Information card for entry 7035475
| Formula |
C50 H54 B F24 K N6 |
| Calculated formula |
C50 H54 B F24 K N6 |
| Title of publication |
Aza-macrocyclic complexes of the Group 1 cations - synthesis, structures and density functional theory study. |
| Authors of publication |
Dyke, John; Levason, William; Light, Mark E.; Pugh, David; Reid, Gillian; Bhakhoa, Hanusha; Ramasami, Ponnadurai; Rhyman, Lydia |
| Journal of publication |
Dalton transactions (Cambridge, England : 2003) |
| Year of publication |
2015 |
| Journal volume |
44 |
| Journal issue |
31 |
| Pages of publication |
13853 - 13866 |
| a |
10.349 ± 0.002 Å |
| b |
10.587 ± 0.003 Å |
| c |
25.748 ± 0.006 Å |
| α |
81.88 ± 0.009° |
| β |
83.812 ± 0.008° |
| γ |
88.221 ± 0.009° |
| Cell volume |
2776.2 ± 1.2 Å3 |
| Cell temperature |
100 ± 2 K |
| Ambient diffraction temperature |
100 ± 2 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 |
0.0736 |
| Residual factor for significantly intense reflections |
0.0495 |
| Weighted residual factors for significantly intense reflections |
0.1205 |
| Weighted residual factors for all reflections included in the refinement |
0.134 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.025 |
| Diffraction radiation wavelength |
0.71075 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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