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Information card for entry 1560083
Preview
| Coordinates | 1560083.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C108 H98 Mn4 Mo9 N3 O43 P5 |
|---|---|
| Calculated formula | C108 H98 Mn4 Mo9 N3 O43 P5 |
| SMILES | P123=[O]45[Mn]6789[O]=C(O[Mn]%10%11%12%13[O]=C(O[Mn]%14%154([O]6%11)[O]%12[Mn]45([O]=C(O%10)C)([O]7%13)O[Mo]567(O[Mo]%10%11(O%15)(O[Mo]%12%13(O%14)(O[Mo]%14%15(O9)(=O)O[Mo]9%16(O8)(O[Mo]8(O4)(O5)(=O)[O]39[Mo]3(O8)(O%16)(O[Mo]([O]26%10)(O%11)(O7)(O[Mo]([O]1%12%14)(O%15)(O%13)(=O)O3)=O)=O)=O)=O)=O)=O)C)C.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.N#CC.N#CC.N#CC |
| Title of publication | A protecting group strategy to access stable lacunary polyoxomolybdates for introducing multinuclear metal clusters |
| Authors of publication | Li, Chifeng; Jimbo, Atsuhiro; Yamaguchi, Kazuya; Suzuki, Kosuke |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| Journal volume | 12 |
| Journal issue | 4 |
| Pages of publication | 1240 - 1244 |
| a | 16.1432 ± 0.0003 Å |
| b | 18.3888 ± 0.0004 Å |
| c | 24.571 ± 0.0006 Å |
| α | 94.772 ± 0.002° |
| β | 109.004 ± 0.002° |
| γ | 106.661 ± 0.002° |
| Cell volume | 6480.2 ± 0.3 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 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 | 0.1362 |
| Residual factor for significantly intense reflections | 0.0911 |
| Weighted residual factors for significantly intense reflections | 0.2306 |
| Weighted residual factors for all reflections included in the refinement | 0.2609 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 262533 (current) | 2021-03-05 | cif/ Updating files of 1560083, 1560084 Original log message: Adding full bibliography for 1560083--1560084.cif. |
1560083.cif |
| 260927 | 2021-01-14 | cif/ Adding structures of 1560083, 1560084 via cif-deposit CGI script. |
1560083.cif |
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Users of the data should acknowledge the original authors of the
structural data.