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Information card for entry 4086977
Preview
| Coordinates | 4086977.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H25.12 B2 N12 O1.56 |
|---|---|
| Calculated formula | C48 H25.124 B2 N12 O1.562 |
| 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 | 25.711 ± 0.006 Å |
| b | 8.4523 ± 0.0016 Å |
| c | 20.757 ± 0.005 Å |
| α | 90° |
| β | 124.615 ± 0.002° |
| γ | 90° |
| Cell volume | 3712.4 ± 1.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0564 |
| Residual factor for significantly intense reflections | 0.0523 |
| Weighted residual factors for significantly intense reflections | 0.1147 |
| Weighted residual factors for all reflections included in the refinement | 0.1178 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.136 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4086977.cif |
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Users of the data should acknowledge the original authors of the
structural data.