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用Ｘ－射线晶体结构衍射法测定了双［１－苄基－１－乙基丙基环戊二烯基］二氯化锆［η５－Ｃ５Ｈ４Ｃ（Ｃ２Ｈ５）２ＣＨ２Ｃ６Ｈ５］２ＺｒＣｌ２（Ｉ）及（１，２－二异丁基－１，２－甲基－乙基桥联）双环戊二烯基二氯化锆［η５－Ｃ５Ｈ４Ｃ（ＣＨ３）（Ｃ４Ｈ９－ｉ）Ｃ（ＣＨ３）（Ｃ４Ｈ９－ｉ）Ｃ５Ｈ４－η５］ＺｒＣｌ２（Ⅱ）的结构。二者皆为单斜晶系，（Ｉ）的空间群为Ｐ２／ｎ，ａ＝１２．５８２（３），ｂ＝７．９９２（２），ｃ＝１４．９７９（３）Ａ，β＝１０１．６８（１）°，Ｖ＝１４７４．９（９）Ａ３，Ｍｒ＝６１２．８４，Ｚ＝２，Ｄｘ＝１．３８ｇ／ｃｍ３，μ＝５．６９ｃｍ（－１），Ｆ（０００）＝６４０，Ｒ＝０．０３３，Ｒω＝０．０３６。（Ⅱ）的空间群为Ｃｃ，ａ＝１３．３０９（３），ｂ＝９．５９１（１），ｃ＝１６．４４９（８）Ａ。β＝４．８３（３）°，Ｖ＝２０９．２（２）Ａ３，Ｍｒ＝４５８．６３，Ｚ＝４，Ｄｘ＝１．４５６ｇ／ｃｍ３，μ＝７．７７ｃｍ（－１），Ｆ（０００）＝９５２，Ｒ＝０．０５１，Ｒω＝０．０６１。化合物（Ｉ）以重叠式存在，两个苄基处于反式。晶体（Ⅱ）以交叉式存在，甲基、异丁基以反式构象存在。
The molar ratio of bis [1-benzyl-1-ethylpropylcyclopentadienyl] zirconium dichloride [η5-C5H4C (C2H5) 2CH2C6H5] 2ZrCl2 (I) and (1, Dicyclopentadienyl zirconium dichloride [η5-C5H4C (CH3) (C4H9-i) C (CH3) (C4H9-i) C5H4 -η5] ZrCl2 (Ⅱ) structure. (I) has a space group of P2 / n, a = 12.582 (3), b = 7.992 (2), c = 14.979 (3) A, and β = 101.68 (1) °, V = 1474.9 (9) A3, Mr = 612.84, Z = 2, Dx = 1.38g / cm3, μ = 5.69cm (-1), F = 640, R = 0.033, Rω = 0.036. (Ⅱ) space group is Cc, a = 13.309 (3), b = 9.591 (1), c = 16.449 (8) A. β = 4.83 (3) °, V = 209.2 (2) A3, Mr = 458.63, Z = 4, Dx = 1.456 g / cm 3, μ = 7.77 cm -1, F 000) = 952, R = 0.051, Rω = 0.061. Compound (I) exists in overlapping fashion, with two benzyl groups in trans. Crystals (II) exist in a crossed manner, and methyl and isobutyl exist in a trans conformation.