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Information card for entry 7118584
Preview
| Coordinates | 7118584.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C97 H85 N5 Zn |
|---|---|
| Calculated formula | C97 H85 N5 Zn |
| Title of publication | A quinoidal bis-phenalenyl-fused porphyrin with supramolecular organization and broad near-infrared absorption. |
| Authors of publication | Diev, Vyacheslav V.; Femia, Denise; Zhong, Qiwen; Djurovich, Peter I.; Haiges, Ralf; Thompson, Mark E. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 9 |
| Pages of publication | 1949 - 1952 |
| a | 13.8075 ± 0.0004 Å |
| b | 20.3411 ± 0.0007 Å |
| c | 27.8465 ± 0.0009 Å |
| α | 81.213 ± 0.003° |
| β | 86.01 ± 0.003° |
| γ | 75.367 ± 0.003° |
| Cell volume | 7474.5 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.2037 |
| Residual factor for significantly intense reflections | 0.0843 |
| Weighted residual factors for significantly intense reflections | 0.1683 |
| Weighted residual factors for all reflections included in the refinement | 0.2144 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 174803 (current) | 2016-01-23 | cif/ Adding structures of 7118584 via cif-deposit CGI script. |
7118584.cif |
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Users of the data should acknowledge the original authors of the
structural data.