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CIF Information Card
Information card for 7101629
7101628 << 7101629 >> 7101630Preview
|
Coordinates |
7101629.cif |
Structure parameters
| Formula | - C21 H20 N4 - |
| Calculated formula | - C21 H20 N4 - |
| Title of publication | Formazans as beta-diketiminate analogues. Structural characterization of boratatetrazines and their reduction to borataverdazyl radical anions. |
| Authors of publication | Gilroy, Joe B; Ferguson, Michael J; McDonald, Robert; Patrick, Brian O; Hicks, Robin G |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2006 |
| Journal issue | 2 |
| Pages of publication | 126 - 128 |
| a | 7.83 ± 0.001 Å |
| b | 21.154 ± 0.002 Å |
| c | 22.289 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3691.9 ± 0.8 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Hermann-Mauguin symmetry space group | P b c a |
| Hall symmetry space group | -P 2ac 2ab |
| Residual factor for all reflections | 0.1413 |
| Residual factor for observed reflections | 0.0576 |
| Weighted residual factors for the observed reflections | 0.1341 |
| Weighted residual factors for all reflections included in the refinement | 0.1788 |
| Goodness-of-fit parameter for observed reflections | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |