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Information card for entry 2105301
Preview
| Coordinates | 2105301.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C60 H32 B2 Cl4 N12 O |
|---|---|
| Calculated formula | C60 H32 B2 Cl4 N12 O |
| Title of publication | The first report of the crystal structure of non-solvated μ-oxo boron subphthalocyanine and the crystal structures of two solvated forms |
| Authors of publication | Fulford, Mabel V.; Lough, Alan John; Bender, Timothy P. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 6 |
| Pages of publication | 636 - 645 |
| a | 11.3894 ± 0.0003 Å |
| b | 13.2623 ± 0.0003 Å |
| c | 17.6618 ± 0.0006 Å |
| α | 78.347 ± 0.0016° |
| β | 85.616 ± 0.0013° |
| γ | 76.74 ± 0.0017° |
| Cell volume | 2541.89 ± 0.13 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1671 |
| Residual factor for significantly intense reflections | 0.0848 |
| Weighted residual factors for significantly intense reflections | 0.1757 |
| Weighted residual factors for all reflections included in the refinement | 0.217 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.