有机-无机复合物[Cu（en）（H_2O）（2,2-′bipy）]_2H_3[BW_（12）O_（40）]·2.5H_2O的水热合成、结构及性质

利用水热合成方法制备了组成为[Cu（en）（H2O）（2,2′-bipy）]2H3BW12O4.02.5H2O的多金属氧簇有机-无机复合物,并用元素分析、IR和UV光谱、XPS、TG、荧光光谱、X射线单晶衍射对化合物进行了表征和性质研究.该化合物属于单斜晶系,P2（1）/c空间群,a=1.951 1（2）nm,b=1.229 76（12）nm,c=2.505 9（3）nm,β=91.266（2）°,V=6.011 1（11）nm3,Z=4.化合物阴离子[BW12O40]5-与配位阳离子[Cu（en）（H2O）（2,2′-bipy）]＋通过静电作用相结合.XPS表明化合物中Cu、W氧化态分别为＋1和＋6价.     

SYNTHESIS AND CRYSTAL STRUCTURE OF A MOLYBDENUM-COPPER-SULFUR CLUSTER COMPLEX WITH DITHIOBENZOATE LIGAND [Bu_4N]_2[MoCu_2S_4(C_6H_5CS_2)_2]

<正> The title compound has been synthesized by the reaction of (Bu4N)2MoS4, CuCl and (C6H5CS2)(Bu4N) in DMF and recrystallized from DMF/ Et2O. The red black crystal belongs to the triclinic space group P1 with a = 12. 021 (6), b = 17.045(8), c=17. 136(7)(?) , α=110.05(3), β=108.64(4), γ=103.87 (4)°, V = 2873(3)(?)3, Dc=1. 321gcm-3, Z = 2. The structure was refined to R = 0. 065 for .4783 reflections. The anion of the title compound can be described as a MoS42- tetrahedron coordinated by two [Cu(C6H5CS2)] units with the three metal atoms lying on a line. The coordination number of each Cu atom is three.     

配合物[Cu2(C4H2O6)(Phen)2(H2O)]·8H2O的合成、晶体结构和抗菌活性

在pH≈10的乙醇-水溶液中以硫酸铜、酒石酸和邻菲咯啉反应合成了分子式为[Cu₂(C₄H₂O₆)(Phen)₂(H₂O)]·8H₂O的配合物单晶。用X-射线单晶衍射测定了晶体结构，并研究了配合物对大肠杆菌、金黄色葡萄球菌、枯草杆菌的抗菌活性。晶体属单斜晶系，空间群P2₁。标题化合物为双核铜配合物，2个铜原子配位数不同。Cu(1)是五配位的，具有扭曲的四方锥结构，5个配位原子分别是酒石酸的去质子的羟基氧和羧基氧、邻菲咯啉的2个氮原子及1个水分子的氧原子。Cu(2)为四配位的，配位原子分别是酒石酸的去质子的羟基氧和羧基氧和邻菲咯啉的2个氮原子。分子中Cu(1)…Cu(2)间的距离为0.354 8 nm。存在分子内邻菲咯啉-邻菲咯啉的面—面π-π相互作用，面间距为0.381 3 nm。配合物对大肠杆菌、金黄色葡萄球菌、枯草杆菌具有较强的抗菌活性。     

Synthesis and Structure of anti-Configuration Complex [Cu(tssb)_2]·2[(H_3O)Cl]·4H_2O

1 INTRODUCTION The complexes of amino acid Schiff base have attracted considerable attention because of their bio- activities[1, 2]. Taurine is a special amino acid in be- ings, and recently the complexes of taurine conden- sation salicylaldehyde Schiff …     

Synthesis and Structure of anti-Configuration Complex [Cu(tssb)2]·2[(H3O)Cl]·4H2O

The title complex [Cu(tssb)2]·2[(H3O)Cl]·4H2O (C18H34Cl2CuN2O14S2) (tssb = taurine salicylaldehyde Schiff base) has been synthesized by the reaction of taurine salicylaldehyde Schiff base (tssb) and copper acetate in water-ethanol. Its single-crystal structure was determined by X-ray diffraction method. The crystal structure belongs to triclinic, space group P with a = 0.7407(1), b = 1.3329(3), c = 1.5736(3)nm, α = 103.800(4), β = 95.030(4), γ = 104.416(4)°, Mr = 701.06, V = 1.4433(5) nm3, Z = 2, Dc = 1.613 g/cm3, μ = 1.153 mm-1 and F(000) = 726. The compound is an infinitely expanding three-dimensional network connected with hydrogen bonds. The Cu(Ⅱ) atom is coordinated by two nitrogen and two oxygen atoms to form a distorted planar coordination compound which adopts anti-configuration because two sulfonic acid groups are positioned diagonally on a plane.     

A Stable 'Three-in-one'Coordination Polymer

The title compound[Cu2(IB)2(HIB)2]1 was synthesized via the hydrothermal reaction of CuSO4·5H2O and NaOH with 4-(1H-Imidazol-1-yl)benzoic acid(HIB),and characte-rized by elemental analysis and infrared spectra.The crystal of 1 crystallizes in monoclinic,space group C2/c with a=24.513(8),b=18.948(5),c=17.248(6)(A),β=119.81(2)°,V=6951(4)(A)3,Z=8,C40H30Cu2N8O8,Mr=877.80,Dc=1.678 g/cm3,F(000)=3584 and μ(MoKa)=1.295 mm-1.The final R=0.0542 and wR=0.1335 for 5398 observed reflections with I>2σ(I)and R=0.0845 and wR=0.1520 for all data.X-ray diffraction analysis reveals that the title complex is a unique 'three-in-one'crystal of coordination network through strong hydrogen bonds and coordination covalent bonds.The thermogravimetric analysis measurement showed that compound 1 has thermal stability as no strictly clean weight loss step occurs below 300℃.     

混合价配位聚合物 - [Cu(en)2H2O]2&#8226;8H2O的水热合成与晶体结构

在水热条件下合成了一个新的混合价配位聚合物 [Cu(en)2H2O]2&#8226;8H2O, 并对其进行了元素分析, IR, UV, TG-DSC等表征. X射线单晶衍射结果表明, 化合物属于单斜晶系, P21/c空间群, 晶胞参数a＝1.88678(12) nm, b＝2.30383(14) nm, c＝2.61234(16) nm, α＝90°, β＝95.844(1)°, γ＝90°, V＝11.2964(12) nm3, Z＝4, Dc＝3.954 g/cm3, R1＝0.0975, wR2＝0.2041. 结构测定结果表明, 聚合物中杂多阴离子骨架通过氧桥相连并形成一维无限链. 热性质研究表明, 形成标题化合物后杂多阴离子骨架分解温度大约在600.4 ℃, 热稳定性较母体杂多酸明显增强.     

Synthesis and Crystal Structure of Bridging Complex [Cu_2(bipy)_2·OAc·Cl·OH]·TsTausH·3H_2O

1 INTRODUCTION The binuclear complexes have been widely studied in many fields, such as catalysis, semi- conductor and bioinorganic chemistry because of their rich physical and chemical properties[1～4]. The complexes with N-P-tolysulonyl--amino acids ha…     

二苯乙醇酸铜配合物的合成、晶体结构、电化学和荧光性质

以二苯乙醇酸为配体合成了1个新的化合物[Cu(2,2′-bipy)(BAA)][Cu(2,2′-bipy)(BAA)(H2O)]2.(H2O)3(BAA=二苯乙醇酸阴离子,2,2′-bipy=2,2′-联吡啶)。该化合物晶体属三斜晶系,空间群P1,晶胞参数:a=1.121 7(5)nm,b=1.360 2(6)nm,c=2.335 2(10)nm,α=99.260(6)°,β=101.223(8)°,γ=94.805(8)°,V=3.425(3)nm3,Dc=1.385 g.cm-3,Z=6,μ(Mo Kα)=0.992 mm-1,F(000)=1 474,最终偏离因子R1=0.0561,wR2=0.1128。在标题化合物的不对称单元中有3个单核铜(Ⅱ)配合物,且3个中心铜(Ⅱ)离子的配位数不完全相同,如Cu(1)离子的配位数是4,而Cu(2)和Cu(3)离子的配位数都是5。本文还测定了标题化合物的电化学性能和荧光性能,结果表明:在电化学过程中配合物的电子转移是准可逆的,电子转移数为2个;配合物在478 nm的光激发下可发射荧光。     

Hydrothermal Synthesis and Characterization of a Two-dimensional Layer Based on Keggin POM Cluster Units: [Cu2(DMPz)2PMo12O40]·HDMPz

The title compound, [Cu2(DMPz)2PMo12O40]·HDMPz (1, DMPz = 2,5-dimethyl pyrazine), has been synthesized and characterized by single-crystal X-ray diffraction analysis. It crystallizes in triclinic, space group P1 with a = 11.075(2), b = 11.551(2), c = 11.886(2) A, α = 106.352(2), β = 109.862(3), γ = 109.504(1)°, V = 1206.8(3) A3, C18H26Cu2Mo12N6O40P, Mr = 2275.78, Z = 1, Dc = 3.131 g/cm3,μ = 4.011 mm-1, F(000) = 1073, S = 1.066, the final R = 0.0389 and wR = 0.1056 for 3739 observed reflections with I > 2σ(I). The structural analysis indicates that the title compound is composed of Keggin clusters [PMo12O40]3- connected by one-dimensional [Cu(DMPz)]2n2n+ chains to form a two-dimensional grid layer with holes occupied by mono-protonated DMPz molecules. In the solid of the title compound, the 2D grid layers are stacked together in an ABAB packing mode.     

Hydrothermal Synthesis,Crystal Structure and Magnetic Behavior of a Novel 3D Supramolecular Complex [Cu（HDPPZC）（SO4）（H2 O）]2

In the title coordination compound,[Cu(HDPPZC)(SO4)(H2O)]2 (1,HDPPZC=dipyrido[3,2-a:2,3-c]-phenazine-2-carboxylic acid),has been hydrothermally synthesized and characterized by single-crystal X-ray diffraction,elemental analysis and magnetic susceptibility measurement.It crystallizes in triclinic,space group P1 with a=0.69485(6),b=0.76878(4),c=1.76638(13)nm,α=99.437(6),β=94.690(6),γ=95.735(6)o,V=0.92151(12) nm 3,Z=1,Cu2C38 H24 N 8S2O14,Mr=1007.85,Dc= 1.816 g·cm-3,F(000)=510,GOOF=0.988,the final R=0.0580 and wR=0.0689.The structural analyses reveal that complex 1 shows discrete dinuclear clusters,which are further linked by hydrogen bonding and π·π stacking interactions to form a three-dimensional supramolecular compound.Magnetic measurement shows ferromagnetic and antiferromagnetic exchange interactions in the sample.     

Synthesis and Crystal Structure of {Cu2(pdc)2(4,4′-bipy)(H2O)·(3H2O}2

The title compound {Cu2(pdc)2(4,4′-bipy)(H2O)(3H2O}2 1 (H2pdc = pyridine-2,6- dicarboxylic acid, also known as dipicolinic acid; 4,4′-bipy = 4,4′-bipyridine) has been synthesized by the hydrothermal reaction and its structure was determined by single-crystal X-ray diffraction. The crystal is of triclinic, space group Pī with a = 7.2278(3), b = 10.6259(4), c = 17.7614(6)A, α= 79.5990(10), β = 83.6300(10), γ = 71.8280(10)o, V = 1272.60(8)A3, C48H44Cu4N8O24, Mr = 1371.07, Z = 1, Dc = 1.789 g/cm3, μ = 1.747 mm-1, F(000) = 696, R = 0.0397 and wR = 0.1137 for 3938 observed reflections (I > 2σ(I)). There are two kinds of Cu coordination environments, and each central copper(II) atom is five-coordinated in a distorted square-based pyramidal coordination geo- metry. Four copper(II) atoms are linked by four pdc and two 4,4′-bipy ligands to form an annular rectangle structure. Extensive hydrogen-bonding interactions involving carboxylate O atoms as well as coordinated and free water molecules lead to the formation of a three-dimensional network struc- ture.     

Crystal Structure of 〔Aqua(oxalato)(1,10-phenanthroline)(H_2O)〕copper(Ⅱ) Monohydrate

1INTRODUCTIONThemixeda,a'-diimineandoxygendonorligandsofcopper(n)complexesareknowntobepossiblemodelsforenzyme~metalion-substrateandundernumerousin-vestigationst".Themixedoxalato2,2'-bipyridylcomplexesofcopper(I)havebeenwellcharacterizedL2j.Herebywereportthecrystalstructureofits1,lO-phenanthro-lineanalogue.2EXPERIMENTALThetitlecomplexwaspreparedbymixingCuCl,.2H,O,1,lO-phenanthrolineandH,C,o'inmethanol-water(1:lv/v)intheratio1:1:l.Afewdropsoftri-ethylaminewereaddedandtheresultingmi…     

A New Chain-like Copper(II) Polymer: [Cu(MOPIP)(BDC)]n·0.5n(H2O)

A metal-organic coordination compound formulated as [Cu(MOPIP)(BDC)]n·0.5n(H2O) 1(MOPIP = 2-(4-methoxyphenyl)-1H-imidazo[4,5-f][1,10] phenanthroline, BDC = 1,4-benze Nedicar- boxylate) has been hydrothermally synthesized and structurally characterized by elemental analysis, thermogravimetric analysis, IR spectrum, and single-crystal X-ray diffraction. The title compound crystallizes in the triclinic system, space group P, with a = 8.872(5), b = 11.163(6), c = 12.589(6) ?, α = 94.687(7), β = 99.930(6), γ = 103.074(7)°, V = 1186.7(12) ?3, C28H19CuN4O5.5, Mr = 563.01, Dc = 1.576 g/cm3, μ(MoKα) = 0.973 mm(1, F(000) = 576, Z = 2, the final R = 0.0607 and wR = 0.1618 for 3419 observed reflections (I > 2((I)).     

咪唑桥Cu(Ⅱ)-Co(Ⅱ)异双核配合物晶体结构与电子结构研究

本文报导了咪唑桥异双核配合物[(Ida)CuImCo(NH_3)_5](ClO_)4)_2·4H_2O(Ida为亚氨基二乙酸,Im=咪唑)的晶体结构。晶体属单斜晶系,空间群为P2_1/c,M_r=676.5,Z=4,D_c=1.911g/cm~3,晶胞参数为a=13.024(2),b=15.400(2),c=13.198(4)A,β=111.28(2)°。结构用直接法解出,经全矩阵最小二乘法修正,最后R因子为0.062。在分子中Cu(Ⅱ)处于Ida的两个0和一个N,咪唑的一个N及稍远处一个H_2O的O组成的变形四方锥配位环境中;Co(Ⅱ)则与5个NH_3及咪唑的另一个N配位,形成略有变形的八面体构型。对配位阳离子的CNDO/2计算表明,该配合物具有一定的催化O_(2-)歧化活性。     

二甲亚砜-二[4,4,4-三氟-1-(2-噻吩基)-1,3-丁二酮]合铜(II)的晶体结构

制备了标题化合物单晶,确定了它的分子和晶体结构,结果表明Cu(II)与五个氧原子配位,其中之一来自沿轴向(CH3)2SO.形成略为变形的四方锥结构.在配体上的噻吩基取顺式围绕差Cu(II)原子,这可以共轭效应来解释.     

Bis(2‐chloro‐5‐methylpyridine‐κN)bis(nitrato‐κ2O,O′)copper(II)

In the molecule of the title compound, [Cu(NO₃)₂(C₆H₆ClN)₂], the Cu atom lies on an inversion centre and is six‐coordinated by two pyridine N atoms and four nitrate O atoms in trans positions. The nitrate acts as an unsymmetrical bidentate ligand. The coordination geometry is octahedral, with the Cu—N and the two Cu—O distances being 1.9939 (16), 2.0246 (16) and 2.4866 (19) Å, respectively. There are five types of C—H⋯O hydrogen bonds. Two of these generate two‐dimensional molecular networks in the direction of the a axis, and the others connect adjacent molecular networks.     

Synthesis and Crystal Structure of {Cu_2(pdc)_2(4,4''''-bipy)(H_2O)·3H_2O}_2

1 INTRODUCTION The increasing interest in inorganic-organic hybrid framework assemblies has resulted in a great number of research efforts focused on the develop- ment of new functional materials possessing various potential applications on catalysis, electrical conduc- tivity and magnetism[1～4]. In recent years, the inter- action of H2pdc with several metal ions has been extensively studied[5, 6] due to its unique ability to form stable chelates in diverse coordination modes such as bid…     

Bis(μ‐1,10‐phenanthrolin‐2‐olato‐κ3N,N′:O)­dicopper(I)(Cu—Cu) monohydrate

The crystal structure of the title compound, [Cu₂(C₁₂H₇­N₂O)₂]·H₂O, shows that this dinuclear complex has shorter Cu—N, Cu—O and Cu—Cu distances within the coordination sphere than similar reported complexes. The complex mol­ecule is located on a centre of symmetry and the water mol­ecule is on a twofold axis of the space group C2/c. The discrete complex mol­ecules are extended into a two‐dimensional supramolecular array viaπ–π stacking interactions, intermolecular Cu⋯Cu interactions and C—H⋯O hydrogen bonds.     

Synthesis and Crystal Structure of [Cu (C_8H_4O_2F_3S) (2, 2' -bipy) ]

1INTRODUCTIONCoppercomplexesarewidelyusedascatalystsinthedecompositionofdisubsti-tutedperoxides"'-Theelectronicstructureandbondingatthecatalystscanbeprof-itablypursuedbystudyingmodelcomplexes.Generally,theCu(I)complexesareob-tainedbyreactionofCu(l)saltswithligands.Wereporthereamethodofpreparingcopper(I)complexbythereactionofCupowderwith2-thenoyltrifluoroacetone,2,2'-bipyinmethanol.2EXPERIMENTALReactionwascarriedoutundernitrogenatmosphere.2,2-bipy(1mmol)wasaddedtoamixtureof2-thenoyl…