Synthesis, Crystal Structure and Electrochemical Properties of a One-dimensional Chain Coordination Polymer [Mn（phen）（2,4,6-TMBA）2（H2O）]n

A one-dimensional chain-like coordination polymer [Mn(phen)(2,4,6-TMBA)2(H2O)]n has been synthesized from 2,4,6-trimethylbenzoic acid, 1,10-phenanthroline and anhydrous manga- nese(Ⅱ ) sulfate and then characterized. Crystal data for this complex: tetragonal, space group I41, a = 2.05643(16), b = 2.05643(16), c = 1.3939(2) nm, V = 5.8946(11) nm3, Mr = 579.54, Z = 8, Dc = 1.306 g/cm3, μ(MoKα) = 0.490 mm-1, F(000) = 2424, S = 0.985, the final R = 0.0411 and wR = 0.0950. The Flack factor is -0.01(2). The crystal structure shows that two neighboring man- ganese(Ⅱ ) ions are linked together by one bridge-chelating 2,4,6-trimethylbenzoic group, forming a one-dimensional chain structure. The manganese(Ⅱ ) ion is coordinated with two nitrogen atoms of one 1,10-phenanthroline, three oxygen atoms from three 2,4,6-trimethylbenzoic acids and one water oxygen atom, giving a distorted octahedral coordination geometry. The cyclic voltametric behavior of the complex was also investigated.     

Synthesis and Crystal Structure of a New Cadmium（Ⅱ） Coordination Polymer with Ethylenediaminetetraacetic Acid

A new cadmium(Ⅱ) coordination polymer,namely,[KCd2(edta)I]n(1,H4edta = ethylenediaminetetraacetic acid),has been prepared and structurally characterized by single-crystal X-ray diffraction.Crystallographic data for 1:C10H12Cd2IKN2O8,Mr = 679.02,monoclinic,space group P21/n,a = 9.870(5),b = 8.989(4),c = 19.082(10) ,β = 104.581(10)o,V = 1638.5(13) 3,Z = 4,Dc = 2.753 g/cm3,μ = 4.776 mm-1,F(000) = 1272,the final R = 0.0473 and wR = 0.1311 for 2846 observed reflections with I > 2σ(I).Polymer 1 features a 2-D layered structure,in which each edta4-ligand chelates/bridges five adjacent six-/seven-coordinated Cd(Ⅱ) centers with all ten donors(eight oxygen and two nitrogen) involved with coordination.Additional iodide I-ions as counterions are bound to the Cd(Ⅱ) centers in a terminal mode and the potassium K+ ions are located in the layers and surrounded by O and I atoms from neighboring environment.The thermal stability of 1 has been discussed.     

Hydrothermal Synthesis, Crystal Structure and Electrochemical Properties of Complex Mn2（phen）2（p-CBA）4（H2O）

One novel complex Mn2(phen)2(p-CBA)4(H2O) has been hydrothermally syn- thesized from p-chlorobenzoic acid (p-CBA), 1,10-phenanthroline (phen) and anhydrous man- ganese(Ⅱ) sulfate and then characterized. Crystal data for this complex: monoclinic, space group C2/c, with a = 2.3416(3), b = 1.5604(2), c =1.5605(2) nm, β = 121.048(2)o, V = 4.8849(12) nm3, Dc = 1.510 g/cm3, Mr = 555.26, Z = 8, μ = 0.798 mm-1, F(000) = 2256, GOOF = 1.032, the final R = 0.0393 and wR = 0.0816. The crystal structure shows that two neighboring manganese(Ⅱ ) ions are linked together by two bridge-chelating p-chlorobenzoic groups and one bridging water molecule, forming a cage structure with the Mn–Mn bond distance of 0.3512 nm. Each manganese(Ⅱ ) ion is coordinated by two nitrogen atoms of one 1,10-phenanthroline molecule and four oxygen atoms from three p-chlorobenzoic acid anions and one water molecule, giving a distorted octahedral coordination geometry. The cyclic voltammetric behavior of the complex was also investigated.     

Synthesis, Crystal Structure and Magnetic Properties of a Sandwich-type Polyoxometalate [H2N（CH2CH2）20]10[Mn2（AsVMo9Oa3）2]·12H2O

A new heteropolymolybdoarsenate [H2N(CH2CH2)2O]10[Mn2(AsVMo9O33)2]·12H2O(1) has been synthesized in aqueous solution and characterized by elemental analysis, IR spectroscopy, and single-crystal X-ray diffraction. The crystal is made up of sandwich-type [Mn2(AsVMo9O33)2]10- anions, [H2N(CH2CH2)2O]+ cations and H2O molecules of crystallization. The magnetic properties of 1 have been studied by measuring its magnetic susceptibility in the temperature range of 2.0-300.0 K, indicating the existence of antiferromagnetic interactions.     

Synthesis and Crystal Structure of a New Zn(Ⅱ) Coordination Polymer Constructed by 1,2,4,5-Benzenetetracarboxylate

A new Zn(Ⅱ) coordination polymer [Zn3(btec)(OH)2(H2O)2]n (1, btec = 1,2,4,5- benzenetetracarboxylate) has been synthesized by hydrothermal reaction and its structure was determined by single-crystal X-ray diffraction analysis. The title compound crystallizes in mono- clinic, space group C2/c, with a = 19.580(3), b = 5.0137(8), c = 15.975(3), β = 121.629(2)°, V = 1335.3(4)3, C10H8O12Zn3, Mr = 516.27, Z = 4, Dc = 2.568g/cm3, μ = 5.419 mm-1, F(000) = 1016, R = 0.0590 and Rw = 0.1279 for 1110 observed reflections (I > 2σ(I)). X-ray analysis shows that the asymmetric unit of the title compound contains two crystallographically unique Zn(Ⅱ) atoms which are connected through the bridging carboxylate oxygen atoms of the btec ligands and μ2-bridging oxygen atoms of water molecules to generate an infinite one-dimensional chain. The adjacent chains are linked together through the benzene rings of the btec ligands to form a two-dimensional polymeric network. The adjacent two-dimensional layers are further connected together by the benzene rings of btec ligands to give the final three-dimensional structure. The benzene rings act as pillars between two layers.     

Synthesis and Crystal Structure of a Cobalt（Ⅱ） Coordination Polymer with Benzene-1,3,5-triacetate and 1,4-Di（1H-imidazol-1-yl）benzene

A novel coordination polymer, [Co3 (bta)2(dib)2]·4H2O (1, H3bta=benzene-1,3,5-triacetic acid, and dib=1,4-di(1H-imidazol-1-yl)benzene), has been hydrothermally prepared and characterized by IR spectroscopy, elemental analysis and single-crystal X-ray diffraction. The crystal is of triclinic system, space group Pī, with a=9.141(2), b=9.667(2), c=13.855(2), α=100.83(3), β=90.81(3), γ=100.94(3)°, V=1179.0(4)3 , C48H46N8O16Co3 , Mr=1167.72, Dc=1.645 g/cm 3 , F(000)=599, μ=1.127 mm-1 and Z=1. The final R=0.0634 and wR=0.1703 for 4291 observed reflections (I > 2σ(I)). In the title complex, the bta ligand acts as a four-dentate bridging ligand to link up cobalt atoms into a lamellar framework, which are further interlinked by the dib ligands to generate a binodal (3,8)-connected tfz-d net.     

Synthesis,Crystal Structure and Fluorescence Property of a Zinc(Ⅱ) Coordination Polymer with a Theoretical Calculatio

We have designed and synthesized a new luminescent coordination polymer[Zn₂(NO₃)(NCP)₃(H2O)₃]n·2 nH₂O(1,HNCP=2-(2-carboxyphenyl)imidazo-[4,5-f]-1,10-phenanthroline)under hydrothermal conditions,which has been structurally characterized by single-crystal X-ray diffraction analyses.1 crystallizes in monoclinic,space group P2₁/n,with a=13.7748(3),b=19.2651(4),c=19.9543(4)?,β=95.339(2)o,V=5272.35(19)?³,C₆₀ H_39.73 N₁₃ O_13.33 Zn₂,M_r=1286.80,D_c=1.621 g/cm³,Z=4,μ(Mo Ka)=2.118,F(000)=2629,the final R=0.0598 and w R=0.1483.In 1,the organic ligand NCP-displays two different bridging modes to connect adjacent Zn(II)ions into a 1 D chain along the c-direction.Photoluminescent analyses reveal that 1 exhibits a strong green emission with a fluorescent lifetime of 5.57 ns.The first-principle calculation results show that the luminescence mainly originates from ligand-centered charge transition.     

Hydrothermal Synthesis and Crystal Structure of a One-dimensional Cadmium（Ⅱ） Complex

A metal-organic coordination polymer [Cd2(cbba)4(bix)2] n·nH2O (Hcbba=2-(4′-chlorine-benzoyl)-benzoic acid, bix=1,4-bis(imidazol-1-ylmethyl)-benzene) 1 has been hydrothermally synthesized and characterized by elemental analysis, IR, TG, fluorescence spectrum and single-crystal X-ray diffraction. Colorless crystals crystallize in the triclinic system, space group Pī with a=12.9891(15), b=15.3211(19), c=21.154(3), α=108.476(3), β=90.148(2), γ=105.429(3)°, V=3831.5(8)3 , C84H60Cd2Cl4N8O13 , Mr=1756.00, Dc=1.522g/cm3 , F(000)=1776, Z=2, μ(MoKα)=0.765 mm-1 , the final R=0.0724 and wR=0.1208 for 6916 observed reflections (I > 2σ(I)). The structure of 1 exhibits a one-dimensional infinite chain-like structure.     

Hydrothermal Synthesis and Crystal Structure of a One-dimensional Cobalt（Ⅱ） Complex

A metal-organic coordination polymer [Co2(cbba)4(bix)2]n(Hcbba = 2-(4'-chlorine-benzoyl)-benzoic acid,bix = 1,4-bis(imidazol-1-ylmethyl)-benzene) 1 has been hydrothermally synthesized and characterized by elemental analysis,IR,TG,and single-crystal X-ray diffraction.Pink crystals crystallize in the monoclinic system,space group P21/n with a = 21.148(4),b = 15.728(3),c = 23.879(4) ,β = 102.148(3)°,V = 7764(2)3,C316H232Cl15Co8N32O48,Mr = 6248.53,Dc = 1.336 g/cm3,F(000) = 3207,Z = 1,μ(MoKα) = 0.621 mm-1,the final R = 0.0567 and wR = 0.1280 for 8510 observed reflections(I > 2σ(I)).The structure of 1 exhibits a one-dimensional chain-like structure.     

Synthesis and Crystal Structure of aNovel Polymer Copper（ Ⅱ） Complex

1 INTRODUCTION One-dimensional coordination polymers of metal complexes have been extensively studied for many years owing to their unusual properties, and many efforts have been made to prepare these kinds of complexes. Study on these polymer complexes has an active field of coordination chemistry in recent years[1～5]. In this study we obtained a com- plex C14H9CuNO3CH3OH, of which the carboxy- late oxygen atom acts as the bridging ligands to coordinate to the second metal atom, fo…     

Synthesis, Crystal Structure and Luminescence Property of a 2D Mn（II） Coordination Polymer Based on Isoniazid

A novel 2D Mn(Ⅱ) coordination polymer [Mn(CH3COO)2(INH)]n(INH=isoniazid) has been synthesized in DMF solution with isoniazid and Mn(CH3COO)2 . The polymer was characterized by single-crystal X-ray diffraction analysis, FTIR and X-ray powder diffraction (XRPD). The crystal belongs to the monoclinic system, space group P2 1 /c with a=9.3251(18), b=16.340(3), c=8.8096(17) , β=94.747(3)°, V=1337.7(4) 3 , Z=4, μ(MoKα)=1.006 mm -1 , F(000)=636, R=0.0754 and wR=0.1375 (I > 2σ(I)). In the complex, each Mn(Ⅱ) atom is coordinated to three CH3COO- groups and two INH ligands. The Mn(Ⅱ) atoms locate in a distorted coordination octahedron and are bridged by CH3COO- ions to form a 1D S shaped chain extending along the c direction. The INH molecules act as bridges to link the Mn(Ⅱ) atoms of adjacent chains and further construct a lamellar polymer. The remaining coordination site is occupied by an O atom of the other CH3COO-. The experimental results show that the title complex has good luminescence property and could be used as potential optical materials.     

Synthesis and Crystal Structure of a New Three-dimensional Coordination Polymer： [Mn（2,3- pdc） （H2O）]n （2,3-pdc = Pyridine-2,3-dicarboxylate）

A new three-dimensional coordination polymer [Mn（2,3-pdc）（H20）]n （2,3-pdc = pyridine-2,3-dicarboxylate） 1 has been hydrothermally synthesized and structurally characterized. The crystal belongs to the monoclinic system, space group P21/c with a = 6.4168（5）, b = 10.7939（9）, c = 11.1549（10） A, β = 94.733（4）°, V = 769.98（11） A3, Z = 4, Mr = 238.06, De = 2.054 g/cm3, μ（MoKa） = 1.707 mm-1, F（000） = 476, Rint = 0.0326; R = 0.0499 and wR = 0.1636 for 1564 observed reflections with I 〉 2σ（I）. X-ray diffraction analyses reveal that the title compound is a three-dimensional coordination polymer consisting of one MnⅡ center with a distorted octahedral environment arranged by four 2,3-pdc ligands and one water molecule.     

Synthesis and Crystal Structure of a Mn(II) Complex with Thiosemicarbazone Derivative of Pyridine-3-carbaldehyde Showing Unusual Coordination Mode of Tridentate Thiosemicarbazone

1 INTRODUCTION Heterocyclic thiosemicarbazones as well as their metal complexes have been attracting considerable interest due to their biological activities, such as antiviral, antibacterial, antimalarial, antifungal, and antitumoral activities[1～5]. This prompted us to carry out structural studies of these complexes to provide a basis for understanding their behaviors in living systems. Although quite a number of investigations on the 2-heterocyclic thiosemicarbazones have ap- peared[6…     

二维配位聚合物[Mn(FA)2(4，4′-bipy)]n的合成、晶体结构及量子化学研究

A novel manganese coordination polymer [Mn(FA)₂(4，4′-bipy)]_n(HFA=2-furancarboxylic acid, 4,4′-bipy=4,4′-bipyridine) has been synthesized by hydrothermal methods. The crystal structure was determined by single-crystal X-ray diffraction. The crystal is of monoclinic, space group C2/c with a=1.698 4(3) nm, b=1.168 6(2) nm, c=1.009 5(17) nm, β=109.455(11)°, V=1.889 2(6) nm³, Z=4, D_c=1.523 g·cm^-3, M_r=433.27, F(000)=884, μ=0.740 mm^-1, R₁=0.028 2 and wR₂=0.071 0. In the crystal, the manganese atom is six-coordinated by two nitrogen atoms from 4,4′-bipyridine and four oxygen atoms from furancarboxylic acid molecules, completing an octahedral geometry. The 4,4′-bipyridine molecules are connected to the infinite chain [Mn(FA)₂]_n to form a two-dimensional layer. The quantum chemistry calculation on the title complex has been performed by means of G98W package and taking Lanl2dz basis set. CCDC: 296763.     

二维配位聚合物[Mn(FA)_2(4,4''''-bipy)]_n的合成、晶体结构及量子化学研究

配位聚合物通常是通过某种有机配体与金属的配位几何选择以及无限网络的拓扑结构控制而形成的具有无限结构的化合物[1],其结构新颖并具有不寻常的光电效应、非线性光学性能、磁性、超导及催化等诸多具有诱人应用前景的独特性能。因此,近二十多年来倍受化学家和材料学家的重视[2     

Synthesis and Crystal Structure of a Novel Cobalt（Ⅱ） Coordination Polymer with 1,2,4,5-Benzenetetracarboxylate

A novel cobalt（II） coordination polymer,[Co（BTEC）1/2]n 1,has been synthesized with Co（NO3）2·6H2O and 1,2,4,5-benzenetetracarboxylic acid （H4BTEC） by the hydrothermal method,and characterized by elemental analysis,IR and single-crystal X-ray diffraction. Crystallographic data for 1： C5HO4Co,Mr = 183.99,monoclinic,space group C2/c,a = 16.619（6）,b = 7.416（3）,c = 8.040（3）A,β = 90.612（4）°,V = 990.8（6） A^3,Z = 8,Dc = 2.467 g/cm^3,μ = 3.390 mm^-1,F（000） = 720,R = 0.0307 and wR = 0.0847 for 912 observed reflections （I 〉 2σ（I））. X-ray crystal structural analysis revealed that each Co（II） adopts a tetrahedral coordination mode to link four separate BTEC ligands via uniform monodentate carboxylate groups and each BTEC ligand possesses an 8-connected geometry to connect eight Co（II） ions. Complex 1 exhibits a rare （4,8）-connected net with （45.6）2（410.614.84） topology.     

一维链配位聚合物[Mn(acacen){N(CN)2}]n的合成、结构和性质的研究(英)

The manganese(Ⅲ) complex [Mn(acacen){N(CN)₂}]_n [H₂acacen=bis(acetylacetone)ethylenediimine] has been synthesized and the structure has been determined. The complex forms a one-dimensional chain structure via the bidentate bridge ligand μ_1,5-[N(CN)₂]^- linking [Mn(acacen)] moiety. The magnetic property of the compound (75～300 K) shows the existence of an antiferromagnetic exchange interaction among paramagnetic centers along the chain. CCDC: 244940.     

Synthesis and Crystal Structure of a Manganese Coordination Polymer [（phen）MnCl2]n

1 INTRODUCTION Polymeric manganese complexes with fascinating topological chemistry have received considerable interest[1, 2]. The complexation of phen with man- ganese ion gives rise to a wide variety of coordi- nation complexes; however, (phen)Mn coordina- tion polymers are rare since the chelation of phen results in 1 to 3 5-membered chelating rings, ob- structing the way towards the coordination poly- mer. Similar situation has also been observed for 2,2?-bipyridine (bpy) which has si…     

4-羧基苯氧乙酸锰配位聚合物[Mn(p-CPOA)(H_2O)_3]_n的合成与晶体结构

0引言由于羧酸化合物具有丰富的配位结构类型,而且羧酸桥联多核配合物广泛存在于生物体内金属蛋白和金属酶的活性部位,使其在配位化学中占有重要地位[1]。尤其是近年来,研究发现羧酸配位聚合物具有潜在的光学、磁学、吸附分离、信息储存以及催化等性能,使得由苯二甲酸,均苯三甲     

Preparation, Crystal Structure and Thermal Behaviour of a One-dimensional Coordination Polymer [Mn（m-CPOAH）2（H2O）2]n

1 INTRODUCTION Supramolecular chemistry of manganese(II) car- boxylate coordination polymers has been inten- sively studied in recent years, within which ligand design is an important aspect in adjusting the coordi- nation framework and functionalities of the complexes formed[1～4]. Carboxyphenoxyacetic acids (CPOAH2), which have been known to show biological activities and are widely used in agriculture, are a family of multidentate flexible ligands with versatile binding abilities. …