The molecular and crystal structures of 1,1'-disubstituted ferrocene derivative, 1,1'-bis[2-[4-(4-methoxyphenoxycarbonyl)phenoxy]ethoxycarbonyl]ferrocene (bMAF-2) were determined by X-ray diffraction method using the single crystals. The trans conformation (novel "Z" shape) in which the two substituents existed in the opposite directions was found out newly. The structure was different from the cis conformation ("U" shape) and the trans conformation ("S" shape) reported already. It may be one of the most important reasons why bMAF-2 ("Z" shape) shows no liquid crystallinity that the ratio of the width to length is rather large compared with those of other liquid crystalline homologues ("U" shape and "S" shape).