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Information card for entry 1504001
Preview
| Coordinates | 1504001.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H32 Br N4 Ni O0.5 |
|---|---|
| Calculated formula | C44 H31 Br N4 Ni O0.5 |
| Title of publication | Unprecedented degradation of nickel(II) 2,3,12,13-tetrabromo-5,10,15,20-tetraarylporphyrins by the anion of E-benzaldoxime: a novel approach to nickel(II) chlorophins and bacteriophins. |
| Authors of publication | Li, Ke-Lai; Guo, Can-Cheng; Chen, Qing-Yun |
| Journal of publication | Organic letters |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 13 |
| Pages of publication | 2724 - 2727 |
| a | 15.775 ± 0.0016 Å |
| b | 12.4675 ± 0.0013 Å |
| c | 17.5806 ± 0.0018 Å |
| α | 90° |
| β | 93.757 ± 0.002° |
| γ | 90° |
| Cell volume | 3450.2 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1244 |
| Residual factor for significantly intense reflections | 0.0882 |
| Weighted residual factors for significantly intense reflections | 0.2311 |
| Weighted residual factors for all reflections included in the refinement | 0.2435 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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