Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 7101632
7101631 << 7101632 >> 7101633Preview
|
Coordinates |
7101632.cif |
Structure parameters
| Formula | - C25 H25 B N4 O4 - |
| Calculated formula | - C25 H25 B N4 O4 - |
| 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 | 9.8688 ± 0.0013 Å |
| b | 10.669 ± 0.0014 Å |
| c | 12.4677 ± 0.0017 Å |
| α | 87.363 ± 0.002° |
| β | 80.634 ± 0.002° |
| γ | 66.5696 ± 0.0018° |
| Cell volume | 1188.2 ± 0.3 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.0468 |
| Residual factor for observed reflections | 0.0394 |
| Weighted residual factors for the observed reflections | 0.1059 |
| Weighted residual factors for all reflections included in the refinement | 0.1117 |
| Goodness-of-fit parameter for observed reflections | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |