Am. Chem. Soc. 1977, 99, 5304. [8] Crystal data for DBA(TCNQ) 2 : C 32 H 28 N 9 , M r = 538.63, triclinic, space group P1 (no. 2), a = 6.6650(13) , b = 14.259(3) , c = 15.962(3) ; a = 83.25(3), b = 79.37(3), c = 89.97(3);F(000) = 566, R1 (wR2) = 0.0585 (0.1597) (I > 2r(I)), R1 (wR2) = 0.1233 (0.1788) (all data), GOF = 1.016. Data was collected on a Rigaku RAXIS RAPID IP diffractometer in the range 2.62 < 2B < 27.48 at 293(2) K with graphite-monochromatized Mo Ka radiation (k = 0.71073 ). 6435 reflections measured, 2879 observed with I > 2r(I). The structure was solved by direct methods and successive difference maps (SHELXS-98) and refined by full-matrix least squares on F 2 using all unique data (SHELXL 98). The non-hydrogen atoms were refined anisotropically, while the hydrogen atoms were included in their calculated positions with geometrical constants and refined in the riding model. The highest peaks and holes in the final difference map were 0.242 and ±0.202 e ± ±3 , respectively.CCDC-221 730 contains the supplementary crystallographic data for this paper. This data can be obtained free of charge at www.ccdc.cam.ac.uk/conts/retrieving.html (or from the Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ (UK).
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.