一维梯状配合物{[Cu2(4,4''-bpy)3(p-Ab)2(H2O)2]·(NO3)2·4H2O}n的晶体结构

合成了一维分子梯状配合物{[Cu2(4,4'-bpy)3(p-Ab)2(H2O)2]·(NO3) 2·4H2O}n(4,4'-bpy=4,4'-联吡啶,p-Ab-=对氨基苯甲酸根离子),该配合物晶体属单斜晶系,P2(1)/c空间群,晶胞参数:a=1.110 7(5) nm,b=1.550 4(3) nm,c=1.450 9(3) nm,β=104.81(3)°,V=2.415 5(12) nm3,Z=2.铜离子周围有3个氧原子和3个氮原子与之配位,其中2个氧原子由对氨基苯甲酸的螯合氧原子提供,另一个氧原子由配位水提供,3个氮原子分别由三个4,4'-联吡啶提供.这六个原子在铜离子周围形成一个畸变的八面体配位环境.配体对氨基苯甲酸只有一种配位形式--双齿螯合,第二配体4,4'-联吡啶的两个氮原子均参与配位,将配合物组装成一维分子梯结构.     

一维梯状配合物{[Cu2（4,4′-bpy）3（p-Ab）2（H2O）2]·（NO3）2·4H2O}n的晶体结构

合成了一维分子梯状配合物{[Cu2(4,4′-bpy)3(p-Ab)2(H2O)2].(NO3)2.4H2O}n(4,4′-bpy=4,4′-联吡啶,p-Ab-=对氨基苯甲酸根离子),该配合物晶体属单斜晶系,P2(1)/c空间群,晶胞参数:a=1.1107(5)nm,b=1.5504(3)nm,c=1.4509(3)nm,β=104.81(3)°,V=2.4155(12)nm3,Z=2.铜离子周围有3个氧原子和3个氮原子与之配位,其中2个氧原子由对氨基苯甲酸的螯合氧原子提供,另一个氧原子由配位水提供,3个氮原子分别由三个4,4′-联吡啶提供.这六个原子在铜离子周围形成一个畸变的八面体配位环境.配体对氨基苯甲酸只有一种配位形式——双齿螯合,第二配体4,4′-联吡啶的两个氮原子均参与配位,将配合物组装成一维分子梯结构.     

一个新颖的三维异核锑(Ⅲ)-镨(Ⅲ)配合物[Sb2-μ4-(EDTA)2Pr(H2O)5]NO3·4H2O的合成、晶体结构及热分解研究

合成了锑-镨与乙二胺四乙酸形成的新颖三维配合物[Sb2-μ4-(EDTA)2Pr(H2O)5]NO3·4H2O,用元素分析、红外光谱、热分析及X射线单晶衍射法等进行了组成和结构表征.结果表明该配合物属正交晶系,空间群Pnn2;晶胞参数:a=1.07031(2)nm,b=2.30805(4)nm,c=0.72343(2)nm,V=1.78711(7)nm3,Z=2,Dc=2.202g/cm3,F(000)=1164,μ=2.955mm-1,GOF=1.000,最终偏离因子R1=0.0203,wR2=0.0545[I>2σ(Ⅰ)].在标题化合物中,每个镨(Ⅲ)离子的配位数为9,与五个水分子中的五个氧原子和四个羧基氧原子配位,形成三帽三角棱柱空间配位多面体.锑(Ⅲ)与EDTA离子中的四个氧原子和两个氮原子配位,在赤道平面上有一孤对电子.同时讨论了配合物的热分解过程.     

配合物[Cu(C_8H_6ClO_3)_2(H_2O)_2]的合成与晶体结构(英文)

以硝酸铜和对氯苯氧乙酸为原料,合成了标题化合物[Cu(C8H6ClO3)2(H2O)2],并用元素分析仪、红外光谱仪、X射线单晶衍射仪表征了其组成和晶体结构.结果表明,所合成的晶体属三斜晶系,Pī空间群,a=0.511 46(6)nm,b=0.706 40(8)nm,c=1.326 410(15)nm,α=81.777 0(10)°,β=86.361(2)°,γ=76.397 0(10)°,F(000)=239,Z=1;最终偏离因子R=0.026 4,wR=0.067 4.在配合物中,铜离子与来自两个对氯苯氧乙酸根的两个羧基氧原子、两个醚氧原子以及来自两个水分子的氧原子配位,形成变形八面体结构.     

由异烟酰腙构建的多孔状Zn(Ⅱ) 配位聚合物{[Zn(L)_2(H_2O)_2]·4H_2O}_n的合成及其晶体结构

以邻甲酰基苯磺酸钠和异烟肼为原料在乙醇/水溶液中制备了一种酰腙类Schiff碱配体(NaL),采用常规溶液挥发法合成了由该配体构筑的Zn((Ⅱ)配位聚合物{[Zn(L)2(H2O)2]·4H2O}n。利用元素分析、IR、TGA和X-射线单晶衍射分析对配合物进行了表征。配合物晶体属三斜晶系,P1空间群,晶胞参数a=0.786 98(4)nm,b=0.869 26(5)nm,c=1.180 44(7)nm,α=103.353(5)°,β=100.965(4)°,γ=93.123(4)°,Z=1,V=0.767 24(7)nm3,Dc=1.697 g·cm-3。每个Zn(Ⅱ)离子被2个配体L-阴离子双重桥联形成二核环状结构单元,并通过共用锌离子形成一维链配位聚合物,链与链之间通过氢键扩展为具有一维开放孔道的三维超分子网络结构。     

利用氧化加成反应合成[Cu(C_6H_5COO)_2(C_5H_5N)_2(H_2O)]

室温下 ,金属铜粉和过氧化苯甲酰进行氧化加成反应合成了铜化合物 [Cu(C6H5COO) 2 (C5H5N) 2 (H2 O) ](1 )。通过元素分析、电导、红外光谱等方法对配合物进行了表征 ,并经X 射线单晶结构分析确定了配合物的结构 ,晶体属单斜晶系 ,空间群Cc ,a =0 .60 78(4) ,b =1 .5879(4) ,c =2 .30 91 (3)nm ,β =97.61 (2 )°,Z =4,V =2 .2 0 91nm3,R =0 .0 30 7,中心铜原子由单齿配位的苯甲酸根的氧原子和吡啶的氮原子及来自水分子的氧原子形成四方锥配位结构。     

手性配合物Ni(C_6H_7NO_4S)(H_2O)_3的合成与结构

合成了一个单核镍配合物Ni(C6H7NO4S)(H2O)3,并用IR和X射线单晶衍射进行结构表征.结果表明该化合物属于正交晶系,P212121空间群,晶胞参数:a=0.585 4(4)nm,b=1.252 8(8)nm,c=1.430 7(9)nm,Z=4,Dc=1.912g/cm3,μ=1.169mm-1,F(000)=624,R=0.039 4,ωR2=0.108 3.该化合物中镍原子与配体中的一个氮原子和两个氧原子螯合,并与三个水分子中氧原子配位,形成扭曲的八面体构型.     

[Gd(Gly)_3(H_2O)_2]Cl_3·H_2O的合成与晶体结构

标题配合物在水溶液中合成 ,缓慢挥发水溶液 ( p H=4～ 5)得到其针状单晶 .研究了配合物的热分析与红外光谱 ,测定了配合物的晶体结构 .结果表明 ,晶体属正交晶系 ,空间群 P2 12 12 1,晶胞参数为 :a=1 .1 960 ( 2 ) nm,b=3 .0 789( 6) nm,c=0 .4 7652 ( 1 0 ) nm.V=1 .7547( 1 6) nm3 ,Z=4 ,Dc=1 .987g/cm3 .晶体是一维链状配合物 .相邻 Gd3 离子通过 2个简单羧基桥和 1个μ2 羧基桥联结起来 ,还有 2个水分子配位于每个 Gd3 离子 ,所以 Gd3 的配位数为 9,形成变形的单帽四方反棱柱体 .该配位多面体是摩尔比为 1∶ 3的稀土甘氨酸配合物中报道的第 1个例子 .得到了该配合物的配位键的键焓     

氨三乙酸桥连的3d-4f金属异核配合物:{[GdCu(NTA)(H_2O)_6Cl]ClO_4·H_2O}_n的合成和晶体结构

合成了金属异核配合物{[GdCu (NTA ) (H2 O ) 6 Cl]ClO4·H2 O}n,通过单晶衍射测定其结构。配合物的晶体属三斜晶系 ,空间群P 1 ,a =0 84 830 ( 1 0 )nm ,b =0 9642 ( 2 )nm ,c =1 2 838( 2 )nm ,α =1 1 1 1 70( 1 0 )° ,β =93 52 0 ( 1 0 )°,γ =1 0 0 890 ( 1 0 )°,V =0 9530 ( 3)nm3,Z =2 ,Dc=2 335g·cm- 3。配合物的晶体呈现锯齿状一维链状结构。铜离子是五配位 ,配位多面体是一个扭曲四棱锥。每个NTA通过其氮原子和 3个羧基的 3个氧原子与铜离子螯合 ,形成 3个五元环 ,氯离子也与铜离子配位。ClO- 4作为平衡离子位于链间。     

N,N'-双(乙酰丙酮)-1,4-丁二胺Schiff碱Ag(Ⅰ)配合物的合成及其晶体结构

本文以1,4-丁二胺和乙酰丙酮进行缩合反应得到N,N'-双(乙酰丙酮)-1,4-丁二胺的Schiff碱配体L,然后将配体L与Ag NO_3进行配位反应,得到配合物[Ag_2(L)(NO_3)_2]n,并用元素分析,FT-IR和X-射线晶体衍射进行了表征。结果表明,配合物属于单斜晶系,空间群为P21/c,晶体参数:a=0.73776(3)nm,b=1.52774(7)nm,c=0.96552(3)nm,β=106.6370(10),V=1.04269(7)nm~3,Z=2,D_c=1.886 g·cm-3,R_1=0.0443,wR_2=0.1305.在配合物中,每个Ag(Ⅰ)离子的配位模式均为扭曲四面体,分别与相邻配体的烯醇式氧原子,γ-C原子,两个硝酸根的氧原子配位,配体均表现为四齿配体,分别用两端β-酮亚胺单元的烯醇式氧原子,γ-C原子和四个Ag(Ⅰ)离子配位形成一维链,一维链通过硝酸根和Ag(Ⅰ)离子配位扩展形成三维网状结构。     

一维链状铽配位聚合物{[Tb(p-MBA)2(H2O)2]2·(4，4′-bipy)2}n的合成、晶体结构及荧光分析

A novel one-dimensional chain coordination polymer of terbium(Ⅲ) with p-methylbenzoic acid, 2,2′-bi-pyridine and 4,4′-bipyridine has been synthesized and characterized. The crystal data of this complex C₃₉H₃₇N₃O₈Tb are as follows: monoclinic system, space group P2₁/n, a=0.974 01(10) nm, b=2.605 8(3) nm, c=1.457 77(14) nm, β=96.108(2)°, V=3.678 9(6) nm³, D_c=1.507 g·cm^-3, M_r=834.64, Z=4, μ(Mo Kα)=1.978 mm^-1, F(000)=1 684, R₁=0.032 4, wR₂=0.063 4. The crystal structure of the complex shows that the terbium(Ⅲ) ion is coordinated with eight oxygen atoms, six from five p-methylbenzoic acid molecules and two from two water molecules, respectively, forming the distorted tetraprism geometry. The luminescent property of the complex is also studied. CCDC: 619216.     

Synthesis and Crystal Structure of a New Chain Coordination Polymer [Cu（inio）2（H2O）]∞ （Inio = Isonicotinic Acid N-Oxide）

1 INTRODUCTION With deep studies on the complex biology system and syntheses of new functional complexes, people have paid more and more attention to the polynuclear complexes. In the construction of one to three dimensional frameworks, multi-dentate ligands are usually used to bridge the metal centers to form polymeric structures[1, 2]. The isonicotinic acid N-oxide can function as a good mono-dentate ligand[3～8] through one oxygen atom from the group of -NO or carboxyl, and the dep…     

Synthesis and Structure of [Cu（OH）2（H2O）2（4—C5H4N—COOH）2]

1 INTRODUCTION Supramolecular chemistry and crystal engineering of coordination compounds have attracted considerable interests nowadays owing to the fascinating structural diversity and potential applications as functional materials[1,2]. Generally, architectures of supramolecules are formed through hydrogen bonds, ?- ?stacking interaction or other weak interactions between the molecules. Recently, many supramolecular compounds containing silver(I) and copper(II) species have been re-…     

[Cu(PTA)(Phen)2](p-MBA)(H6O)配合物的合成、晶体结构及电化学分析

The crystal structure of the title complex with the stoichiometric formula [Cu(PTA)(Phen)₂](p-MBA)(H₆O) (Phen=1,10-phenanthroline, PTA=terephthalic acid, p-MBA=p-toluic acid) has been determined by single-crystal X-ray diffraction. The crystal (C₄₈H₄₀CuN₄O₁₀, M_r=896.38) belongs to the monoclinic space group C2/c, with the following crystallographic parameters: a=1.778 6(3) nm, b=1.912 5(3) nm, c=1.389 9(2) nm, β=114.686(2)°, V=4.295 7(12) nm³, D_c=1.386 g·cm^-3, Z=4, μ(Mo Kα)=0.574 mm^-1, F(000)=1 860, final GooF=1.019, R=0.054 0, wR=0.148 3 for 2 644 observed reflections (I>2σ(I)). The crystal structure shows that the copper(Ⅱ) ion is coordinated with two oxygen atoms from one terephthalic acid molecule and four nitrogen atoms from two 1,10-phenanthroline molecules, forming a distorted octahedral coordination geometry. The cyclic voltametric behavior of the complex is also reported. CCDC: 298809.     

Synthesis and Crystal Structure of a Cyano-bridged Bimetallic Complex:[NdFe(CN)_6(DMF)_4(H_2O)_3]H_2O

1 INTRODUCTION In recent years, cyano-bridged heterometallic coordination compounds have inspired remarkable attention due to their rich and interesting structures and magnetic behaviors. However, these studies were mainly focused on the transition metals. Although several unusual cyanide bridging lanthanide-transition metal complexes have been re- ported[1～6], this field continuously possesses tre- mendous researching potentialities. As regardsPrussian Blue lanthanide complex, divers…     

稀土配合物{La［o-C6H4(NO2)(CO2)］3·(DMF)2}2的晶体结构及其荧光性能

合成了一种新的双核倒反中心的稀土镧配合物{La［o-C6H4(NO2)(CO2)］3·(DMF)2}2. 通过元素分析、 核磁共振谱和红外光谱对配合物的组成和结构进行了表征,  用热重分析研究了该配合物的热稳定性,  用X射线单晶衍射法测定了其晶体结构. 镧配合物{La［o-C6H4(NO2)(CO2)］3·(DMF)2}2晶体属三斜晶系, 空间群P1,  晶胞参数a=1.902(2) nm, b=1.245 0(2) nm, c=1.298 7(2) nm, α=64.555(2)°, β=66.348(2)°, γ=71.920(2)°, V=1.569 5(5) nm3, Dc=1.658 Mg/m3, Z=2, μ=1.437 mm-1, F(000)=784. 配合物中有2个La(Ⅲ)被4个邻硝基苯甲酸的羧酸根的负氧离子桥联, 每个La(Ⅲ)的中心离子配位数为9,  配位原子分别来自于7个邻硝基苯甲酸的羧酸根的负氧离子和2个DMF的羰基氧原子. 化合物中的氢键和π…π堆积作用使其成为三维立体结构. 同时发现了标题化合物固体具有光致发光现象, 发光性能测试表明， 配合物具有很好的荧光性质.     

三维稀土配位聚合物[Ce2(H2btc)(btc)(H2O)2]n的水热合成与晶体结构

含有稀土元素的无机一有机配位聚合物因在光、电、磁及催化等方面具有潜在的应用价值而引起人们的关注．芳香多羧基有机配体在合成配位聚合物和多维超分子研究领域中扮演着重要角色．1，2，4，5-均苯四甲酸(H4btc)由于具有独特的配位能力(btc^4-最多可作为八齿配体)和空间特性，     

一维链状锰配位聚合物的合成、晶体结构与性能研究

本文合成了1个新的一维链状锰的配位聚合物{[Mn(HL)(phen)(H2O)2].1.5H2O}n,(H3L=2-羟基-5-羧基苯磺酸),并且进行了元素分析、红外、热重、荧光、紫外、粉末XRD及单晶X射线衍射等表征及研究。标题化合物属于单斜晶系,C2/c空间群,a=0.840 57(17)nm,b=1.757 5(4)nm,c=2.873 4(6)nm,β=92.54(3)°,V=4.240 7(16)nm 3,Z=4,R=0.027 0。每个Mn(Ⅱ)离子与邻菲咯啉配体的2个N原子、磺酸配体中的1个磺酸基O原子和羧基O原子以及2个配位水分子配位,展示出扭曲的八面体几何构型。2个相邻的Mn(Ⅱ)八面体单元通过1个磺酸基氧原子和1个羧基氧原子连接形成一维链状结构,该一维链进一步通过氢键作用构筑成三维网状结构。     

Solvothermal Synthesis and Structure Characterization of a 3D Hydrogen-bonded Copper Compound [Cu(H_2dhpmc)_2]·2H_2O

1 INTRODUCTION The controlled assembly of inorganic and coordination polymers from simple building blocks is an important challenge in the design of high- dimensionality systems. In the crystal engineering 'toolbox'[1], hydrogen bonding moieties are perhaps the implements used the most in the design of such supramolecular systems[2], and have been particularly strongly applied towards the synthesis of molecular magnetic materials[3~6]. Copper complexes play an important role in catalyzin…     

Synthesis and Crystal Structure of[Ni(C5H2N2O4)(2, 2'-bipy)(H2O)2]·2H2O

The crystal structure of [Ni(C5H2N2O4)(2, 2?-bipy)(H2O)2]·2H2O 1 has been determined by X-ray diffraction. Crystal data: triclinic system, space group P ī with a = 7.9424(3), b = 9.9417(3), c = 12.1867(3) (A。）, α = 84.771(1), β = 77.375(2), γ = 68.993(2)°, C15H18N4O8Ni, Mr = 440.7, V = 876.16(5) (A。）3, Z = 2, Dc = 1.672 g/cm3, F(000) = 456, ((MoK() = 1.162 mm-1, the final R = 0.0464 and wR = 0.1055 for 3026 observed reflections with I > 2((I). In the title compound, the nickel ion is coordinated by a nitrogen atom and an oxygen atom from the orotate ligand, two nitrogen atoms from 2, 2'-bipy and two oxygen atoms from the coordinated water molecules in a distorted octahedral geometry. The presence of intermolecular hydrogen bonding and (-( stacking interaction of aromatic rings from 2, 2'-bipy results in a 3D structure.