化合物Cp2Ti(CH3)2 以二當量的化合物(CO)2(NO)Cr[η5 - (C5H4-COOH)] (2) 在二氯甲烷溶劑中去甲基化得化合物Cp2Ti{[OC(O)C5H4]Cr(CO)2(NO)}2 (4). 4 的結構已由X-ray 繞射法解析出。晶體參數如下：Space group, P21/c; monoclinic; a = 15.740(5), b =7.2506(24), c = 25.053(10) Å, β = 108.16(3)o; Z =4. 化合物 4 的一個cynichrodenyl的硝基與 Cp(Cr)環上羰取代基 呈反方向的位向。其 ω 角為177.11o 此環上羰取代基的碳的位向為向著Cr 原子，其 θ 角為0.79o。經由二維異核相對應NMR 光譜儀，化合物Cp2Ti(CH3){[OC(O)C5H4]Cr(CO)2(NO)} 3, 與 4 的C(2)-C(5)的 13C 化學位移得以確認。文中以B3LYP correlation- exchange 的理論計算法得出的電子密度分佈情形，其結果呼應由 C13 NMR 化學位移所得之Cp(Cr) 的電子密度分佈狀況。

Complete demethylation of Cp2Ti(CH3)2 in dichloromethane with 2 molar equivalent of [η5-(C5H4COOH)]Cr(CO)2NO (2) gives Cp2Ti{[OC(O)C5H4]Cr(CO)2NO}2 (4). The structure of 4 has been solved by X-ray diffraction studies: space group, P21/c; monoclinic;a = 15.740(5), b = 7.2506(24), c = 25.053(10) Å, β = 108.16(3)o; Z =4. In one of the cynichrodenyl moieties, the nitrosyl group is located at the site away from the exocyclic carbonyl carbon of the Cp(Cr) ring with twist angle of 177.11o. The exocyclic carbon is bent towards the chromium atom with a θ angle of 0.79o. The electron density distribution in the cyclopentadienyl ring of Cp(Cr), based on the 13C NMR data, are compared with the calculations via density functional B3LYP correlation- exchange method.