摘要：
　　本論文分為兩個部分，第一個部分為九種化合物之單晶結構的決定，其中的配位化合物包括了四配位的Hg、Zn和Mn，五配位的Co和Zn，以及六配位的Co、Fe和Zn，還有一個化合物未配位。本論文中單晶繞射數據的蒐集，全是由清大化學系貴重儀器中心的X光繞射儀蒐集，由廖芬玲小姐所操作，並且index所有繞射數據；本人再利用軟體SHELX97決定所有的單晶結構，並且使用PLATON、ORTEP32和Mercury三套軟體，繪製分子圖及分子堆疊圖，最後對此九種化合物之單晶結構做個簡單的總結。
　　第二部分為兩種蛋白質的養晶，此兩種蛋白質分別為海藻糖合酶(trehalose synthase)以及眼鏡蛇的心臟毒素第4型(Cardiotoxin IV)；主要是說明兩種蛋白質在養晶過程時所遇到的困難，以及現階段的成果，希望對於往後的蛋白質養晶有所助益。

以下為第一部分中九種化合物的化學名稱：

CRS143: Tetrachloro-zinc(II) 1,3-methyl-2-(phenylazo)imidazole Dimethylammonium

CRS177: Di-iodo--[1-methyl-2-(phenylazo)imidazole]mercury(II)

CRS107: Di-(Thiocyanato)-bis-[1-methyl-2-(phenylazo)imidazole]cobalt(II)

CRS83: Di-(Thiocyanato)-bis-[1-ethyl-2-(p-tolylazo)imidazole]iron(II)

CRS123: Di-(azido)-bis-[1-ethyl-2-(naphthyl-□-azo)imidazole]zinc(II)

CRS155: Di-(Thiocyanato)-bis-[1-ethyl-2-(naphthyl-α-azo)imidazole]manganese(II)

Zn39: (1,10-bis(2-Pyridylmethyl)-1,4,7,10-trtra-azadecane)-zinc(II) tetra-isothiocya-natozinc(II)

Zn38: Bis(μ2-N,N'-bis(2-(α-(2-pyridinylmethylene)ethyl)piperazine)-tetraazido-di -zinc(II)

IND313: Diaquo-bis-(μ-1,5)dicyanimodo-dicobalt(II) hexamethylenetetramine

Abstract：

This thesis includes two parts. The first part is the determination of nine single crystal structures of chemical compounds, in which three metallic（Hg, Zn, Mn） compounds are in 4-coordination, two (Co, Zn) in 5-coordination, three (Co, Fe, Zn) in 6-coordination, and the other is without metal. The diffraction data of the single crystals in this thesis were collected by the Instrument Center. SHELX97 was used to determine all single crystal structures, and PLATON, ORTEP32 and Mercury were used to draw the molecular pictures and molecular packing. Finally, the characteristics of the nine single crystal structures were summarized.
The second part is the crystallization of two protein materials. They are trehalosesynthase and cardiotoxin IV. There show some difficulties during protein crystallization process and the results in this stage. I hope the presented results will be helpful for the future crystallization.

The nine compound names of the first part are listed below:

CRS143: Tetrachloro-zinc(II) 1,3-methyl-2-(phenylazo)imidazole Dimethylammonium

CRS177: Di-iodo--[1-methyl-2-(phenylazo)imidazole]mercury(II)

CRS107: Di-(Thiocyanato)-bis-[1-methyl-2-(phenylazo)imidazole]cobalt(II)

CRS83: Di-(Thiocyanato)-bis-[1-ethyl-2-(p-tolylazo)imidazole]iron(II)

CRS123: Di-(azido)-bis-[1-ethyl-2-(naphthyl-□-azo)imidazole]zinc(II)

CRS155: Di-(Thiocyanato)-bis-[1-ethyl-2-(naphthyl-α-azo)imidazole]manganese(II)

Zn39: (1,10-bis(2-Pyridylmethyl)-1,4,7,10-trtra-azadecane)-zinc(II) tetra-isothiocya-natozinc(II)

Zn38: Bis(μ2-N,N'-bis(2-(α-(2-pyridinylmethylene)ethyl)piperazine)-tetraazido-di -zinc(II)

IND313: Diaquo-bis-(μ-1,5)dicyanimodo-dicobalt(II) hexamethylenetetramine

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