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Information card for entry 4086976
Preview
| Coordinates | 4086976.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H12 B F3 N6 O3 S |
|---|---|
| Calculated formula | C25 H12 B F3 N6 O3 S |
| Title of publication | Synthesis, Characterization, and Reactivity Studies of Subphthalocyanine Boron Triflate |
| Authors of publication | Wang, Zikuan; Fu, Xuefeng |
| Journal of publication | Organometallics |
| Year of publication | 2017 |
| Journal volume | 36 |
| Journal issue | 2 |
| Pages of publication | 285 |
| a | 11.109 ± 0.002 Å |
| b | 19.38 ± 0.004 Å |
| c | 23.085 ± 0.005 Å |
| α | 90° |
| β | 93.32 ± 0.03° |
| γ | 90° |
| Cell volume | 4961.7 ± 1.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.091 |
| Residual factor for significantly intense reflections | 0.0828 |
| Weighted residual factors for significantly intense reflections | 0.2446 |
| Weighted residual factors for all reflections included in the refinement | 0.2562 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 191285 (current) | 2017-02-04 | cif/ Adding structures of 4086976, 4086977, 4086978, 4086979, 4086980, 4086981 via cif-deposit CGI script. |
4086976.cif |
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Users of the data should acknowledge the original authors of the
structural data.