乙酰基二茂铁的晶体和分子结构

乙酰基二茂铁是按付氏酰基化反应制备的,在CH_2Cl_2溶剂中培养得到血红色柱状晶体,经元素分析及结构分析共分子式为C_(12)H_(12)OFe。在CAD4-四园衍射仪上用Mo K_a射线以θ—2θ扫描在3°≤2θ≤56°范围收集衍射数据,经LP因子及经验     

Syntheses and Crystal Structures of Two Cyano-bridged Bimetallic Complexes [Ce(DMSO)_4(H_2O)_3Fe(CN)_6]·H_2O and [La(DMSO)_4(H_2O)_3Co(CN)_6]·H_2O(DMSO = Dimethylsulfoxide)

1INTRODUCTION Recently,cyano-bridged lanthanide-transition me-tal complexes have been extensively investigateddue to their potential applications as precursors in the preparation of rare earth orthoferrites,fluores-cent and magnetic materials[1].Various complexes of this system have been obtained in order to ex-plore the relations between structures and pro-perties by using different ligands,such as DMF,4,4?-bipy,and so on,to fill the coordination sites of lanthanide ions[2～9].But up to…     

Synthesis and Structure of Paramagnetic β-Octamolybdate Complex,[Fe(2,2''-bipy)3]2[Mo8O26]·6H2O

A novel octamolybdate complex, [Fe(2,2-bipy)3]2[Mo8O26]·6H2Ohas been synthesized via the hydrothermal technique, and it crystallizes in monoclinic, space group P21/c with two molecules in a unit cell: a = 1.2 1 512(5), b = 1.36840(5), c = 2.18823(9) nm, β = 90.515( 1 )°, Mr = 2340.42, Z = 2, V = 3.6384(2) nm3, Dc = 2.136 g/cm3, F(000) = 2296, λ,(MoKα) = 0.071073 nm, μ = 1.813 mm 1, R =0.0719 and wR = 0.1093 for 4058 observed reflections with I≥2σ(I). The structure is characterized by the co-existence of octahedral [Fe(2,2′-bipy)3]2+ cations and β-octamolybdate [Mo8O26]4- anions. The magnetic susceptibility data show a Curie-Weiss paramagnetic behavior (θ = -5.201 K) in accordance with the spin-only ground state of Fe11 ions. IR, UV-Vis, and EPR spectra are also briefly noted in this paper.     

One-Dimensional Hydrogen-bonded Double Chain Composed of a Copper(II) Complex with Chelidamic Acid

1INTRODUCTION Chelidamic acid(2,6-dicarboxy-4-hydroxypyri-dine),an emblematical polydentate ligand,has been of great attraction due to its usage in many areas of science,such as coordinate chemistry,biochemis-try,organic chemistry,medical chemistry and even in HIV investigation[1].More and more metal com-plexes containing chelidamic acid ligands have been reported,which play a significant role in de-signing the molecules and extending chemistry of chelidamic acid[2].In our previous paper…     

Synthesis and Crystal Structure of Potassium triaqua（ethyleneamin—N,N,N‘,N’—tetraacetate）gadolinium（Ⅲ）pentahydrate

1 INTRODUCTION The chemistry of lanthanide (Ⅲ) complexes has a considerable history. The stereochemistry of the lanthanide (Ⅲ) complexes with ethyleneamine- N, N, N, N-tetraacetate (Edta) has been investigated[1~10]. Up to now, many Ln-Edta complexes with the chemical formulae of M[Ln(Edta)(H2O)m]nH2O (M = Na+, K+, Cs+, NH4+, Guanium; m = 2, 3; n = 0, 1, 3, 5) have been reported and suggested that the coordination modes and crystal systems for the Ln-Edta complexes depend on …     

乙二醇二甲醚三苯基氧化膦三氯合铬Cr[(CH3OCH2CH2OCH3)(OPPh3)Cl3]的合成和晶体结构

标题配合物由Cr(CO)₆和PPh₃在50ml乙二醇二甲醚中回流5小时后过滤,在滤液中加S₂Cl₂,静置后得配合物单晶。晶体属单斜晶系,空间群为P2₁,单胞参数a=9.062(3)Å,b=11.088(3)Å,c=12.153(3)Å,β=97.93(1)°,V=1209.4(1.8)ų,Z=2。 晶体结构是采用Patterson法和差Fourier合成解出。经全矩阵最小2乘法修正,最后偏离因子R=0.046,R_ω=0.054,结构中Cr各与三个氧和三个氯原子键联,Cr-O(CH₃OCH₂CH₂OCH₃)平均距离为2.091Å,Cr-O(OPPh₃)距离为2.000Å,Cr-Cl(平均)距离为2.274Å。它们形成了八面体配位构型。     

双齿配体八配位镧系配合物的结构化学研究——La[(S2CNC4H8)3·C4H8O·H2O]的合成和晶体结构

镧的配合物La[(S_2CNC_4H_8)_3·C_4H_8O·H_2O]是由LaCl_3和Na(S_2CNC_4H_8)·2H_2O在四氢呋喃中反应而获得的。它的晶体属于三斜晶系,空间群为Pi,单胞参数a=10.557(2)(?),b=10.943(3)(?),c=13.443(3)(?),α=101.83(2)(?),β=9306(2)°,γ=114.90(2)°,V=1391.9(1.5)(?)~3,Z=2。 晶体结构是采用Patterson法和几轮的差Fourier合成解出的。所有非氢原子的位置参数和各向异性热振动参数经全矩阵最小二乘法修正,最后偏离因子R=0.032,R_w=0.046。分子结构中La原子同三个(S_2CNC_4H_8)~-中的六个S原子和分别来自四氢呋喃分子和水分子中的二个O原子键联。La—S平均距离2.973(?),La—O距离分别为2.596(?)(THF)和2.555(?)(H_2O),它们形成一个扭变三角形十二面体的配位多面体构型。     

Synthesis and Re—refinement of Cu3PSe4

1 INTRODUCTION The chemistry of mixed 15/16 main group compounds has attracted great attentions over the last years[1]. The metal chalcogenophosphides synthesized by solid state reactions[2] are the potential candidates for a wide range of applications such as semiconducting properties, two-dimensional magnetic behavior, anisotropy of conductivity and charge density waves. Some of these compounds are of lamellar structure, which are good materials for the investigation of intercalatio…     

含有Mo--Mo四重键的双钼络合物Mo_2(C_8H_8)_3的合成和晶体结构

Mo_2(C_8H_8)_3是由Mo(CO)_6和环辛四烯在正癸烷中回流而制得。它的晶体属单斜晶系,空间群为P2_1,单胞参数为:a=7.772(3),b=11.964(5),c=10.445(2),β=100.33(2)°,V=955(1)~3,根据Z=2和fw=504.31计算密度Dc=1.75g/cm~3。在Enraf-Nonius CAD4衍射仪上用MoKα射线收集了I>2σ(I)的独立衍射点2393个。晶体结构用直接法(MULTAN)程序解出,所有非氢原子的位置参数和各向异性热振动参数经全矩阵最小二乘法修正,最后的偏离因子R_1(F)=0.030,R_2(F)=0.035。分子中钼—钼的距离为2.293(1),形成了Mo-Mo四重键。Mo_2(C_8H_8)_3存在两种晶型;一是与W_2(C_8H_8)_3同晶;另一是与Cr_2(C_8H_8)_3同晶。     

Synthesis and Structure of a New Polymorph Ba_2CuSi_2O_7

1INTRODUCTIONTheuniqueelectronicpropertiesofcopperoxidesandoxyhalideshaveattractedmuchattentionduetotheirpotentialapplicationsassupercon-ductors,catalysts,luminescentmaterialsandp-typetransparentconductors[1].Inanefforttoexplorenewframeworkstructuresofmixed-metaloxyha-lidessuchasCuAgOCl,wehaveobtainedanewpolymorphofthebariumdicopperdisilicate,b-Ba2CuSi2O7.Inthispaper,wewillreportthesolid-statesynthesisandcrystalstructureofthisnewphaseanddiscussthedifferencesbetweenthestructuresofb-Ba2C…