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Information card for entry 1548070
Preview
| Coordinates | 1548070.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [In3(BIPY)6][Al(OC(CF3)3)4]3 |
|---|---|
| Formula | C108 H48 Al3 F108 In3 N12 O12 |
| Calculated formula | C108 H48 Al3 F108.001 In3 N12 O12.0001 |
| SMILES | [In]123([In]45([In]61([n]1ccccc1c1[n]6cccc1)[n]1c(c6ncccc6)cccc1)([n]1ccccc1c1[n]4cccc1)[n]1ccccc1c1[n]5cccc1)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.[Al](OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.[Al](OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.[Al](OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F |
| Title of publication | Cationic cluster formation versus disproportionation of low-valent indium and gallium complexes of 2,2'-bipyridine |
| Authors of publication | Martin R. Lichtenthaler; Florian Stahl; Daniel Kratzert; Lorenz Heidinger; Erik Schleicher; Julian Hamann; Daniel Himmel; Stefan Weber; Ingo Krossing |
| Journal of publication | Nature Communications |
| Year of publication | 2015 |
| Journal volume | 6 |
| Pages of publication | 8288 |
| a | 22.4009 ± 0.0011 Å |
| b | 30.7088 ± 0.0016 Å |
| c | 20.4177 ± 0.001 Å |
| α | 90° |
| β | 95.459 ± 0.002° |
| γ | 90° |
| Cell volume | 13981.7 ± 1.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0755 |
| Residual factor for significantly intense reflections | 0.068 |
| Weighted residual factors for significantly intense reflections | 0.1492 |
| Weighted residual factors for all reflections included in the refinement | 0.153 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.204 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203253 (current) | 2017-11-17 | cif/ Adding structures of 1548070 via cif-deposit CGI script. |
1548070.cif |
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