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Information card for entry 7035670
Preview
| Coordinates | 7035670.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H52 Mo6 N6 O21 |
|---|---|
| Calculated formula | C40 H52 Mo6 N6 O21 |
| SMILES | CCN(CC)c1ccc2nc3c([o+]c2c1)cc(N(CC)CC)cc3.O1[Mo]234(=O)O[Mo]567(O[Mo]89%10(O[Mo]%11(O2)([O]2459[Mo](O3)(O[Mo]12(O8)(=O)O%11)(O%10)(O7)=O)(O6)=O)=O)=O.CCN(CC)c1ccc2c([o+]c3c(n2)ccc(N(CC)CC)c3)c1 |
| Title of publication | Dye-sensitized polyoxometalate for visible-light-driven photoelectrochemical cells. |
| Authors of publication | Gao, Junkuo; Miao, Jianwei; Li, Yongxin; Ganguly, Rakesh; Zhao, Yang; Lev, Ovadia; Liu, Bin; Zhang, Qichun |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 32 |
| Pages of publication | 14354 - 14358 |
| a | 10.9209 ± 0.0006 Å |
| b | 19.2268 ± 0.0013 Å |
| c | 11.9644 ± 0.0007 Å |
| α | 90° |
| β | 101.122 ± 0.002° |
| γ | 90° |
| Cell volume | 2465 ± 0.3 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0326 |
| Residual factor for significantly intense reflections | 0.0256 |
| Weighted residual factors for significantly intense reflections | 0.0524 |
| Weighted residual factors for all reflections included in the refinement | 0.0548 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| 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. |
7035670.cif |
| 153221 | 2015-08-08 | cif/ Updating files of 7035670 Original log message: Adding full bibliography for 7035670.cif. |
7035670.cif |
| 141007 | 2015-07-08 | cif/ Adding structures of 7035670 via cif-deposit CGI script. |
7035670.cif |
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Users of the data should acknowledge the original authors of the
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