Synthesis and Crystal Structure of a Dinuclear Complex:Bis[aqua(phen)(4-aba)copper(Ⅱ)nitrate(4-abaH)dihydrate]

The title complex has been obtained by the reaction of copper nitrate trihydrate with 4-abaH （4-abaH = 4-aminobenzonic acid） and phenanthroline in ethanol solution, and its structure was determined by X-ray crystallography with the following data： monoclinic, space group C2/c, M, = 1266.13, Cu2C52H54N10O20, a = 25.884（5）, b = 10.205（2）, c = 20.849（4） A, β= 106.34（3）°, Z= 4, V= 5284.7（18） A^3, F（000） = 2616, Dc = 1.591 g/cm^3, μ = 0.896 mm ^-1, the final R = 0.0441 and wR = 0.1148 for 4200 observed reflections （Ⅰ 〉 2σ（Ⅰ））. In the molecule of the title complex, the asymmetric unit contains one half molecule, The Cu（Ⅱ） atom is five-coordinated by a tenninal water molecule, a bidentate phcnanthroline and two monodentate 4-ammobenzoate ligands forming a square pyramidal coordination environment. The two bridging 4-aminobenzoate ligands result in a dinuclear copper（Ⅱ） cluster with a short Cu-Cu distance （3.048 A） and a π-π rstacking between the adjacent phenanthroline rings （2.96 A）.

Hydrothermal Synthesis,Crystal Structure and Electrochemical Properties of a New Dinuclear Copper Complex [C_2H_6ON]_2[Cu_2Cl_2(μ-CH_3COO)_4]

The hydrothermal reaction of copper chloride dihydrate and 5,5-dimethyl-imidazolidine,-2,4-dione with a mole ratio of 1：1 in acetonitrile resulted in the formation of a new acetate-bridged dinuclear copper complex, [C2H6ON]2[Cu2Cl2（μ-CH3COO）4]. Protonated acetamide in eaolie form and acetic acid were yielded by the hydrolysis of acetonitrile under hydrothennal condition. The rifle complex （C12H24Cl2Cu2N2O10） was characterized by X-ray single-crystal diffraction, IR spectrum, elemental and electrochemical analysis. It crystallizes in the monoclinic system, space group P21/c with a = 8.298004）, b = 14.358（2）, c = 12.0010（2） A^°, β= 130.620（3）°, V = 1085.3（2） A^°^3, Dc = 1.696 g/cm^3, 34, = 554.31, Z = 2, F（000） = 564 and μ = 2.254 mm^-1. The crystal structure consists of a tetraacetate-bridging dinulcear copper complex anion [Cu2Cl2（μ-CH3COO）4]^2-, with the chlorine anions in the axial positions, and two protonated acetamide cations [C2H6ON]^＋, which were connected through hydrogen bonds to form a three-dimensional infinite network.

Synthesis and Crystal Structure of a Novel Dinuclear Copper(Ⅱ) Complex Containing Benzimidazole Schiff Base Ligand

A novel dinuclear copper（Ⅱ） complex [CuL（NO3）]2·2MeOH was obtained by the coordination reaction of Cu（NO3）2·3H2O with ligand HL （HL=N-（methyl-2-benzimidazol- methylidene）-2-hydroxyaniline）. The single-crystal X-ray analysis has revealed that the complex crystallizes in triclinic, space group P with a=9.535（3）, b=10.009（3）, c=10.666（4） , α=104.303（4）, β=100.105（4）, γ=115.917（4）o, V=839.0（5） 3, C16H16CuN4O5, Mr=407.87, Z=2, Dc=1.614 g/cm3, F（000）=418, μ=1.338 mm-1, R=0.0543 and wR=0.0980. The basic dinuclear copper（Ⅱ） complex units [CuL（NO3）]2 are formed by NO3- as co-bridging ligands and L as NNO tridentate chelate coordinating to the copper ions. The ladder-like one-dimensional chain motifs are formed by O…H-O and O…H-N hydrogen bonds from methanol molecules connecting the dinuclear copper（Ⅱ） units.

Crystal Structures of Dinuclear Copper(Ⅱ) Complexesof bis (1,4,7-triazacyclononane) Ligands Containing Rigid Bridging Groups

Dinuclear Cu(Ⅱ) complexes (Cu,LCl4). 2H2O and Cu2L'Cl4 are pre-pared and characterized by X-ray structure analysis. (Cu2I-Cl4). 2H2O, C20 H40N6Cu2Cl4O2, Mr=665. 54, monoclinic, 6 for 188l observed reflections with I>3(I). Cu2L'Cl4, C20H36N6Cu2Cl4, M.=629. 41, monoclinic, for 1330 observed reflections with I>3(I). In both complexes the stereo-chemistry about Cu(Ⅱ) is 5-coordinated with two secondary amine N atoms and twoCl- occupying sites at the base of a distorted square pyramid capped by the tertiaryamine N atom. The pair of Cl' attached to the two Cu(Ⅱ) are held in anti configuration.

Synthesis and Crystal Structure of Dinuclear Copper Cluster Compound ［Cu（dtp）PPh_3］_2

The title compound [Cu(dtp) PPh3]2 (dtp=S2,P(OEt)2) was prepared by heating the mononuclear compound Cu(dtp)(PPh3)2 in CH3CN solution.It crystallizes in the triclinic space group P1 with parameters a=9.71 6(5),b=11.026(5),c=12.475(4) A.α=78.16(3)°,β=102. 64(4), γ=114.34(4)°,V=1178(1)A 3,Z=1,Dc=1.44 g/cm3,MoKα(λ=0.71069 A) μ=12. 48cm-1,F(000)=528.Final R=0.041.Rω= 0. 052 for 3653 unique intensity data(I≥3σ(I)).The molecule of the title compound can be viewed as a centrosymmetric dimer with two[Cu(dtp)(PPh3)] units,which are bridged by two S atoms belonging to the dtp ligands.The exact planar[Cu2S2] core and two[CuS2P] four-membered rings form a chair conformation.The Cu…Cu distance is 2.991(5) A.

Synthesis and Structural Characterization of a Dinuclear Copper（Ⅱ） Complex with p-tert-Butylsulfonylcalix[4]arene

The X-ray crystallographic structure was reported for a dinuclear copper（Ⅱ） complex with a tetraanionic ligand of p-tert-butylsulfonylcalix[4]arene [Cu2L（CH3OH）6]·4CH3OH （H4L=p-tert-butylsuffonylcalix[4]arene）. The complex belongs to triclinic system, P1^-- space group, with a = 1.2303（3） nm, b = 1.2377（3） nm, c = 1.3110（3） nm, a =66.862（4）°, β= 67.206（4）°, γ=61.711（3）°, Z= 1, V= 1.5659（7） nm^3, Dc= 1.371 g/cm^3, F（000） = 682,μ（Mo Kα） = 0.883 mm^-1, R1 =0.0325, wR2=0.0870. In this complex, the calix[4]arene acts as a bis-tridentate chelating ligand with the 1,2-alternate conformation.

新型双核铜配合物的结构及DNA切割活性

合成了一种以吡啶-2,6-二甲酸(dipicH2)桥联的新型双核邻菲咯啉铜配合物,[Cu2(phen)3(dipic)(OH)]·Na·ClO4·2H2O(phen为1,10-菲咯啉的缩写)。该配合物晶体属于单斜晶系,P21/n空间群,a=1.22585(2)nm,b=2.1963(3)nm,c=1.6195(2)nm,β=100.951(2)°。配合物分子中的两个中心铜离子均处于变形的四方锥配位环境,并通过吡啶-2,6-二甲酸配体上的氧氮原子相连。凝胶电泳结果表明,在pH7.4,温度37℃,以抗坏血酸为还原剂或在H2O2的存在下,该配合物对超螺旋pBR322DNA表现出显著的切割活性,为人工金属核酸酶的研究提供了新的例证。

双核铜配合物[Cu(pht)_2(ba)_2]_2的合成、晶体结构和抑菌活性

由过渡金属Cu(Ⅱ)、苯妥英(Hpht)与苄胺(ba)反应,得到一种新型双核铜配合物[Cu(pht)2(ba)2]2,通过元素分析、摩尔电导、红外光谱、X-射线单晶衍射等对配合物的结构进行了解析和表征。结果表明:该晶体属三斜晶系,空间群为P-1,晶胞参数:a=1.0554(15)nm,b=1.201(17)nm,c=1.489(2)nm,α=93.24(2)°,β=102.14(2)°,γ=91.79(2)°,V=1.840(5)nm3,F(000)=814,Z=1,Dc=1.408g·cm-3,μ=0.648mm-1,R1=0.0973,wR2=0.1929。配合物分子中每个Cu(II)离子以N4O1的五配位形式位于变形的三角双锥构型中。利用琼脂扩散法测试了该配合物的抑菌活性,结果表明对4种受试细菌均有一定的活性。

双核Cu(Ⅱ)-2,4-二羟基苯甲醛缩邻氨基苯甲酸Schiff碱配合物的合成、表征和晶体结构

The novel dinuclear copper(Ⅱ) complex with with N (2,4 dihydroxybenzalidene) o aminobenzoic acid ligand, [Cu(C14H9NO4)]2· 2H2O, has been synthesized and characterized by elemental analysis, IR, UV Vis and thermal analysis. Its crystal structure was determined by single crystal X ray diffraction techniques. The crystal belongs to monoclinic with space group P21/c. The cell parameters are: a=0.82510(11)nm, b=0.68870(9)nm, c=2.3007(3)nm, β =100.847(2)° , V=1.2840(3)nm3, Z=2, Dc=1.742Mg· m- 3, μ (MoKα )=1.723mm- 1, F(000)=684. The structure was refined to final R1=0.0267, wR2=0.0735. The complex molecule structure has dinuclear centrosymmetric dimeric structure in which a planar Cu2O2 core features. The ligand N (2,4 dihydroxybenzalidene) o aminobenzoic acid dianion is μ 2 tridentate, chelating one copper? ion via one nitrogen, one hydroxy oxygen atom and one carboxylate oxygen atom, and the hydroxy oxygen atom simultaneously coordinates to the other copper? ion of the dimer. In the structure the copper? ion rendered four coordination in a distorted square planar geometry structure. CCDC: 212695.

氮杂大环双核铜锌金属配合物的合成结构及溶液中配位稳定性研究

The macrocyclic ligand(L) and its dinuclear copper(Ⅱ) and zinc(Ⅱ) complexes have been synthesized. The crystal structure of [Cu 2L(Him) 2](ClO 4) 4·2H 2O has been determined by single crystal X ray diffraction. It crystallizes in a monoclinic system, the space group P2 1/c , a =0.951 2(2) nm, b =2.010 4(4) nm, c =1.202 5(2) nm, β =98.89(3)°, V =2.271 9(8) nm 3, Z=2, D c=1.599 Mg/m 3 , F (000) = 876 , R =0.059 1, wR =0.173 3, GOF(F)=1.009. The copper(Ⅱ) atom is five coordinated with four nitrogen atoms of the macrocyclic ligand and one nitrogen atom of imidazole. The stepwise stability constants of the 1∶1 and 2∶1 molar ratios of Cu to L and Zn to L complexes were determined by potentiometric titration in KCl supporting electrolyte(0.100 mol/L) at 25 ℃. The results indicated that zinc(Ⅱ) ion can form hydroxide bridged dinuclear complex [Zn 2(OH)L] 3+ , while the copper(Ⅱ) ion can only form dinuclear complex 3+ with macrocyclic ligand.

丁二酮肟双核铜配合物的合成、结构和性能表征(英文)

The structure of [Cu2(Hdmg)4] (Hdmg=dimethylglyoxime anion) has been determined by X ray crystallography. It is monoclinic, space group P21/n, with Z=2. The lattice parameters: a=0.71601(14)nm; b=1.7044(3)nm; c=1.0126(4)nm; β =113.89(2)° ; Mr=587.52 (C16H28Cu2N8O8); V=1.1299(5)nm3. The copper atom lies in a distorted square pyramidal environment. The four equatorial donors are four nitrogen atoms from bidentate chelate dimethylglyoxime anion ligands. The oxygen atom from the dimethylglyoxime ligand acts as a bridging atom occupying the apical position of the symmetry related copper atom in the dimer structure. The two dimethylglyoximes bridge two copper atoms to form a six member Cu2O2N2 ring, respectively. The thermal gravity (TG) data indicate that the compound [Cu2(Hdmg)4] undergoes two exothermic reactions with loss of the organic ligand to give residue CuO. CCDC: 208729.

芳酰腙铜(Ⅱ)和锌(Ⅱ)配合物的合成、晶体结构及抗菌活性（英文）

合成了一对结构类似的双核铜和锌配合物,Cu_2(L^1)_2(1)和[Zn_2(L^2)_2(CH_3OH)_2](2),其中L^1和L^2分别是2-溴-N′-(2-羟基-5-甲基苯亚甲基)苯甲酰肼(H_2L^1)和2-氯-N′-(2-羟基-5-甲基苯亚甲基)苯甲酰肼(H_2L^2)的二价阴离子,通过元素分析、红外光谱以及单晶X射线衍射表征了它们的结构。配合物1以三斜晶系P1空间群结晶,其晶体学参数:a=0.914 11(6)nm,b=1.180 04(7)nm,c=1.359 36(9)nm,α=101.928(2)°,β=91.399(2)°,γ=107.873(2)°,V=1.359 3(2)nm3,Z=2,R_1=0.054 0,wR_2=0.118 9,GOF=0.970。配合物2以单斜晶系P21/c空间群结晶,其晶体学参数:a=1.216 97(9)nm,b=1.214 96(9)nm,c=1.212 83(9)nm,β=110.939(1)°,V=1.674 8(2)nm^3,Z=2,R1=0.034 1,wR_2=0.068 9,GOF=1.024。X射线分析表明2个化合物都是中心对称的双核配合物,其中配合物1中的Cu原子是平面正方形配位构型,配合物2中的Zn原子是四方锥配位构型。还通过MTT法研究了这两个配合物的抗细菌(大肠杆菌,金黄色葡萄球菌,枯草芽孢杆菌和铜绿色假单胞菌)和抗真菌(白假丝酵母菌和黑曲霉菌)活性。

不对称大环双核铜(Ⅱ)配合物[Cu_2(C_(23)H_(26)Cl_2N_4O_2)](ClO_4)_2的合成、晶体结构及磁性(英文)

大环双核铜(Ⅱ)配合物由N,N′-二甲基-N,N′-二(3-甲酰基-5-氯水杨醛)乙二胺和1,3-丙二胺,与铜(Ⅱ)反应形成的,经过X-射线单晶衍射结果表明:a=0.87105(16)nm,b=0.95778(18)nm,c=1.8104(3)nm,β=100.761(18)°,V=1.4838(5)nm3,Z=2,Dc=1.762Mg.m-3,μ=1.85 mm-1,F(000)=796,and final R1=0.061,wR2=0.126。晶体结构表明:两个铜离子位于双核大环中间,与大环的胺、亚胺以及酚羟基的氧进行配位。磁性结果表明配合物为反铁磁性。

以甲氧基苯甲酸为配体的两个双核铜配合物的合成、晶体结构和理论计算（英文）

以2-甲氧基苯甲酸(HL1)、2,3-二甲氧基苯甲酸(HL2)及甲醇为配体,合成了配合物Cu2(L1)4(CH3OH)2(1)和Cu2(L2)4(CH3OH)2(2),并通过红外、元素分析、X-射线粉末和单晶衍射等研究手段表征了其结构。配合物1属单斜晶系,空间群P21/n;配合物2属三斜晶系,空间群P1。2个配合物都具有双核铜结构,由2个铜离子、4个L配体分子和2个甲醇配体分子组成,其中配体L通过双齿配位模式与铜离子配合。研究了2个配合物的热稳定性,并通过Gaussian 09软件密度泛函理论B3LYP方法进行了理论研究。

双核铜(Ⅱ)配合物在H_2O_2存在下对DNA的氧化切割活性(英文)

A novel dinuclear copper(Ⅱ) complex, [Cu2(phen)(dipic)2(H2O)2]·2H2O (phen=1,10-phenanthroline, dipicH2=2,6-pyridinedicarboxylic acid), has been prepared and structurally characterized. The complex crystallizes in the triclinic system, space group P1 with cell parameters a=0.846 0(17) nm, b=1.289 5(3) nm, c=1.452 7(3) nm, α=77.42(3)°, β=79.11(3)°, γ=87.08(3)°, and V=1.518 8(6) nm3. The dinuclear complex shows potential DNA cleavage activity at micromolar concentration in the presence of H2O2 and exhibits higher nuclease efficiency than mononuclear complex [Cu(dipic)(H2dipic)]·H2O. Without external reductants, the added H2O2 may contribute to the generation of hydroxyl radicals that result in DNA strand scission.CCDC:291786.

双核铜(Ⅱ)配合物{[Cu(Phen)(Nap)2]2·(EtOH)2·(H2O)2}(Phen=1，10-菲咯啉，Nap=1-萘甲酸，EtOH=--乙醇)的合成、晶体结构及性质

合成了一种新型的配合物{[Cu（Phen）（Nap）2]2·（EtOH）2·（H2O）2}（Phen=1，10-菲咯啉，Nap=1-萘甲酸，EtOH=乙醇）。通过元素分析、红外光谱、热重等测试技术对其进行了表征，同时用X射线单晶衍射确定了其晶体结构，其配合物为双核铜结构。利用循环伏安法和发射光谱研究了该配合物的电化学和发光性能；采用紫外光谱和荧光光谱法研究了配合物与小牛胸腺DNA（ct-DNA）的相互作用。结果表明，配合物为不可逆氧化还原过程，其荧光发射光谱为416nm，与小牛胸腺DNA（ct—DNA）以沟面结合方式相互作用，配合物结合常数Kbl=4．68×10^3L／mol。

3-甲基-4-对甲基苯基-5-(2-吡啶基)-1,2,4-三唑双核铜(Ⅱ)配合物的合成、晶体结构及磁性(英文)

A dinuclear Cu(Ⅱ) complex [Cu2(MMBPT)2Cl4(H2O)2.5] (I) [MMBPT=3-Methyl-4-(4-Methylphenyl)-5-(2-pyridyl)-1,2,4-triazole] was synthesized by reaction of MMBPT with CuCl2.2H2O and its structure was determined by X-ray crystal structure analysis. The structure indicates that the complex crystallizes in monoclinic,space group P21/c with a=1.273 4(3) nm,b=1.237 5(3) nm,c=2.403 2(5) nm,β=90.51(3)°. V=3.786 6(13) nm3,Z=2,Dc=1.429 Mg.m-3,μ=1.445 mm-1,F(000)=1 660,and final R1=0.055 5,wR2=0.129 7. The crystal structure shows that the dinuclear Cu2N6 unit is almost planar in which each Cu(Ⅱ)ion was five-coordinated by one nitrogen atoms from MMBPT and two chlorine in the basal positions and two nitrogen atoms from two MMBPTs respectively in the axial one,to form a distorted trigonal bipyramidal geometry. Magnetic measurements reveal a relatively strong antiferromagentic interaction in the complex. CCDC:720011.

二核双席夫碱铜(Ⅱ)配合物的合成、晶体结构及抗菌活性研究(英文)

合成了一对结构类似的双核铜配合物,[CuL1]2(1)和[CuL2]2(2),其中L1是双席夫碱配体N,N′-二(5-氟水杨基)-1,3-丙二胺(H2L1)的二价阴离子,L2是N,N′-二(5-氟水杨基)-1,2-乙二胺(H2L2)的二价阴离子,通过元素分析、红外光谱以及单晶X-射线衍射表征了它们的结构。配合物1以单斜晶系P21/c空间群结晶,其晶体学参数a=1.348 8(1)nm,b=0.681 4(1)nm,c=1.708 7(1)nm,β=108.903(3)°,V=1.485 7(2)nm3,Z=4,R1=0.048 0,wR2=0.114 1,Goof=1.115。配合物2以单斜晶系C2/c空间群结晶,其晶体学参数a=2.756 8(2)nm,b=0.703 6(1)nm,c=1.454 7(1)nm,β=94.758(2)°,V=2.811 8(5)nm3,Z=4,R1=0.047 2,wR2=0.113 9,Goof=1.094。X-射线分析表明2个化合物都是中心对称的双核配合物,其中Cu原子都是四方椎配位构型。通过MTT法研究了这2个配合物的抗细菌(枯草芽孢杆菌,金黄色葡萄球菌,大肠杆菌和荧光假单胞菌)和抗真菌(白假丝酵母菌和黑曲霉菌)活性。

大环氰基桥联双核铜配合物的合成与晶体结构

目的合成一种新型大环核铜配合物——— [Cu2 (CN)L](ClO4) 3 ·4H2 O·2CH3 CN作为Cu、Zn超氧化物歧化酶的模型化合物。方法采用IR、UV Vis、MS及X 射线单晶结构衍射对配合物进行结构表征。结果与结论X 射线单晶结构分析表明 ,该配合物属三斜晶系 ,P1空间群 ,a =1.314 8(3)nm ,b =1.394 6 (3)nm ,c=1.5 70 6 (3)nm ,β =6 6 .6 8(3)°,V =2 .6 181(10 )nm3 ,Z =2 ,Dc=1.5 2 8g/cm3 ,F(0 0 0 ) =12 5 6 ,S =0 .774。配合物中Cu…Cu之间的距离为 0 .5 16 3nm。

基于芳环堆积和氢键作用的新型双核铜配合物的超分子组装:[Cu_2(phen)_2(OH)Cl(C_4H_4O_4)]·8H_2O的合成和晶体结构(phen=1,10-phenanthroline)

在水和甲醇的混合溶剂中，经邻菲绕啉、丁二酸钠和ＣｕＯｌ２·２Ｈ２Ｏ反应合成得到标题配合物，［Ｃｕ２（ｐｈｅｎ）２（ＯＨ）Ｃｌ（Ｃ４Ｈ４Ｏ４）］·８Ｈ２Ｏ．单晶 Ｘ－射线衍射分析表明，晶体属单斜晶系， Ｐ２１（ Ｎｏ． ４）空间群，晶胞参数：α＝０．７７０８（１）ｎｍ，ｂ＝１．７８６１（３）ｎｍ， ｃ＝１．２４８９（２）ｎｍ，β＝９６８９（１）°，Ｖ＝ １．７０７０（５） ｎｍ３，Ｄｃ＝１．５５７ ｇ／ｃｍ２，Ｚ＝２，Ｆ（０００）＝８２４，４２８２个独立衍射点中，３３４８个可观测点满足Ｆ２０≥２σ（Ｆ２０），Ｒ＝０．０６２，ωＲ２＝０．１６３４．［Ｃｕ２（ｐｈｅｎ）２（ＯＨ）Ｃｌ（Ｃ４Ｈ４Ｏ４）］·８Ｈ２Ｏ配合物由双核铜［Ｃｕ２（ｐｈｅｎ）２（ＯＨ）Ｃｌ（Ｃ４Ｈ４Ｏ４）］络分子和晶格Ｈ２Ｏ分子组成．每个Ｃｕ原子与邻菲绕啉上的２个Ｎ原子、丁二酸根上的１个羧基Ｏ原子、１个桥联Ｃｌ原子及桥联氢氧根上的Ｏ原子配位形成高度畸变的三角双锥．通过Ｃｌ原子、氢氧根及丁二酸根一端羧基的桥联作用，相邻三角双锥形成“蝎子”形的双核［Ｃｕ２（ｐｈｅｎ）２（ＯＨ）Ｃｌ（Ｃ４Ｈ４Ｏ４）］络分子．分子间的芳环堆积作用致使双核络分子排列形成平行于晶?