Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 7101631
7101630 << 7101631 >> 7101632Preview
|
Coordinates |
7101631.cif |
Structure parameters
| Formula | - C24 H23 B N4 O4 - |
| Calculated formula | - C24 H23 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 | 10.3612 ± 0.0015 Å |
| b | 14.925 ± 0.002 Å |
| c | 15.608 ± 0.002 Å |
| α | 103.098 ± 0.002° |
| β | 97.538 ± 0.003° |
| γ | 95.549 ± 0.003° |
| Cell volume | 2310.5 ± 0.6 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 | 0.1064 |
| Residual factor for observed reflections | 0.0514 |
| Weighted residual factors for the observed reflections | 0.1178 |
| Weighted residual factors for all reflections included in the refinement | 0.146 |
| Goodness-of-fit parameter for observed reflections | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |