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Information card for entry 1558173
Preview
| Coordinates | 1558173.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Thallium(III) Bicyclic Phthalocyanine |
|---|---|
| Formula | C48 H24 N13 Tl |
| Calculated formula | C48 N13 Tl |
| SMILES | [Tl]12345n6c7=NC8c9c(C%10(N=c%11n2c(=NC2=[N]1C(N=c6c1c7cccc1)(N=c1n4c(=Nc4[n]5c(=N%10)c5c4cccc5)c4c1cccc4)c1ccccc21)c1ccccc%111)[N]3=8)cccc9 |
| Title of publication | Synthesis and Crystal Structure of Thallium(III) Bicyclic Phthalocyanine |
| Authors of publication | Janczak, Jan; Kubiak, Ryszard |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1995 |
| Journal volume | 49 |
| Pages of publication | 871 - 877 |
| a | 11.677 ± 0.002 Å |
| b | 12.391 ± 0.003 Å |
| c | 16.047 ± 0.003 Å |
| α | 75.65 ± 0.03° |
| β | 86.44 ± 0.03° |
| γ | 65.33 ± 0.03° |
| Cell volume | 2041.8 ± 0.9 Å3 |
| Ambient diffraction temperature | 298 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 significantly intense reflections | 0.0628 |
| Weighted residual factors for significantly intense reflections | 0.082 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.77 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252644 (current) | 2020-06-04 | cif/ Adding structures of 1558173 via cif-deposit CGI script. |
1558173.cif |
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