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Information card for entry 1547767
Preview
| Coordinates | 1547767.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Aluminumtris(decafluordiphenylamide) |
|---|---|
| Formula | C36 Al F30 N3 |
| Calculated formula | C36 Al F30 N3 |
| SMILES | [Al]12(N(c3c(c(c(c(c3F)F)F)F)F)c3c(c(c(c(c3[F]1)F)F)F)F)(N(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1[F]2)F)F)F)F)N(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F |
| 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 | 10.86 ± 0.001 Å |
| b | 12.7006 ± 0.0011 Å |
| c | 14.3671 ± 0.0013 Å |
| α | 73.501 ± 0.01° |
| β | 72.779 ± 0.011° |
| γ | 89.315 ± 0.011° |
| Cell volume | 1809.2 ± 0.3 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0661 |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for significantly intense reflections | 0.0839 |
| Weighted residual factors for all reflections included in the refinement | 0.0914 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.853 |
| Diffraction radiation wavelength | 0.71073 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. |
1547767.cif |
| 228672 | 2019-11-17 | cif/ Updating files of 1547767, 1547768, 1547769, 1547770, 1547771 Original log message: Adding full bibliography for 1547767--1547771.cif. |
1547767.cif |
| 202258 | 2017-10-24 | cif/ Adding structures of 1547767, 1547768, 1547769, 1547770, 1547771 via cif-deposit CGI script. |
1547767.cif |
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