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Information card for entry 1557286
Preview
| Coordinates | 1557286.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C49 H39 Mn3 N11 O49 P W12 |
|---|---|
| Calculated formula | C49 H39 Mn3 N11 O49 P W12 |
| SMILES | [W]1234([O]56[W]78(O[W]9%10%11(O[W]%12%13([O]%14%15[W]%16%17(O[W]%14(=O)(O2)(O[W]2%14(O[W]%18%19%20(=O)O[W]5(O[W]5([O]%219[W](O%16)(O[W](O%17)([O]2%18=P6%15%21)(O%14)(=O)O%20)(O5)(=O)O%11)(O%19)(O%10)=O)(O8)(O4)=O)(=O)O1)O%12)(O%13)=O)(O7)=O)=O)(=O)O3)=O.[O]#C[Mn]1([N]#CC)([n]2c(c3[n]1cccc3)cccc2)(C#[O])C#[O].[O]#C[Mn]1([N]#CC)([n]2ccccc2c2[n]1cccc2)(C#[O])C#[O].[O]#C[Mn]1([N]#CC)([n]2c(c3[n]1cccc3)cccc2)(C#[O])C#[O].N#CC.N#CC |
| Title of publication | Polyoxometalate-based electron transfer modulation for efficient electrocatalytic carbon dioxide reduction |
| Authors of publication | Du, Jing; Lang, Zhong-Ling; Ma, Yuan-Yuan; Tan, Hua-Qiao; Liu, Bai-Ling; Wang, Yong-Hui; Kang, Zhen-Hui; Li, Yang-Guang |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 11 |
| Pages of publication | 3007 - 3015 |
| a | 13.0328 ± 0.0005 Å |
| b | 15.6142 ± 0.0005 Å |
| c | 20.1424 ± 0.0007 Å |
| α | 79.88 ± 0.001° |
| β | 89.029 ± 0.002° |
| γ | 86.775 ± 0.002° |
| Cell volume | 4028.6 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0572 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for significantly intense reflections | 0.0919 |
| Weighted residual factors for all reflections included in the refinement | 0.1033 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257404 (current) | 2020-10-06 | cif/ Updating files of 1557284, 1557285, 1557286 Original log message: Adding full bibliography for 1557284--1557286.cif. |
1557286.cif |
| 250248 | 2020-04-05 | cif/ Updating files of 1557284, 1557285, 1557286 Original log message: Adding full bibliography for 1557284--1557286.cif. |
1557286.cif |
| 248017 | 2020-02-11 | cif/ Adding structures of 1557284, 1557285, 1557286 via cif-deposit CGI script. |
1557286.cif |
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Users of the data should acknowledge the original authors of the
structural data.