CAJ | 학술논문

标题化合物由AgI、CuI和(n-C4H9)4NI在DMF溶剂中直接反应而得.晶体结.构通过单晶X-射线衍射法确定,其晶体属于单斜晶系,空间群P21/c,a = 9.4342(4), b = 15.7638(7), c = 18.877(1)A。, β = 100.65(1)°, V = 2758.9(2) A。3, 化学式C32H72N2Ag4.95Cu1.05I8, Mr = 2100.79, Dc = 2.529 g/cm3 , Z = 2, μ(MoKα) = 6.618 cm-1, F(000) = 1930.在1.70≤θ≤27.46°范围内收集到22473个衍射点,独立衍射点6175 (Rint = 0.0753),其中可观测衍射点4158个(I＞2σ(I)).晶体结构用直接法和差傅立叶合成方法找出初步结构模型,再分别对Ag和Cu的坐标进行修正,最后用全矩阵最小二乘法对266个变量进行精修,最终偏离因子R = 0.0476, Wr = 0.1315.标题化合物的结构由[(M6I8)-]∞阴离子链和链间的n-Bu4N+阳离子组成.
표제화합물유AgI、CuI화(n-C4H9)4NI재DMF용제중직접반응이득.정체결.구통과단정X-사선연사법학정,기정체속우단사정계,공간군P21/c,a = 9.4342(4), b = 15.7638(7), c = 18.877(1)A。, β = 100.65(1)°, V = 2758.9(2) A。3, 화학식C32H72N2Ag4.95Cu1.05I8, Mr = 2100.79, Dc = 2.529 g/cm3 , Z = 2, μ(MoKα) = 6.618 cm-1, F(000) = 1930.재1.70≤θ≤27.46°범위내수집도22473개연사점,독립연사점6175 (Rint = 0.0753),기중가관측연사점4158개(I＞2σ(I)).정체결구용직접법화차부립협합성방법조출초보결구모형,재분별대Ag화Cu적좌표진행수정,최후용전구진최소이승법대266개변량진행정수,최종편리인자R = 0.0476, Wr = 0.1315.표제화합물적결구유[(M6I8)-]∞음리자련화련간적n-Bu4N+양리자조성.