Information card for entry 7020720
| Formula |
C53 H72 Ag Cl2 N7 O5 |
| Calculated formula |
C53 H72 Ag Cl2 N7 O5 |
| SMILES |
[Ag]12([n]3c(cc([nH]3)c3ccc(OCCCCCCCCCCCC)cc3)c3cccc[n]23)[n]2[nH]c(cc2c2[n]1cccc2)c1ccc(OCCCCCCCCCCCC)cc1.N(=O)(=O)[O-].C(Cl)Cl |
| Title of publication |
Silver-pyrazole complexes as hybrid multifunctional materials with metallomesogenic and photoluminescent behaviour. |
| Authors of publication |
Ovejero, Paloma; Asensio, Eduardo; Heras, José Vicente; Campo, José Antonio; Cano, Mercedes; Torres, M. Rosario; Núñez, Cristina; Lodeiro, Carlos |
| Journal of publication |
Dalton transactions (Cambridge, England : 2003) |
| Year of publication |
2013 |
| Journal volume |
42 |
| Journal issue |
6 |
| Pages of publication |
2107 - 2120 |
| a |
12.5359 ± 0.0017 Å |
| b |
13.0895 ± 0.0016 Å |
| c |
17.37 ± 0.002 Å |
| α |
96.276 ± 0.002° |
| β |
92.882 ± 0.002° |
| γ |
102.947 ± 0.003° |
| Cell volume |
2752.9 ± 0.6 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 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 |
0.3376 |
| Residual factor for significantly intense reflections |
0.0852 |
| Weighted residual factors for significantly intense reflections |
0.1732 |
| Weighted residual factors for all reflections included in the refinement |
0.2262 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.95 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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