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Information card for entry 4123746
Preview
| Coordinates | 4123746.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C84 H168 Mo12 N3 O66 P Zn4 |
|---|---|
| Calculated formula | C36 H20 Mo12 O48 P Zn4 |
| 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 | 48.928 ± 0.0013 Å |
| b | 48.928 ± 0.0013 Å |
| c | 48.928 ± 0.0012 Å |
| α | 90 ± 0.001° |
| β | 90 ± 0.001° |
| γ | 90 ± 0.001° |
| Cell volume | 117131 ± 5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 230 |
| Hermann-Mauguin space group symbol | I a -3 d |
| Hall space group symbol | -I 4bd 2c 3 |
| Residual factor for all reflections | 0.209 |
| Residual factor for significantly intense reflections | 0.0693 |
| Weighted residual factors for significantly intense reflections | 0.1664 |
| Weighted residual factors for all reflections included in the refinement | 0.2045 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 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. |
4123746.cif |
| 141354 | 2015-07-09 | cif/ Updating files of 4123745, 4123746, 4123747 Original log message: Adding full bibliography for 4123745--4123747.cif. |
4123746.cif |
| 137430 | 2015-05-28 | cif/ Adding structures of 4123745, 4123746, 4123747 via cif-deposit CGI script. |
4123746.cif |
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Users of the data should acknowledge the original authors of the
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