Synthesis and Crystal Structure of N,N＇-Dimethyldithio-arbamato-Copper（Ⅰ） Polymer {[Cu（Me2dtc）]2}n

Reactions of CuSCN with tetramethylthiuram disulfide in CH₃CN in the presence of styrene and N,N,N′,N″,N″‐pentamethyldiethylenetriamine gave rise to a new copper(I) complex ofN,N′‐dimethyldithiocabamate ([CU(S₂CNMe₂)]₂)_n. The title compound crystallized in the triclinic P‐1 space group with lattice parameters a=0.7610(4) nm, b=0.8911(4) nm, c=0.9268(5) nm, α=68.66(1)°, β=83.88(2)°, γ=79.31(2)°, V=0.5748(5) nm³, Z=2. The compound has a unique 1D chain structure composed of CuSCSCuSCS eight‐membered rings and a pair of CU? S bonds, the structure of which has been determined by singlecrystal X‐ray crystallography. The isolation of this compound may provide some helpful information for the cause of the induction periods of the reverse atom transfer radical polymerization.     

Synthesis and Crystal Structure of a 1-D Coordination Polymer {[Cu(NIT4py)_2(ip)]·6H_2O}_n

1 INTRODUCTION Pyridyl-substituted nitroxide radicals have at- tracted considerable attention in recent years due to the ability to coordinate with metal ions and act as magnetic couplers, giving rise to new functional ma- terials with particular magnetic and optical prope- rties as well as a variety of structural topologies[1~3]. Considerable efforts have been made in designing and preparing multi-dimensional materials with app- ropriate bridges, such as pseudohalide, dicyanide, dicyanoa…     

Synthesis, Crystal Structure and Photoluminescent Property of a Novel Silver(I) Compound {[Ag(bpp)]_2(Hphth)(NO_3)·(H_2O)_2}_n

Self-assembly of Ag(I) nitrate, 1,3-bis(4-pyridyl)propane (bpp) and phthalic acid monopotassium salt (KHphth) in CH3OH-H2O solution produced the title complex, {[Ag(bpp)]2(Hphth)(NO3)·(H2O)2}n, which was characterized by single-crystal X-ray diffraction, elemental analysis, IR spectrum, and photoluminescent spectrum. Single-crystal X-ray analysis revealed that the complex crystallizes in a monoclinic system, space group P21/c, with a = 15.4174(5), b = 8.6398(2), c = 25.2466(8) , β = 91.072(1)o, V = 3362.34(17) 3, Z = 4, C34H37N5O9Ag2, Mr = 875.43, Dc = 1.729 g/cm3, μ = 1.228 mm-1, F(000) = 1768, the final R = 0.0749 and wR = 0.1580 for 5754 reflections with I > 2σ(I). The Ag atom is coordinated by two N atoms from two bpp molecules in an approximately linear geometry. The Ag(I) ions are linked by the bpp molecules to form one-dimensional zigzag chains propagating along the c axis. The Hphth- and nitrate counter-ions are bridged by solvent water molecules through hydrogen bonds to generate a one-dimensional chain extending along the b axis. Electrostatic interactions between cations and anions, extensive hydrogen bonds and π-π interactions are responsible for the three-dimensional supramolecular structure. In the solid state, the compound exhibits blue photoluminescence with the maximum at 436 nm upon excitation at 344 nm.     

Synthesis and Crystal Structure of a 2-D Hydrogen-bonded Supramolecular Network {[Cu_4(OH)_4(2,2'-bpy)_4(bqdc)]·2ClO_4}_n

The title compound {[Cu4(OH)4(2,2'-bpy)4(bqdc)]·2ClO4}n 1 (bqdc = 2,2'-biquino- line-4,4'-dicarboxylic acid) has been synthesized by hydrothermal method. Its crystal structure is of triclinic, space group P1 with a = 7.6561(5), b = 12.4652(8), c = 15.7501(10) , α = 80.0480(10), β = 87.7900(10), γ = 74.0800(1)o, V = 1423.65(16) 3, Z = 2, C30H23ClN5O8Cu2, Mr = 744.06, Dc = 1.736 g/cm3, μ = 1.651 mm─1, F(000) = 754, the final R = 0.0421 and wR = 0.1163 for 4973 observed reflections with I > 2σ(I). In 1, tetra-copper chair-like clusters of [Cu4(OH)4(2,2'-bpy)4]4+ are connected by bqdc ligands to form one-dimensional chains, which are further connected by hydrogen bonds to generate a two-dimensional supramolecular network .     

Synthesis and Characterization of a One-dimensional Chain Polymer{[Cu(4-CPOA)(3-PyOH)_2(H_2O)_2]·H_2O}_n

1 INTRODUCTION Molecular self-assembly of coordination architec- tures is a rapidly developing research area of supra- molecular chemistry in recent years[1～6]. 4-Carboxy- phenoxyacetic acid (4-CPOAH2) is a multidentate flexible and rigid ligand, which is capable of coor- dinating to metal centers in versatile binding fashi- ons and can also form regular hydrogen bonds as both hydrogen-bond donors and acceptors. To date, only Na(I), Ni(II), Mn(II) and Co(II) complexes con- taining…     

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 Two-dimensional Sil-ver(I)-Iron(III) Heteronuclear Coordination Polymer:{[Ag_4Fe_2(SCN)_(12)(H_2O)_2][(inaH)_2(H_2O)_2]}_n

Introduction Molecules containing different kinds of metal ions play an important role in molecular magnetism.1-3 So considerable attention has been paid to synthesizing heteronuclear complexes.1-4 As a potential bridging ligand, thiocyanate can coordinate to a harder metal center and softer ones with N and S atoms respectively. The complexes of thiocyanate and representative hard acidFe(III) ions usually have a six-coordinate octahe-dral structure such as [Fe(SCN)n]3-n and (Bu4N)4[Ag2-F…     

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

A one-dimensional chain coordination polymer [Cu（phen）（2,4,6-TMBA）2（H2O）]n has been synthesized by reacting 2,4,6-trimethyl-benzoic acid, 1,10-phenanthroline and Cu（Ⅱ） perchlorate and its structure was characterized. Crystal data for this complex： tetragonal, space group I41, a = 2.0293（3）, b = 2.0293（3）, c = 1.3758（2） nm, α =β= γ = 90°, V= 5.6657（13） nm3, Dc= 1.379 g/cm3, Z = 8, μ（MoKa） = 0.815 mm-1, Mr = 588.14, F（000） = 2456, S = 1.047, R = 0.0459 and wR = 0.1053. The crystal structure shows that two neighboring Cu（Ⅱ） ions are linked together by one bridging-chelating 2,4,6-trimethyl-benzoic group, forming a one-dimensional chain structure. Each Cu（Ⅱ） ion is coordinated with two nitrogen atoms from one 1,10-phenanthroline molecule, three oxygen atoms from three 2,4,6-trimethyl-benzoic acid molecules and one oxygen atom from one water molecule, giving a six-coordinate distorted octahedral coordination geometry. The cyclic voltammetry behavior of the complex was also investigated.     

{[Ag(ATO)_2]CIO_4}_n的制备和分子结构

通过4-氨基-1,2,4-三唑-5-酮(ATO)水溶液与高氨酸银溶液反应,制备了聚高氨酸二(4-氨基-1,2,4-三唑-5-酮)合银(Ⅰ).并用X射线衍射、红外光谱和TG-DTG对其进行了结构表征.晶体属三斜晶系,空间群为P1,a=0.7534(1)nm,b=0.8505(1)nm,c=1.0257(1)nm;α=69.47(1)°,β=72.69(1)°,γ=86.00(1)°;V=0.5872(1)nm~3,Z=2,D_c=2.305g/cm~3,F(000)=400;偏离因子R为0.0358.中心银离子表现为较为特殊的三配位.     

Synthesis and Crystal Structure of {[Mn(H_2O)_4(3,3''''-?azpy)](3, 3''''-azpy)_3(PF_6)_2}_n

1 INTRODUCTION During the past few years, many one-, two- and three-dimensional coordination polymers have been generated from transition metal templates with rigid and flexible pyridyl-containing bidentate or multidentate spacers[1, 2]. Although in the past few years, increasing interest has been given to the coordination polymer of 4, 4?azobispyridine[3, 4] and some 3, 3?azobispyridine complexes[5, 6] were repor- ted three decades ago, no crystal structure of 3, 3?azpy complex has been…     

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     

Synthesis and Crystal Structure of a Dicyanamide-bridged One-dimensional Gadolinium(III) Complex [Gd(dca)_3(phen)_2(H_2O)]_n

1 INTRODUCTION Dicyanamide is a versatile bridging ligand linking two or more metal ions with three nitrogen donor atoms[1～4]. The varieties of its coordination modes provide multifarious chances for designing new com- plexes with novel structures as well as interesting properties. Firstly, the complexes formulated as [M- (dca)2]n (M = Mn, Fe, Co, Ni, Cu, Cr)[5～9] mostly with 2D and 3D networks have been synthesized, and they usually exhibit high ordering temperatures. Afterwards, t…     

Crystal Structure of a Three-dimensional Coordination Polymer {[Ca_3(μ_5-OOCCH_2OCH_2COO)_3(H_2O)_4]·4H_2O}_n

A novel three-dimensional coordination polymer, {[Ca3(μ5-OOCCH2OCH2COO)3(H2O)4]- 4H2O}n, has been synthesized with oxydiacetate as bridge ligand and structurally determined by X-ray crystallography. The crystal belongs to monoclinic, space group C2/c with a = 17.805(2), b = 9.3923(12), c = 17.255(2) A, β = 107.838(5)°, V = 2746.8(6) A3, Mr = 660.58, C12H28Ca3O23, Dc = 1.597 g/cm3, μ = 0.695 mm-1, Z = 4, F(000) = 1376, GOOF = 1.027, R = 0.0303 and wR = 0.0660. In the complex there are two coordination modes for Ca(II) ions, one coordinated by three μ5-OOCCH2OCH2COO2- bridge ligands together with two H2O molecules, and the other by five μ-5-OOCCH2OCH2COO2 bridge ligands. In both coordination modes each Ca(II) ion assumes a distorted dipentapyramidal CaO7 geometry; whereas each oxydiacetate is coordinated with five Ca(II) ions and acts as a pentdentates bridge ligand.     

Synthesis and Crystal Structure of the Copper Complex {[Cu（CH3COO）2（bbtz）]（H2O）2}n

1 INTRODUCTION The design and synthesis of metal-organic frame- work structures have been extensively studied due to their unexpected properties for potential applications as functional materials as well as the intriguing ar- chitectures and topologies[1～4]. When rigid bifunc- tional ligands are used to connect metal centers, to- pology of the network is usually determined by the coordination geometry of the central metal prefer- ence. Contrary to rigid ligands, the bifunctional fle- xib…     

Synthesis and Crystal Structure of （Et4N）3[{V（o—C6H4OS）3}2Na]

ＳｙｎｔｈｅｓｉｓａｎｄＣｒｙｓｔａｌＳｔｒｕｃｔｕｒｅｏｆ（Ｅｔ_４Ｎ）_３［｛Ｖ（ｏ－Ｃ_６Ｈ_４ＯＳ）_３｝_２Ｎａ］￥ＷｅｎＴｉｎｇ－Ｂｉｎ；ＸｕＹｏｎｇ－Ｊｉｎ；ＳｈｉＪｉ－Ｃｈｅｎｇ；ＤｅｎｇＹｕ－Ｈｅｎｇ；ＣｈｅｎＣｈａｎｇ－Ｎｅｎｇ；Ｌｉｕ...     

Synthesis and Crystal Structure of a Three-dimensional Cd(II) Coordination Polymer [Cd(μ_(1,3)-SCN)(μ_3-pco)]_n(pco=Pyrazine-2-carboxylate 4-oxide Anion)

1 INTRODUCTION For a long time much research interest has been focused on coordination polymeric compounds[1] because these new coordination polymers may afford new materials with useful properties, such as catalytic activity, micro-porosity, electrical conduc- tivity, non-linear optical activity, magnetic coupling behavior and so on[2]. Thiocyanate anion is a very useful bridging ligand, and many complexes[3～5] are synthesized with it as bridging ligand and some of them exhibit interesti…     

(NO_2Ql)_2[Ni(mnt)_2]的合成和晶体结构((NO_2Ql)~ =1-(4-nitrobenzyl)-quilorinium;mnt~(2-)=maleonitriledithiolate)

合成了离子对配合物(NO2Ql)2犤Ni(mnt)2犦,并用元素分析和红外光谱进行了表征。单晶结构分析结果表明:三斜晶系,空间群P1珔。晶胞参数a=8.2240(16)?,b=10.777(2)?,c=12.137(2)?,α=72.58(3)°,β=72.82(3)°,γ=68.78(3)°,V=935.4(3)?3,Z=1。(NO2Ql) 和犤Ni(mnt)2犦2-分别形成了完全分立的柱状堆积结构。在阴离子堆积柱内,Ni?离子形成了一维均匀链。阳离子间,比邻的芳环间存在弱的π…π作用。     

{[(n-C_4H_9)_4N]_2Ag_(4.95)Cu(Ⅰ)_(1.05)I_8}_n聚合物的合成和晶体结构

标题化合物由AgI、CuI和(n-C4H9)4NI在DMF溶剂中直接反应而得。晶体结.构通过单晶X-射线衍射法确定,其晶体属于单斜晶系,空间群P21/c,a=9.4342(4),b=15.7638(7),c=18.877(1)??=100.65(1)?V=2758.9(2)3,化学式C32H72N2Ag4.95Cu1.05I8,Mr=2100.79,Dc=2.529g/cm3,Z=2,(MoK?=6.618cm-1,F(000)=1930。在1.70≤?≤27.46范围内收集到22473个衍射点,独立衍射点6175(Rint=0.0753),其中可观测衍射点4158个(I>2(I))。晶体结构用直接法和差傅立叶合成方法找出初步结构模型,再分别对Ag和Cu的坐标进行修正,最后用全矩阵最小二乘法对266个变量进行精修,最终偏离因子R=0.0476,wR=0.1315。标题化合物的结构由[(M6I8)-]阴离子链和链间的n-Bu4N+阳离子组成。     

Synthesis and Crystal Structure of [{Cd(hmbdc)(H_2O)_3}·2H_2O]_n

A novel coordination polymer [{Cd(hmbdc)(H2O)3}·2H2O]n (hmbdc = 5-hydroxy- isophthalic acid) has been synthesized and characterized by elemental analysis, IR spectra and single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group P21/c, with a = 9.599(3), b = 18.699(5), c = 7.557(2) , β = 108.198(4)°, V = 1288.6(6) 3, Z = 4, Mr = 382.60, Dc = 1.972 g/cm3, F(000) = 760, μ = 1.740, the final R = 0.0555 and wR = 0.0995 for 1732 observed reflections with I > 2σ(I). The structural analysis shows that the intermolecular hydrogen bonds and π-π interactions result in a three-dimensional supramolecular framework.     

Synthesis and Crystal Structure of Complex [Pb(qina)_2(DMSO)]·H_2O

A novel complex [Pb(qina)2(DMSO)]·H2O was synthesized,of which qina-is the quinaldic acid radical and DMSO the dimethyl sulfoxide. Elemental analysis,IR spectra,and X-ray single-crystal diffraction were carried out to determine the composition and crystal structure. This complex belongs to monoclinic system,space group P121/n1,with a=7.1553(17),b=17.543(2),c=17.306(2) ,β=91.671(4)°,C22H20N2O6PbS,Mr=647.65,Z=4,V=2171.5(6) 3,Dc=1.981 g/cm3,μ=7.908 mm-1,F(000)=1248,–9≤h≤6,–23≤k≤19,–22≤l≤22,R=0.0221 and wR= 0.0488. Weak coordinate bond is formed between oxygen atom in DMSO and Pb(Ⅱ ) . There are also weak interactions,such as π-π interaction,hydrogen bonds and so on,among the complex molecules.