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Information card for entry 1547770
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| Coordinates | 1547770.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Cesiumtris(decafluordiphenylamide)fluoroaluminate |
|---|---|
| Formula | C57 H24 Al Cs F31 N3 |
| Calculated formula | C57 H24 Al Cs F31 N3 |
| SMILES | c1(c(c(c(c(c1F)F)F)F)F)N(c1c(c(c(c(c1F)F)F)F)F)[Al](N(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)(N(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)F.c1(ccccc1)C.c1(ccccc1)C.c1(C)ccccc1.[Cs+] |
| Title of publication | The Lewis superacid Al[N(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub> and its higher homolog Ga[N(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>]<sub>3</sub> - structural features, theoretical investigation and reactions of a metal amide with higher fluoride ion affinity than SbF<sub>5</sub>. |
| Authors of publication | Kögel, J F; Sorokin, D. A.; Khvorost, A.; Scott, M.; Harms, K.; Himmel, D.; Krossing, I.; Sundermeyer, J. |
| Journal of publication | Chemical science |
| Year of publication | 2018 |
| Journal volume | 9 |
| Journal issue | 1 |
| Pages of publication | 245 - 253 |
| a | 13.0294 ± 0.0005 Å |
| b | 26.0373 ± 0.0007 Å |
| c | 16.8481 ± 0.0006 Å |
| α | 90° |
| β | 92.421 ± 0.003° |
| γ | 90° |
| Cell volume | 5710.6 ± 0.3 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0828 |
| Residual factor for significantly intense reflections | 0.0601 |
| Weighted residual factors for significantly intense reflections | 0.1657 |
| Weighted residual factors for all reflections included in the refinement | 0.1779 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276343 (current) | 2022-06-28 | cif/1/54/77/ Removed the '_chemical_name_systematic' data item that had an incorrect value from entries 1547767-1547771. |
1547770.cif |
| 228672 | 2019-11-17 | cif/ Updating files of 1547767, 1547768, 1547769, 1547770, 1547771 Original log message: Adding full bibliography for 1547767--1547771.cif. |
1547770.cif |
| 202258 | 2017-10-24 | cif/ Adding structures of 1547767, 1547768, 1547769, 1547770, 1547771 via cif-deposit CGI script. |
1547770.cif |
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Users of the data should acknowledge the original authors of the
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