A Lanthanide-transition Metal Coordination Polymer：{[CuEu（Hbidc）_2（H_2O）_4]·H_2O}_n（H_3bidc=1H-benzimidazole-5,6-dicarboxylic Acid）

The title complex 1,{[CuEu(Hbidc)2(H2O)4]·H2O}n(H3bidc = 1H-benzimidazole-5,6-dicarboxylic acid),has been solvothermally synthesized and structurally characterized by single-crystal X-ray diffraction.Complex 1 crystallizes in triclinic,space group P1,with a = 7.791(2),b = 12.058(3),c = 12.109(3),α = 82.189(5),β = 72.407(5),γ = 89.184(4)°,V = 1073.7(5)3,C18H18CuEuN4O13,Mr = 713.86,Dc = 2.208 g/cm3,μ(MoKα) = 3.967 mm-1,F(000) = 700,GOOF = 0.950,Z = 2,the final R = 0.0531 and wR = 0.1068 for I > 2σ(I).Complex 1 possess a tape-like chain structure consisting of Eu2C8O4 and Cu2Eu2C18N4O4 metallic rings alternatively arranged and is the first 3d-4f heterometallic complex based on the 1H-ben-zimidazole-5,6-dicarboxylato ligand(Hbidc).Plenty of hydrogen-bonding and π...π stacking interactions connect the 1D chains to construct a 3D supramolecular architecture.     

Zigzag-Ladder Structure Coordination Polymer Containing Supramolecular Capsules of Dinuclear Lanthanide Ions by p-Sulfonatothiacalix[4]arene

Two isomorphous 2D zigzag-ladder structure coordination polymers containing coordination supramolecular capsules are reported,which are built by trivalent lanthanide ions,pyridine N-oxide(PNO) and p-sulfonatothiacalix[4]arene(H4TCAS4-):[Ln2(PNO)2(H2O)10?(H2TCAS)2].[Ln2(H2TCAS)2(H2O)6(MeOH)2].2MeOH.12H2O(Ln = La,1;Nd,2).Crystal data for complex 1:C31H51La2NO33S8,Mr = 1500.03,triclinic system,P 1 space group,with a = 11.732(2),b = 15.007(3),c = 15.262(3),α = 78.05(3),β = 80.77(3),γ = 83.89(3)°,Z = 2,V = 2587.3(9)3,Dc = 1.925 g/cm3,μ = 2.051 mm-1,F(000) = 1500,the final R = 0.0300 and wR = 0.0823;and those for complex 2:C31H51Nd2NO33S8,Mr = 1510.69,triclinic system,P1 space group,with a = 11.719(2),b = 14.941(3),c = 15.157(3),α = 78.03(3),β = 80.84(3),γ = 83.95(3)°,Z = 2,V = 2555.9(9)3,Dc = 1.963 g/cm3,μ = 2.436 mm-1,F(000) = 1512,the final R = 0.0493 and wR = 0.1267.There are two coordination environments of lanthanide ions.One is bridged by two PNO molecules forming a dimeric Ln ion in the O,O'-μ2 mode.The dinuclear ions are shrouded by two H2TCAS6-ions through coordination interactions and hydrogen bonds.The other coordination mode of Ln ions is a zigzag 1D chain linked by up-down H2TCAS6-ions.By the coordination capsules,the complexes form 2D zigzag-ladder structure coordination polymers.     

Synthesis and Crystal Structure of a Ca~Ⅱ Coordination Polymer of H_2Adefovir (H_2Adefovir={[2-(6-Amino-9H-purin-9-yl)ethoxy]methyl}phosphonic Acid)

A Ca II coordination polymer of H 2 Adefovir (H 2 Adefovir={[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}phosphonic acid),[Ca(H 2 O)(Adefovir)] n (1),has been synthesized via the reaction of Ca(OH) 2 and H 2 Adefovir under hydrothermal conditions.Complex 1 crystallizes in the monoclinic system,space group P2 1 /c with a=22.344(5),b=6.8505(14),c=8.0101(17),β=90.356(4)o,V=1226.0(4)3,M r=329.28,D c=1.784 g/cm 3,μ=0.672 mm-1,F(000)=680,Z=4,the final R=0.0296 and wR=0.0916 for 2295 observed reflections with I > 2σ(I).In the structure,the Ca II center is coordinated to the phosphate group of Adefovir anion,forming a 2D coordination layer,and such layers are linked into a 3D framework by hydrogen-bonding interactions between the adenine groups of Adefovir anion.     

Synthesis, Crystal Structure and Antibacterial Activity of a New Ternary Copper（Ⅱ） Complex with 2,6-Pyridinedicarboxylic Acid and 1,10-Phenanthroline

A new ternary copper(II) complex,[C 43 H 27 Cu 2 N 7 O 5 ]·[C 14 H 6 CuN 2 O 8 ]·6.5H 2 O,has been synthesized by the reaction of copper sulfate,2,6-pyridinedicarboxylic acid and 1,10-phenanthroline (phen),and characterized by elemental analysis,IR,UV and X-ray single-crystal diffraction.It crystallizes in triclinic,space group P1,with a=14.379(5),b=15.510(5),c=15.835(6),α=78.567(6),β=63.594(6),γ=81.287(6)°,V=3092.1(19)3,C 57 H 46 Cu 3 N 9 O 19.5,M r=1359.54,Z=2,D c=1.446 Mg/m 3,λ(MoKα)=0.71073,μ=1.101 mm-1,F(000)=1362,S=1.071,the final R=0.0718 and wR=0.11960 for 10705 observer reflections (I > 2σ(I)).The structure unit of the title complex consists of a mononuclear part and a di-nuclear part,and the three copper ions show three coordination modes.Each 6-coordinated geometry of the Cu atom is a distorted octahedral coordination geometry.The 3D supramolecular system is formed by the hydrogen bond O-H···O and π-π stacking interaction between neighboring single cells.The antibacterial activity of the title complex is also studied.     

Crossed Ladders in a 2-D Mixed-ligand Lanthanide Coordination Polymer:Synthesis,Crystal Structure and Photoluminescence

A new metal-organic coordination polymer,[Ce(L 1)(L 2)(H 2 O)]·2H 2 O (1,H 2 L 1=2,6-dimethylpyridine-3,5-dicarboxylic acid,H 2 L 2=(E)-2,6-dimethyl-4-styrylpyridine-3,5-dicer-boxylic acid),has been synthesized and characterized by elemental analysis,IR,and X-ray single-crystal diffraction.Compound 1 crystallizes in triclinic,space group P1 and displays a two-dimensional coordination network structure.In 1,the relatively rare crossed ladders cons-tructed by mixed ligands organize a 2-D grid with the topology of (4 2 6) 2 (4 8 6 6 8),and the layers further build up a 3-D supramolecular architecture via interlaminar hydrogen bonds.     

Synthesis and Crystal Structure of a Polyoxomolybdate Framework Modified by Mn-L Units（L=3-（2-Pyridyl）pyrazole）

A new polyoxomolybdate compound,namely {[MnII(L)(4,4?-Hbipy)(H2O)2]2 [Mo5O15(PO4)2]}.2H2O 1(L = 3-(2-pyridyl)pyrazole,4,4'-Hbipy = protonated 4,4'-bipyridine),was designed and synthesized under hydrothermal conditions.Single-crystal X-ray diffraction analysis result reveals that the [Mo5O15(PO4)2]6-cluster in compound 1 links to two MnII cations via the oxygen of PO43-,which is further coordinated by one 3-(2-pyridyl)pyrazole,one 4,4'-Hbipyridine,and two water molecules.     

A Perfect Three-dimensional Hydrogen Bonding Network within Hydroxonium Hexa-aqua-magnesium（Ⅱ） Trichloride

Hydrothermal reaction of MgCl 2 and ethyl tetrazolate-5-carboxylate at 160 ℃ unexpectedly yielded compound {(H 3 O)[Mg(H 2 O) 6 ]Cl 3 } (1).The result of X-ray diffraction analysis indicates that 1 crystallizes in the monoclinic system,space group C2/c with a=9.2896(3),b=9.5570(4),c=13.3169(5),β=90.1221(12)°,V=1182.28(8)3,Z=4,M r=257.78,D c=1.448 g/cm 3,μ=0.824 mm-1,F(000)=536,R=0.0265 and wR=0.0706.1 is composed of one hexa-aqua-magnesium(II) ion,one hydroxonium ion,and three chlorine anions.These three com-ponents weave a perfect three-dimensional (3D) (4,4,6,12)-connected hydrogen bonding network within 1.     

Synthesis,Crystal Structure and Properties of a Novel Nickel Citrate Ni（H_2cit）（phen）（H_2O）·3H_2O（H_4cit = Citrate Acid,phen=1,10-Phenanthroline）

A new nickel citrate compound Ni(H2cit)(phen)(H2O).3H2O(H4cit = citrate acid,phen = 1,10-phenanthroline) has been synthesized and characterized by single-crystal X-ray diffraction.It crystallizes in the trigonal system,space group P31 with a = 13.8319(13),c = 10.425(2),V = 1727.3(4)3,Dc = 1.445 g/cm3,Mr = 501.09,F(000) = 780,μ = 0.901 mm-1,Z = 3,R = 0.0760 and wR = 0.1730 for 3859 observed reflections(I > 2σ(I)).In this compound,Ni2+ cation is chelated by a phen molecule,one H2cit2-anion and one H2O molecule.The citric acid coordinates to the Ni2+ center through three functional groups:α-hydroxyl,α-carboxylate and β-carboxylate while another α-carboxylate forms hydrogen bond with surrounding H2O molecule.And the citric acid is doubly protonated.The temperature-dependent magnetic susceptibility data revealed that the compound is a paramagnetic material.     

Synthesis,Structure,and Magnetic Property of One Novel Entangled Cobalt~Ⅱ-organic Compound

One novel entangled cobalt compound,{[Co 3 (nbta) 2 (4,4-bpy) 2 (H 2 O) 2 ](H 2 O) 2 } n (1,H 3 nbta=5-nitro-1,2,3-benzenetricarboxylic acid,4,4-bpy=4,4-bipyridyl),was prepared and characterized by X-ray diffraction,magnetism,elemental analysis,XPS,TGA and IR spectroscopy.The crystal of 1 crystallizes in monoclinic,space group Pc with a=13.0717(16),b=11.4167(14),c=15.9342(19),β=90.5190(10)o,V=2377.9(5)3,Z=2,C 48 H 36 Co 3 N 8 O 20,M r=1221.64,D c=1.706 g/cm 3,F(000)=1242 and μ(MoKα)=1.128 mm-1.The final R=0.0497 and wR=0.1461 for 4185 observed reflections with I > 2σ(I) and R=0.0721 and wR=0.1619 for all data.X-ray diffraction analyses revealed that Co(1) is linked by the nbta 3-ligands to form the ladder shape along the c axis,which is further extended into two-dimensional networks via the joint of Co(2) along the a axis.Moreover,these two dimensional motifs are interconnected by the 4,4-bpy bridges to form a complicated 3-D polymeric framework.Magnetic measurements revealed that compound 1 shows strong antiferromagnetic property.     

Synthesis, Structure and Topological Analysis of a New Zinc（Ⅱ） Complex [Zn2（bptc）（bpe）（H2O）]n

A novel zinc coordination polymer,[Zn 2 (bptc)(bpe)(H 2 O)] n (1,H 4 bptc=3,3,4,4-benzophenonetetracarboxylate,bpe=1,2-bis(4-pyridyl) ethane),has been prepared under hydrother-mal conditions.The crystal structure is of monoclinic,space group C/2c with a=27.50(2),b=6.207(4),c=16.233(11),β=107.522(14)°,V=2642 (3)3,C 29 H 22 N 2 O 11 Zn 2,M r=705.27,Z=4,D c=1.773 g/cm 3,F(000)=1432,μ=1.887 mm-1,R=0.0421 and wR=0.1049 for 2594 observed reflections (I > 2σ(I)).X-ray single-crystal diffraction analysis shows that 1 features two-dimensional [Zn 2 (bptc)(H 2 O)] layers,which are further linked by the bpe ligands to give rise to a three-dimensional pillar-layered structure.According to the topology analysis,this framework can be simplified into a (4,6)-connected (4 4 ·6 2)(4 4 ·6 10 ·8) network.     

Hydrothermal Synthesis and Crystal Structure of An Iron（Ⅱ） Formate [H3CO3] [Fe（HCO2）3]

An iron(Ⅱ) formate [H 3 CO 3 ][Fe(HCO 2) 3 ] (1) has been synthesized under hydro-thermal conditions and characterized by single-crystal X-ray diffraction analysis.Complex 1 crystallizes in the orthorhombic system,space group Pnna with a=8.4130(4),b=11.8306(6),c=8.9468(4),α=106.527(4),β=105.876(4),γ=103.173(4) o,M r=253.94,V=890.48(7)3,Z=4,D c=1.894 g/cm 3,μ=1.721 mm-1,F(000)=512,R int=0.0164,the final R=0.0323 and wR=0.0998 for 979 observed reflections (I > 2σ(I)).1 exhibits a 3D open microporous framework formed by formate anions bridging Fe(Ⅱ) ions.     

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.     

Hydrothermal Synthesis, Crystal Structure and Photoluminescence of [Sm（PCA）_3（H_2O）_2]_n·6nH_2O

A new one-dimensional (1-D) compound [Sm(PCA)3(H2O)2]n·6nH2O (1, HPCA=pyrazinecarboxylic acid) has been synthesized via hydrothermal reaction and structurally characterized by single-crystal X-ray diffraction. Compound 1 crystallizes in the Pbca space group of orthorhombic system with a=19.465(3), b=12.034(4), c=19.842(4) , V=4648(2)3, C15H25N6O14Sm, Mr=663.76, Dc=1.897 g/cm3, S=1.023, μ(MoKα)=2.610 mm-1, F(000)=2648, R=0.0239 and wR=0.0616. Compound 1 is characteristic of an infinite 1-D chain-like structure with the samarium atoms locating at an environment of a monocapped square antiprism. The [Sm(PCA)3(H2O)2]n chains and the lattice water molecules interconnect together through π-π interactions and hydrogen bonding interactions to yield a 3-D supramolecular framework. Photoluminescent investigation reveals that the title compound displays an emission in the greenish blue region.     

Synthesis and Structure of a Mononuclear Co（Ⅱ） Complex Based on a Salicylideneaniline Ligand, （Z）-4-（2- Hydroxybenzylideneamino）-2-hydroxybenzoic Acid

The reaction of a new salicylideneaniline ligand, （Z）-4-（2-hydroxybenzylideneamino）-2-hydroxybenzoic acid （HL） with COCl2-6H2O yields one Co（Ⅱ） complex, [CoL2（CH3OH）2 （H2O）2]. This complex crystallizes in monoclinic P21/n space group, with a = 5.4992（5）, b = 18.2200（15）, c = 14.8678（14） ,A, β= 98.64（1）°, V = 1472.8（2）A3, C30H32CoN2O12, Mr = 671.51, Z = 2, Dc = 1.51416 g/cm^3, F（000） = 698, μ = 0.652 mm^-1, T = 298（2） K, R = 0.0514 and wR = 0.1735 for all 2675 observed reflections （I 〉 2σ（I））. In this complex, the imine N does not link to Co（H） and a remarkable torsion around C=N bond is observed. Through hydrogen bonds, the monomers aggregate into an interesting ＂Z-shape＂ framework.     

Hydrothermal Synthesis and Crystal Structure of a 2D Zinc（Ⅱ） Coordination Polymer with 5-Hydroxynicotinic Acid

The title compound,[Zn(5-hydroxynicotinate) 2 2H 2 O] n,has been synthesized by reacting zinc sulfate vitriol with 5-hydroxynicotinic acid under hydrothermal conditions,and its structure was determined by X-ray crystallography with the following data:monoclinic,space group C2/c,C 12 H 12 N 2 O 8 Zn,M r=377.61,a=10.223(3),b=10.319(3),c=13.613(4),β=105.922(6)°,Z=4,V=1380.9(8)3,F(000)=768,D c=1.816 g/cm 3,μ(MoKα)=1.826 mm-1,the final R=0.0401 and wR=0.1380 for 1157 observed reflections (I > 2σ(I)).In the structure of the title compound,the Zn II ion located in an inversion center lies in a distorted tetrahedral environment at a N 2 O 2 coordination mode,and the 5-hydroxynicotinic acid ligand links symmetry-related Zn II ions at a μ 2-N,O bridging way forming a two-dimensional covalent structure.In the crystal,solvent water molecules form intermolecular O-H O hydrogen bonds and pyridine rings of adjacent layers form π-π stacking (3.346),which connect adjacent two-dimensional sheets into a three-dimensional supramolecular network.     

Synthesis and Crystal Structure of a Cadmium（Ⅱ） Coordination Polymer：[Cd_2Cl_4（bpme）]_n·n（2H_2O）

A novel coordination polymer, [Cd2Cl4(bpme)]n·n(H2O) (1, bpme=2,5-bis(be-nzoimidazol-2-yl)pyrazine), has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction. The crystal of the complex belongs to the triclinic system, space group P , with a=7.0737(9), b=8.7886(11), c=9.4561(12) , α=105.3580(10), β=94.981(2), γ=96.879(2)°, V=558.46(12) 3, Mr=714.97, Z=1, F(000)=346, Dc=2.126 g/cm3, μ=2.412 mm-1, T=296(2) K, S=1.057, R=0.0533 and wR=0.1480. According to the structural analysis, the Cd(Ⅱ) ion adopts a slightly distorted six-coordinated octahedral geometry. The Cd(Ⅱ) atoms are bridged by four Cl atoms along the a direction, forming infinite straight chains which are further constructed to generate 2D network layer structures through the μ4-N bpme ligand in the b direction, and such 2D network layer structures finally form a novel three-dimensional infinite supramolecular framework through weak π-π stacking between two network layers and hydrogen bonds.     

Synthesis and Crystal Structure of a New Nickel(II) Complex with Unsymmetric Quadridentate Schiff Base Containing Oxime

1 INTRODUCTION The interest in the complexes of transition met-als with ketoxime ligands[1, 2] as potential modelsfor metal binding sites in ferroverdin[3, 4] hasprompted the investigations on the structures andthe overall coordination geometry of the metalcenters in these complexes. Oxime derivatives areinteresting ligands since the ketoximes are foundto chelate transition metals through the N (oxime)and O (ketone) donors[5～10]. Herein we report thesynthesis…     

Synthesis, Characterization and Crystal Structure of a Diiron Azadithiolate Complex [（μ-SCH2）2NCH2Ph]Fe2（CO）5（PPh3）

Treatment of complex [(μ-SCH 2) 2 NCH 2 Ph]Fe 2 (CO) 6 with PPh 3 in the presence of decarbonylating agent Me 3 NO·2H 2 O afforded the title complex [(μ-SCH 2) 2 NCH 2 Ph]Fe 2 (CO) 5 (PPh 3) in 70% yield.The new complex was characterized by elemental analysis,IR,and 1 H (31 P,13 C) NMR spectroscopic techniques as well as by X-ray crystallography.It crystallizes in triclinic,space group P 1 with a=9.3016(19),b=12.698(3),c=13.904(3),V=1519.8(7)3,Z=2,C 32 H 26 Fe 2 NO 5 PS 2,M r=711.33,D c=1.554 g/cm 3,μ(MoKα)=1.187 mm-1,F(000)=728,T=113(2) K,the final R=0.0288 and wR=0.0680 for 3982 observed reflections (I > 2σ(I)).The PPh 3 ligand resides in an axial position of the square-pyramidal geometry of the neighboring Fe atom and trans to the benzene ring in order to minimize the steric repulsion between PPh 3 and the benzene ring.     

Synthesis, Characterization and Crystal Structure of a Dinuclear Silver(I) Complex: [AgL(NO_3)]_2 (L= 2-Acetamido-5-methyl-1,3,4-thiadiazole)

1INTRODUCTION There has been great interest in supramolecular tran-sition metal chemistry since self-assembly through coor-dinate bond formation has proven to be powerful tool for constructing rings,polymers and networks.Some of these compounds have potential uses in the context of molecular recognition,catalysis,size-selective guest transportation,optical materials,molecular magne-tism,semiconductors and conductors[1~4].Organic ami-des have proved to be useful in self-assembly through int…     

Synthesis and Crystal Structure of a Cyano-bridged Bimetallic Complex [La(betaine)2(H2O)6Fe(CN)6]·2H2O

The title complex [La(betaine)2(H2O)6Fe(CN)6](2H2O (betaine = (CH3)3NCH2CO2) has been synthesized and characterized by X-ray single-crystal structure analysis. The crystal crystallizes in monoclinic, space group P21/n with a = 15.793(5), b = 8.927(3), c = 22.257(7) (A), β = 110.147(5)°, C16H38FeLaN8O12, Mr = 729.31, Z = 4, V = 2946.0(15) (A)3, Dc = 1.640 g/m3, μ(MoKα) = 1.988 mm-1, F(000) =1476, R = 0.0388 and wR = 0.0827 for 4237 observed reflections (I > 2σ(I)). The La3+ ion is nine-coordinated by one cyano nitrogen atom and eight oxygen atoms of two betaine and six water molecules. Each complex molecule is connected to form a 3D network structure by some O-H…O and O-H…N hydrogen bonds.