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Information card for entry 4349152
Preview
| Coordinates | 4349152.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | dikalium_dodekafluorido_closo_dodekaborate |
|---|---|
| Chemical name | dikalium_dodekafluorido_closo_dodekaborate_sulfurdioxide_solvate |
| Formula | C0 H0 B12 F12 K2 O12 S6 |
| Calculated formula | B12 F12 K2 O12 S6 |
| SMILES | [K+].[B]1234([B]567([B]891([B]1%102([B]2%113([B]345(F)[B]45%11([B]%11%12%13([B]124([B]9%10%13([B]78%12([B]635%11F)F)F)F)F)F)F)F)F)F)F.O=S=O.O=S=O.S(=O)=O.[K+].O=S=O.O=S=O.O=S=O |
| Title of publication | Structures of M<sub>2</sub>(SO<sub>2</sub>)<sub>6</sub>B<sub>12</sub>F<sub>12</sub> (M = Ag or K) and Ag<sub>2</sub>(H<sub>2</sub>O)<sub>4</sub>B<sub>12</sub>F<sub>12</sub>: Comparison of the Coordination of SO<sub>2</sub> versus H<sub>2</sub>O and of B<sub>12</sub>F<sub>12</sub><sup>2-</sup> versus Other Weakly Coordinating Anions to Metal Ions in the Solid State. |
| Authors of publication | Malischewski, Moritz; Peryshkov, Dmitry V.; Bukovsky, Eric V.; Seppelt, Konrad; Strauss, Steven H. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 23 |
| Pages of publication | 12254 - 12262 |
| a | 9.377 ± 0.003 Å |
| b | 10.327 ± 0.003 Å |
| c | 13.725 ± 0.004 Å |
| α | 90° |
| β | 97.339 ± 0.005° |
| γ | 90° |
| Cell volume | 1318.2 ± 0.7 Å3 |
| Cell temperature | 143 ± 2 K |
| Ambient diffraction temperature | 143 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0371 |
| Residual factor for significantly intense reflections | 0.0285 |
| Weighted residual factors for significantly intense reflections | 0.0707 |
| Weighted residual factors for all reflections included in the refinement | 0.0766 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 233630 (current) | 2019-11-23 | cif/ Adding structures of 4349152 via cif-deposit CGI script. |
4349152.cif |
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