Information card for entry 7011884
Chemical name |
1-Aza-4,10,15-trithia-7(1,3,5)-benzenabicyclo[5.5.5]heptadecaphan |
Formula |
C18 H27 N S3 |
Calculated formula |
C18 H27 N S3 |
SMILES |
S1CCc2cc3cc(c2)CCSCCN(CC1)CCSCC3 |
Title of publication |
Central vs. peripheral Ag(i) coordination in NS3-open chain and cage ligands |
Authors of publication |
Baumeister, Jan M.; Alberto, Roger; Ortner, Kirstin; Spingler, Bernhard; August Schubiger, P.; Kaden, Thomas A. |
Journal of publication |
Journal of the Chemical Society, Dalton Transactions |
Year of publication |
2002 |
Journal issue |
22 |
Pages of publication |
4143 |
a |
8.9341 ± 0.0006 Å |
b |
15.0765 ± 0.0009 Å |
c |
13.6182 ± 0.0009 Å |
α |
90° |
β |
100.668 ± 0.008° |
γ |
90° |
Cell volume |
1802.6 ± 0.2 Å3 |
Cell temperature |
183 ± 2 K |
Ambient diffraction temperature |
183 ± 2 K |
Number of distinct elements |
4 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for all reflections |
0.0495 |
Residual factor for significantly intense reflections |
0.0392 |
Weighted residual factors for significantly intense reflections |
0.1038 |
Weighted residual factors for all reflections included in the refinement |
0.107 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.041 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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https://www.crystallography.net/7011884.html