Information card for entry 7218866
| Formula |
C30 H22 Cd2 N18 |
| Calculated formula |
C30 H22 Cd2 N18 |
| SMILES |
[n]12c3c4[n](cccc4)[Cd]41(N=N#N)([N](=N#N)[Cd]15([n]6ccccc6c6cccc([n]16)c1[n]5cccc1)(N=N#N)[N]4=N#N)[n]1ccccc1c2ccc3 |
| Title of publication |
Coordination assemblies of CdIIwith 2,2′:6′,2′′-terpyridine (terpy), 2,3,5,6-tetra-(2-pyridyl)pyrazine (tppz) and pseudohalide ions – structural diversification and luminescence properties |
| Authors of publication |
Nawrot, Iwona; Machura, Barbara; Kruszynski, Rafał |
| Journal of publication |
CrystEngComm |
| Year of publication |
2015 |
| Journal volume |
17 |
| Journal issue |
4 |
| Pages of publication |
830 |
| a |
7.7803 ± 0.0004 Å |
| b |
10.2661 ± 0.0004 Å |
| c |
10.722 ± 0.0005 Å |
| α |
81.92 ± 0.004° |
| β |
79.82 ± 0.004° |
| γ |
75.63 ± 0.004° |
| Cell volume |
812.34 ± 0.07 Å3 |
| Cell temperature |
295 K |
| Ambient diffraction temperature |
295 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0384 |
| Residual factor for significantly intense reflections |
0.0318 |
| Weighted residual factors for significantly intense reflections |
0.0632 |
| Weighted residual factors for all reflections included in the refinement |
0.0663 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.017 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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