共查询到20条相似文献,搜索用时 31 毫秒
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(C5H4CH3)3Ho和(C5H4CH3)2Ho(C5H5)与5-本基四唑在THF中反应,得到了复合产物「(C5H4CH3)2HoN4CPh」2.「(C5H4CH3)(C5H5)HoN4CPh」2,该晶体属三斜晶系,P1空间群,晶胞参数为a=9.386(3),b=13.071(3),c=16.571(2)A,α=86.90(1),β=74.61(2),γ=77.30(2)°,V=1912.8(8 相似文献
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[(C2H5)4N]2{Fe4S4[S2CN(C2H5)2]4}的晶体和分子结构 总被引:1,自引:0,他引:1
[(C2H5)4N]2{Fe4S4[S2CN(C2H5)2]4}单晶样品在Nicolet-R3四圆衍射仪上收集X射线衍射数据. 分析结果给出其晶胞参数: a=22.125(6), b=11.313(3),c=25.053A; β=118.05(2)°; V=5534.19A^3, Z=4, 空间群Cc. 衍射数据经过Lρ因子和经验吸收效应校正. 分子中铁原子的位置从三维Patterson图上得到. 接着经过若干轮Fourier和差Fourier电子云密度合成, 发现全部其余非氢原子的坐标.氢原子位置根据理论模型计算. 结构修正最后收敛至R=0.073, Rw=0.069. 标题化合物是由[(C2H5)4N]^+和{FeS4[S2CN(C2H5)2]}^2^-组成的离子型化合物. 结构的主要特点表现在阴离子上, 而在阴离子中含有类立方烷型簇核Fe4S4. 该簇核中每个铁原子与五个硫原子配位, 其配位多面体构型均为畸变的四方锥. 相似文献
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(C5H4CH3)3Ho和(C5H4CH3)2Ho(C5H5)与5-苯基四唑(HN4CPh)在THF中反应,得到复合产物[(C5H4CH3)2HoN4CPh]2·[(C5H4CH3)(C5H5)HoN4CPh]2,该晶体属三斜晶系,P1空间群,晶胞参数为a=9.386(3),b=13.071(3),c=16.571(2)A,a=86.90(1),β=74.61(2),γ=77.30(2)°,V=1912.2(8)A3,Z=1,Dc=1.602g/cm3,Mr=922.61,μ=41.92cm-1,F(000)=896,最终偏离因子R=0.041,Rw=0.056.晶体数据显示,在同一个晶胞里有两个组成不同的分子,每一个分子都是具有对称中心的四唑基桥二聚体结构,其桥环单元-HoN3HoN3-是平面型的。每个钬原子分别被两个茂基和3个四唑基氮原子配位,形成1个边桥变形四面体构型。 相似文献
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Xi Ying ZHAO Machiko ONO Hiroyuki AKITA Yu Ming CHI 《中国化学快报》2006,17(6):727-729
( )-(4S,5R)-Osmundalactone 1 was isolated from the fungus Paxillus atrotomentosus (Paxillaceae) by Buchanan1. (-)-(4R,5S)-Osmundalactone 1 and ( )-(4R,5S)-5-hydroxy- 2-hexen-4-olide 2 were isolated from Osmunda japonica (Osmundaceae) as feeding inhibitors… 相似文献
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(NH_4)_2WS_4,CuCl 和 NH_2OH·HCl 在吡啶溶液中反应可得到红色晶体 WCu_4S_4Cl_2(NC_5H_5)_6.晶体属于单斜晶系,空间群为为 C_(2h)~6-C2/c.晶胞参数为:a=14.883(9),b=12.580(6),c=20.318(9)(?);β=100.50(4)°;Z=4.结构用重原子法解出,经最小二乘法修正,偏离因子R=0.069.分子具有 C_2点群对称性,中心 W 原子以平面四方形形式和四个 Cu 原子结合.W—Cu间平均距离为2.673(?).该化合物为钨铜的混合金属原子簇化合物. 相似文献
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本文测定了Ne-Ks-Q-H_2O体系在P_(H_2O)=5khar下二氧化硅不饱和区域的相图,发现了在霞石—长石结晶分界线上的最高熔融温度(Ne_(37)Ks_(37)Q_(26),715℃).在Ne-Ks体系中固相线与离溶线相交,导致了霞石、六方钾霞石的结晶分界线从Ne-Ks连线延伸至Ne_(25),Ks_(51)Q_(24)在630℃组成“三元系”共结点。高压下富钾熔体的结晶路线可以用来解释天然富钾碱性岩的结晶过程。 相似文献
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1 INTRODUCTION We once reported a CS bond cleavage reaction of (h5-C5Me5)Mo(StBu)3, which led to a Mo(IV) thio/thiolate complex (h5-C5Me5)MoS2(StBu)[1]. This reaction was facilitated by oxidants such as S8, gray selenium, and FeCl3[2]. The reaction with FeCl3 gave rise to a cubane cluster [(h5-C5Me5)2Mo2Fe2S4Cl2], which served as an excellent building block to construct various Mo/Fe/S clusters[2]. In this paper, we report the crystal structure of [(h5-C5Me5)2Mo2Fe… 相似文献
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Ming Wu DING* Jing ZHU Su Fang SHI Xiao Peng LIU Institute of Organic Synthesis Central China Normal University Wuhan Department of Chemistry Central China Normal University Wuhan Center of Analysis Testing Central China 《中国化学快报》2002,13(10)
Many N-heterocycles including 4H-imidazolin-4-ones exhibit biological activities1-3. Some derivatives of 5-(2-furfurylidene)-4H-imidazolin-4-one were found to show good antiinflammatory activity4. They can be synthesized by condensation of furfural with 5- unsubsituted 4H-imidazolin-4-ones or from corresponding oxazolones5,6. However, no synthesis of 2-aryloxy substituted 5-(2-furfurylidene)-4H-imidazolin-4-one was reported. Recently, aza-Wittig reaction has received increased attention … 相似文献
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采用从头计算MP2和CIS方法分别优化等电子双核d8配合物[Pt2(P2O5H2)4]4-和[Pt2(P2O4CH4)4]4-的基态和激发态结构.结果表明基态Pt-Pt距离分别为0.2905和0.2987nm,与实验的0.2925和0.2980nm符合.NBO计算的Pt-Pt键级以及Pt原子间伸缩振动说明Pt-Pt相互作用具有吸引本质.CIS计算揭示电子激发到Pt-Pt的σ(pz)成键轨道使得相互作用增强.保持激发态几何,含时密度泛函理论(TD-DFT)计算的溶液发射分别为449和475nm,与实验值512和510nm接近. 相似文献
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Aryloxyacetic acid and its derivatives often possess many important biological activities. Some of them are used as herbicides and plant-growth regulators. In continuation of our previous work on synthesis and biological activities1,2,3, we decided to design series of compounds containing the aryloxyacetyl group and crown ether to study the variation of bioactivities and the effect of the substituents on the ability of the crown ether to bind metal ions4,5. Recently, we determined related crys… 相似文献
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Werner Schmidt 《Monatshefte für Chemie / Chemical Monthly》1954,85(2):452-453
Ohne Zusammenfassung 相似文献
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Konovalova V. V. Shklyaev Yu. V. Maslivets A. N. 《Russian Journal of Organic Chemistry》2011,47(7):1119-1120
Russian Journal of Organic Chemistry - 相似文献
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SynthesisandCrystalStructureof[(2,4-Me_2C_5H_5)_2NdC=CC_6H_5]_2ZHANGSuo-boandLIUJu-zheng(DepartmentofChemistry,JilinUniversit... 相似文献
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《Journal of Coordination Chemistry》2012,65(3):219-224
Abstract The trietheylaluminum based ferrocenylalane (η5?C5H5)Fe[η5?C5H4Al2(C2H5)4Cl] was prepared from the reaction of triethylaluminum with chloromercuriferrocene in toluene and characterized by single crystal X-ray diffraction. The compound crystallizes in the triclinic space group P 1 with unit cell dimensions a = 9.353(3) Å, b = 10.281(7) Å, c = 11.599(9) Å, α = 79.64(7)°, β = 69.41(6)°, γ = 84.33(4)°, and Z = 2 for Dc = 1.27 g cm?3. Full-matrix least-squares refinement has led to a final R factor of 0.068 based on 1866 independent observed reflections. The two diethylaluminum units are bridged by a chlorine atom and one carbon atom of a cyclopentadienyl group, thus forming an Al-Cl-Al-C ring. The four-membered ring is planar to within 0.02 Å. The Al-Cl distances are 2.404(4) Å and 2.266(5) Å. The Al-Cl-Al angle is 78.9(1)° while the Al-C-Al angle is 91.3(4)°. No significant aluminum-iron interaction is observed (Al… Fe = 3.137(4) Å). 相似文献
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《Journal of organometallic chemistry》1987,320(1):53-62
The structure of the new compound [Mo(η5-C5H5)2(2-NHNC5H4)][PF6] (1) has been determined. The crystals are orthorhombic, space group Pca21 with a 20.807(1), b 8.0030(8), c 10.056(3) Å, V 1674.5 Å3, Z = 4. The structure of [Mo(η5-C5H5)2(2-ONC5H4)][PF6] (2) has also been determined. The crystals are orthorhombic, space group Pnma with a 12.727(3), b 10.174(2), c 12.918(1) Å, V 1672.8 Å3, Z = 4. The structures were solved by Patterson and difference electron density syntheses and refined by least-squares to R of 0.028 for 1287 reflections for 1 and 0.059 for 1178 reflections for 2.Although not isostructural the two cationic complexes have equivalent geometries with the normal bent bismetallocene structure. For 1 the MoN bond lengths are 2.160(8) and 2.142(9) Å, with a NMoN bond angle of 59.8(3)°, whereas for 2 MoO is 2.142(10), MoN is 2.138(11) Å, the NMoO angle is 61.2(4)°. These parameters are discussed and compared with the corresponding data for similar biscyclopentadienyl complexes of molybdenum(IV). Extended Hückel molecular orbital calculations have been carried out to throw light on the nature of the bonding between the metal and the bidentate ligand. 相似文献