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Information card for entry 7118314
Preview
| Coordinates | 7118314.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C68 H177 Br3 Cr Mo6 N6 O32.5 |
|---|---|
| Calculated formula | C68 H170.5 Br3 Cr Mo6 N6 O32.5 |
| SMILES | O=[Mo]123(O[Mo]45([O]62[Cr]2789[OH]%10[Mo]%11(O[Mo]%12([O]2([Mo](=O)(=O)(O4)(O%12)[OH]59)CC([NH3+])(CO)C6)([O]8%11)(=O)=O)(=O)(=O)O[Mo]%10(=O)([O]17)(=O)O3)(=O)=O)=O.CCCC[N+](CCCC)(CCCC)CCCC.C(C)CC[N+](CCCC)(CCCC)CCCC.C(CC)C[N+](CCCC)(CCCC)CCCC.O.O.[Br-].C(CCC)[N+](CCCC)(CCCC)CCCC.[Br-].O.O.[Br-].O.O.O.O.[NH4+] |
| Title of publication | The proton-controlled synthesis of unprecedented diol functionalized Anderson-type POMs. |
| Authors of publication | Zhang, Jiangwei; Li, Qi; Zeng, Mengyan; Huang, Yichao; Zhang, Jin; Hao, Jian; Wei, Yongge |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 11 |
| Pages of publication | 2378 - 2381 |
| a | 23.7911 ± 0.0005 Å |
| b | 15.3677 ± 0.0004 Å |
| c | 28.4337 ± 0.0007 Å |
| α | 90° |
| β | 96.193 ± 0.002° |
| γ | 90° |
| Cell volume | 10335.1 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0814 |
| Residual factor for significantly intense reflections | 0.0472 |
| Weighted residual factors for significantly intense reflections | 0.1047 |
| Weighted residual factors for all reflections included in the refinement | 0.123 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 192220 (current) | 2017-02-17 | cif/7 Fixing Z values and formulae |
7118314.cif |
| 175885 | 2016-02-04 | cif/ Updating files of 7118311, 7118312, 7118313, 7118314, 7118315, 7118316 Original log message: Adding full bibliography for 7118311--7118316.cif. |
7118314.cif |
| 173521 | 2016-01-06 | cif/ Adding structures of 7118311, 7118312, 7118313, 7118314, 7118315, 7118316 via cif-deposit CGI script. |
7118314.cif |
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