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Information card for entry 4123745
Preview
| Coordinates | 4123745.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H147 Cl4 Mo12 N4 O40 P Zn4 |
|---|---|
| Calculated formula | C64 H144 Cl4 Mo12 N4 O40 P Zn4 |
| SMILES | C(CCC)[N+](CCCC)(CCCC)CCCC.[O-]P(=O)([O-])[O-].O1[Mo]234(=O)[O]5[Zn]6(Cl)[O]7[Mo]89%10(O[Mo]%11%12%13(O[Mo]45(O8)([O]3[Zn]3([O]4[Mo]58%14(O[Mo]%15%13(O[Mo]%13%16(O5)([O]5[Mo]%17%18%16(O[Mo]%16%19(O[Mo]7%10(O%17)(=O)[O]9[Zn]5([O]%12%15)Cl)([O]5[Mo]1%19(O[Mo]4%14(O2)([O]8[Zn]5([O]%13%18)Cl)=O)([O]6%16)=O)=O)=O)=O)([O]%113)=O)=O)Cl)=O)=O)=O.C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC |
| Title of publication | Ultrastable Polymolybdate-Based Metal-Organic Frameworks as Highly Active Electrocatalysts for Hydrogen Generation from Water. |
| Authors of publication | Qin, Jun-Sheng; Du, Dong-Ying; Guan, Wei; Bo, Xiang-Jie; Li, Ya-Fei; Guo, Li-Ping; Su, Zhong-Min; Wang, Yuan-Yuan; Lan, Ya-Qian; Zhou, Hong-Cai |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 22 |
| Pages of publication | 7169 - 7177 |
| a | 17.392 ± 0.0012 Å |
| b | 17.392 ± 0.0012 Å |
| c | 18.982 ± 0.0012 Å |
| α | 90 ± 0.001° |
| β | 90 ± 0.001° |
| γ | 90 ± 0.001° |
| Cell volume | 5741.7 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 114 |
| Hermann-Mauguin space group symbol | P -4 21 c |
| Hall space group symbol | P -4 2n |
| Residual factor for all reflections | 0.0552 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.0988 |
| Weighted residual factors for all reflections included in the refinement | 0.1079 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4123745.cif |
| 141354 | 2015-07-09 | cif/ Updating files of 4123745, 4123746, 4123747 Original log message: Adding full bibliography for 4123745--4123747.cif. |
4123745.cif |
| 137430 | 2015-05-28 | cif/ Adding structures of 4123745, 4123746, 4123747 via cif-deposit CGI script. |
4123745.cif |
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Users of the data should acknowledge the original authors of the
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