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Information card for entry 4123883
Preview
| Coordinates | 4123883.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | F6 H26 K8 Mn Na O69 W17 |
|---|---|
| Calculated formula | F6 K8 Mn0.999 Na O69 W17.001 |
| SMILES | [W]1234(O[W]567([F][W]89(O[W]%10%11(O1)([O]4[W]1(O2)(O%11)(O[W]24%11([F][W](O%10)(O2)(=[O][Mn]2%10([O]=[W]%12%13([F][W]%14(O7)(O[W]7%15%16(O[W]%17%18([F][W]%19(O[W]%20([F][W](O3)(O6)(O%17)(=O)O%20)(O1)(O%11)=O)(O[W](F)(O4)(=[O]2)(O[W]1(O%19)(O7)(O[W](O%12)(=[O]%10)([O]%151)(O%16)=O)=O)=O)(O%18)=O)(O%14)=O)=O)(O%13)=O)(O9)=O)[OH2])(=O)O8)=O)=O)=O)(O5)=O)=O)=O.[Na+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].O.O.O.O.O.O.O.O.O.O.O.O.O |
| Title of publication | Reactivity and O2 Formation by Mn(IV)- and Mn(V)-Hydroxo Species Stabilized within a Polyfluoroxometalate Framework. |
| Authors of publication | Schreiber, Roy E.; Cohen, Hagai; Leitus, Gregory; Wolf, Sharon G.; Zhou, Ang; Que, Jr, Lawrence; Neumann, Ronny |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 27 |
| Pages of publication | 8738 - 8748 |
| a | 12.2907 ± 0.0007 Å |
| b | 12.8548 ± 0.0007 Å |
| c | 29.2936 ± 0.0016 Å |
| α | 87.98 ± 0.002° |
| β | 90.005 ± 0.002° |
| γ | 61.462 ± 0.002° |
| Cell volume | 4062.6 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0789 |
| Residual factor for significantly intense reflections | 0.0577 |
| Weighted residual factors for significantly intense reflections | 0.1438 |
| Weighted residual factors for all reflections included in the refinement | 0.1576 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 152844 (current) | 2015-08-05 | cif/ Updating files of 4123881, 4123882, 4123883, 4123884 Original log message: Adding full bibliography for 4123881--4123884.cif. |
4123883.cif |
| 139810 | 2015-07-01 | cif/ Adding structures of 4123883 via cif-deposit CGI script. |
4123883.cif |
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Users of the data should acknowledge the original authors of the
structural data.