Crystal structure of iodobis(1,10-phenanthroline-k2N,N′)-copper(II) iodo-(μ2-iodo)copper(I) — octasulfur (2:1), [CuI(C12N2H8)2]2[Cu2I4] · S8

Le-Qing Fan
2012 Zeitschrift für Kristallographie - New Crystal Structures  
C 24 H 16 Cu 2 I 3 N 4 S 4 ,orthorhombic, Pccn (no. 56), a =23.109(6) Å, b =15.246(4) Å, c =17.005(4) Å, Source of material Am ixture of Cu(OAc) 2 × H 2 O( 40 mg, 0.2 mmol), NaS 2 CN(C 6 H 5 ) 2 (45 mg, 0.2 mmol), phen (1,10-phenanthroline, 40 mg,0.2 mmol) and NaI × 2H 2 O(37 mg, 0.2 mmol) was stirred in dimethylformamide (20 mL) at 50°C in air for about one day. The vapor of i-PrOH was diffused slowly into the resulting solution, and after about one month black prism-shaped crystals were
more » ... crystals were obtained. Experimental details All non-hydrogen atomsw ere refined anisotropically. TheH atomswere positioned geometrically and refined as riding atoms with d(C-H) =0.93 Å, U iso (H) =1.2 U eq (C). The highest peak (3.04 eÅ -3 )and the deepest hole (-1.93 eÅ -3 )inthe difference Fourier map are located 0.04 Åand 0.60 Åfrom the atomsI3and I1,respectively. The high residual values maybearesult of the disorder at I4.
doi:10.1524/ncrs.2012.0035 fatcat:p5flqomcwfe2tlmoi5ao52gsn4