c | 40.461 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 20172 ± 4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0809 |
| Residual factor for significantly intense reflections | 0.053 |
| Weighted residual factors for significantly intense reflections | 0.1197 |
| Weighted residual factors for all reflections included in the refinement | 0.1398 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257224 (current) | 2020-10-06 | cif/ Updating files of 1556599, 1556600 Original log message: Adding full bibliography for 1556599--1556600.cif. |
1556600.cif |
| 248795 | 2020-03-05 | cif/ Updating files of 1556599, 1556600 Original log message: Adding full bibliography for 1556599--1556600.cif. |
1556600.cif |
| 245224 | 2019-12-17 | cif/ Adding structures of 1556599, 1556600 via cif-deposit CGI script. |
1556600.cif |
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Users of the data should acknowledge the original authors of the
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