- 作者: 盧天惠; 李宗仁; 李曾逾; 梁碧?; 鍾崇
- 作者服務機構: 國立清華大學物理系; 國立清華大學化學系
- 中文摘要: 本文以X一射線繞射往測定一個含1.5個結晶水之黃色同分異構過氯酸巨環鎳錯化合物的晶體結構。此化合物的分子式為[Ni(C H N)](ClO)·1.5 HO, 分子量=621.22,屬四方晶系,空間群為I4,線吸收係數μ(Mk)=0.916mm ,a=b=25.890 (18), c=8.598 (8) A, U=5763.2A and Z=8. F(0,0,0)=2636.8,室溫做實驗。D=1.432,Dm=1.432(1)Mgm(在庚烷和四氯化碳混合溶液中以漂浮法測得)。由重元素和最小平方配適法解得此化合物之結構。對1941個反射點資料計算,最後得R=0.09,Rw=0.06。在水分子、巨環配位子之胺基團和過氯酸離子的氧原子之間廣泛存在著氫鍵,兩個鄰位甲基團在巨環平面的同邊,與兩個胺氫反邊。水分子在此巨環分子與晶體結構中扮演重要角色。
- 英文摘要: The title compound,[Ni(C H N)](Cl0)·1.5 HO, MW=621.22, Space group 14, μ(MoKα)=0.916 mm ,a=b=25.890 (18), c=8.598 (8) A, U=5763.2A and Z=8. F(0,0,0)=2636.8, room tem-perature, Dm=1.432(1)(by flotation in a mixture of heptane and carbon tetrachloride), Dx=1.432 Mg m.The structure has been solved by heavy atom method and least-squares procedure. Final R=0.09 Rw=0.06, for 1941 reflections. There exist hydrogen bonds between water molecules, amine groups of themacrocyclic ligand and an oxygen atom of each perchlorate ion The two gemmethyl groups are on thesame side of the macrocyclic plane and are opposite to the two amine hydrogens. The water moleculesplay an important role in the molecular and crystal structure.
- 中文關鍵字: x-ray crystal structure determination; macrocyclic complex hydrate
- 英文關鍵字: --