Synthesis and Molecular Structure of Binuclear Tin（Ⅳ）Complex Bridged by Terephthalate Anion

The title complex [Ph₃Sn(CH₃OH) (terephthalate) (CH₃OH) SnPh₃]·2CH₃OH was synthesized by the reaction of Ph₃SnCl with terephthalate in the molar ratio of 2:1 in methanol solution and characterized by elemental analysis, IR and ¹H NMR spectra, and the crystal structure was determined by X‐ray single crystal diffraction study. The crystal belongs to monoclinic with space group P2₁/n, a = 1.5199(5) nm, b = 0.9000(3) nm, c = 1.8206(6) nm, β= 113.970(5)°, Z = 2, V = 2.2755 (13) nm³, D_c= 1.413 g/cm³, μ = 1.146 mm^?1, F(000) = 980, R =0.0353, wR = 0.0606. In the crystals of complex, the tin atoms rendered five‐coordinate in a distorted trigonal bipyramidal structure.     

Synthesis and Molecular Structure of Binuclear Tin(IV) Complex Bridged by Terephthalate Anion

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新型桥连双锌配合物的合成和结构

合成了二(2-苯并咪唑亚甲基)胺及其副产物[2，5-二(苯并咪唑亚甲基)环二肽 ]的混合配体与助Zn(Ⅱ)的双核超氧化物歧化酶模型化合物．进行了元素分析、紫 外和红外表征；对配合物采用X射线衍射方法测定了晶体结构，并采用G94W程序对 副产物[2，5—二(苯并咪唑亚甲基)环二肽]进行了量子化学计算．     

三(对氰基苄基)氯化锡的合成及晶体结构研究

苄基锡化合物因其具有丰富的反应性、结构特征及抗癌活性而引起人们的兴趣,最近我们合成了一系列的卤代苄基锡化合物,并报导了它们的晶体结构。在研究中我们发现苯环上连有的取     

Formation, Structure and In Vitro Antitumour Activity of a Novel Binuclear Organotin Complex

A 1：1 reaction of triphenyltin chloride with potassium N-[（3,5-dibromo-2-hydroxylphenyl）methylene]valinate in benzene led to the formation of a novel mixed organotin dinuclear complex, （HL）SnPh3oPh2SnL [L=2-O-3,5-Br2C6H3CH=NCH（i-Pr）COO], by means of a facile phenyl-tin bond cleavage process. In the complex, there are two distinct types of carboxylate moieties and a trans-O2SnC2N and a trans-O2SnC3 in distorted trigonal bipyramidal geometries were bridged by a carboxylate group. In vitro antitumor activity of the complex against three human tumour cell lines （HeLa, CoLo205 and MCF-7） was found to be much higher than cis-platin used in clinic.     

Preparation and Molecular Structure of Binuclear Nickel (I) Complex Bridged by 1,2,4, 5‐Benzenetetracarboxylato Tetravalent Anion

The title complex [(H₂O)₂(IMI)₃Ni(TCB)Ni(IMI)₃‐(H₂O)₂] H₂O (TCB = 1,2,4,5‐benzenetetracarboxylato te‐travalent anion; IMI = imidazole) has been prepared by the reaction of Ni(IMI)₃(Ac)₂ and TCB in aqueous solution. The crystal structure has been determined by single‐crystal X‐ray diffraction method. It crystallizes in the monoclinic system, space group P2₁/c(# 14), a = 1.2714(4) nm, b = 0.9411 (3) nm, c = 1.5869(4) nm, β= 108.54(2)°, V= 1.8001(9) nm³, Z = 2. The main feature of the crystal structure is a symmetric binuclear unit made up of two slightly distorted coordination octahedrons, which are bridged by TCB in monodentate fashion to each metal ion. Moreover three nitrogen atoms from three imidazoles, three oxygen atoms from two water molecules and one carboxylate group of TCB coordinated to a nickel (I) ion are found on a face of the octahedron respectively, so the octahedron is a facial isomer.     

Synthesis and Crystal Structure of a Binuclear Gadolinium(III) Complex Bridged by Cucurbit[6]uril

Cucurbit[6]uril (Q6, Figure 1) is a macrocyclic ligand with interesting complexing properties. In contrast to other macrocyclic ligands, such as crown ethers, cryptands or calixarenes, this ligand has a rigid structure offering a hollow core of about 5.5 …     

Synthesis and Crystal Structure of Tetra Benzoates Bridged Binuclear Sm(III) Complex

１ＩＮＴＲＯＤＵＣＴＩＯＮＩｔｉｓｗｅｌｋｎｏｗｎｔｈａｔｌａｎｔｈａｎｉｄｅｅｌｅｍｅｎｔｓｔｅｎｄｔｏｂｅｃｏｏｒｄｉｎａｔｅｄｗｉｔｈｐｏｌｙｃａｒ ｂｏｘｙ ｏｒｍａｃｒｏｃｙｃｌｉｃ ｃｏｎｔａｉｎｉｎｇｓｐｅｃｉｅｓｔｏｆｏｒｍｐｏｌｙｎ...     

三(邻溴苄基)溴化锡和四(对溴苄基)锡的合成及结构研究

邻溴苄基溴或对溴苄基溴与锡反应合成三(邻溴苄基)溴化锡(1)和四(对溴苄基)锡(2).经X射线方法测定了新化合物的晶体结构.晶体结构1属斜方六面体晶系,空间群为R-3,晶体学参数:a=1.3389(3) nm, b=1.3389(3) nm, c=2.1896(8) nm, V=3.3993(16) nm3, Z=6, Dx=2.077 Mg·m-3, μ(Mo Kα)=81.83 cm-1, F(000)=2004, R1=0.0477, wR2=0.1372;晶体结构2属正交晶系,空间群为Fdd2,晶体学参数:a=2.1027(7) nm, b=2.3034(8) nm, c=1.1431(4) nm, V=5. 536(3) nm3, Z=8, Dx=1.917 Mg·m-3, μ(Mo Kα)=67.11 cm-1, F(000)=3056, R1=0.0358, wR2=0.0659.化合物1中Sn-C键长为0.2160(8) nm, Sn-Br键长为0.2491(3) nm;化合物2中Sn-C键长分别为0.2175和0.2178 nm.中心锡与亚甲基碳(或溴)原子构成畸型四面体.     

苯丙烯酸桥联的双核镉配合物[Cd(cinnamato)2(Phen)]2的水热合成和晶体结构

A cadmium complex [Cd(cinnamato)₂(Phen)]₂ was synthesized by the reaction of cinnamic acid, phenanth-roline (phen), and Cd(ClO₄)₂·6H₂O. It crystallizes in triclinic, space group P1, with a=1.142 1(13) nm, b=1.157 6(13) nm, c=2.106 1(2) nm, α=80.307(2)°, β=77.334(2)°, γ=71.630(2)°, V=2.563 4(5) nm³, D_c=1.521 g·cm^-3, Z=2, M_r=586.90, μ=0.891 mm^-1, F(000)=1 184, the final R=0.031 7, wR=0.067 5. The crystal structure shows that the cadmium ion is coordinated with two nitrogen atoms from one phen molecule and five oxygen atoms respectively from three cinnamic acids, giving a pentagonal bipyramid coordination geometry. CCDC: 687380.     

三(邻氯苄基)锡3-吲哚乙酸酯的合成和结构研究

μ-氧-双[三(邻氯苄基)锡]与3-吲哚乙酸反应合成三(邻氯苄基)锡3-吲哚乙酸酯,经X射线衍射方法测定了新化合物的晶体结构.配合物属三斜晶系,空间群为P-1,晶体学参数:a=0.8376(3)nm,b=1.1118(3)nm,c=1.6557(5)nm,α=102.747(5)°,β=101.238(5)°,γ=107.683(5)°,V=1.4382(8)nm3,Z=2,Dc=1.549g/cm3,μ(Mo Ka)=11.96cm-1,F(000)=674,R1= 0.0369,Rw=0.0785;在配合物中Sn-C键长分别为0.2143(4),0.2153(4)和0.2161(4)um,Sn-O键为0.2072(3)nm.中心锡与亚甲基碳和氧原子构成畸型四面体.     

二(对氯苄基)锡双吗啉氨荒酸酯和二(对氯苄基)氯化锡N,N-二乙基氨荒酸酯的合成、表征及晶体结构

利用二(对氯苄基)二氯化锡和吗啉氨荒酸钠、N,N-二乙基氨荒酸钠反应,合成了二(对氯苄基)锡双吗啉氨荒酸酯C24H28Cl2N2O2S4Sn (Mr = 694.31) 1和二(对氯苄基)氯化锡N,N-二乙基氨荒酸酯C19H22Cl3NS2Sn (Mr = 553.54) 2。用X-射线单晶衍射测定了这2个化合物的晶体结构,测试结果表明:化合物1的晶体为单斜晶系,空间群C2/c, a = 21.998(9), b = 6.469(3), c = 20.204(8) ,β= 94.444(6)o , Z = 4, V = 2866.3(19) 3, Dc = 1.609 g/cm3, μ(MoKα) = 1.394 mm-1, F(000) = 1400,S = 0.955, (?)max = 0.000,R = 0.0389, wR = 0.0817。化合物2的晶体为单斜晶系,空间群P21/c, a = 13.088(10), b = 9.304(7), c = 19.593(14) ,β = 107.158(10)o, Z = 4, V = 2280(3) 3, Dc = 1.613 g/cm3,μ(MoKα) = 1.660 mm-1, F(000) = 1104,S = 1.010, (?)max = 0.001,R = 0.0290, wR = 0.0651。在化合物1中,锡原子呈六配位畸变八面体构型, 化合物2的锡原子则是五配位畸变三角双锥构型。     

Synthesis and Crystal Structure of Binuclear Oxomolybdenum(VI) Complex with Both o-Mercaptophenolate

1INTRoDUCTIONMolybdenumintheVandVIoxidationstatesformsaconsiderablenumberofoxocomplexes.Someofthemareactivecatalystsfortheoxidationoforganicsub-stracts[li'Allthesefactshavewidelyarousedchemists'interest.lnordertoobservetheeffectofthedonorgroupsonthedegreeofcomplexaggregationandonthecoor-dinationgeometry,thetitlecompoundwaspreparedbythereactionof(n-Bu'N)'-[Mo,O,,jwitho-mercaptophenolandthesinglecrystalswereobtained.Itcontainsa[Mo,O,j' core.Somereleventreportscanbefoundinthepreviousliter…     

三(邻氯苄基)氯化锡的合成、结构和量子化学研究

邻氯苄基氯与锡反应合成三(邻氯苄基)氯化锡，经x射线方法测定了新化合物 的晶体结构，化合物属三方晶系，空间群为R-3，晶体学参数：α=b=1．3583(4) mn，c=2．1147(8)am，v=3．3790(19)nm~3，Z=6，μ(Mo kα)=16．11cm~-1， r (000)：1572，R_1=O．0755；Sn-C键长分别为0．2148(13)和0．220(2)nm，Sn-C1 键为0．2528(15)和0．2477(13)Bill．中心锡原子与亚甲基碳和氯原子构成畸型四 面体．并对其结构进行量子化学从头计算，探讨化合物的稳定性、分子轨道能量、 原子净电荷布居规律以及一些前沿分子轨道的组成特征．     

Synthesis and Crystal Structure of a New One-dimensional Zn(II) Nitronyl Nitroxide Complex Bridged by Pyridine-2,4-dicarboxylate Anion

1 INTRODUCTION The synthesis and study of transition metal com- pounds incorporating organic free radicals directly bound to their coordination sphere are a major re- search aim in the field of molecular magnetism[1]. Exceptional stability, ease of chemical modification and versatility in their coordination properties have made nitroxide free radicals one of the most attrac- tive spin carriers for the design of molecular magne- tic materials[2, 3]. The structures and magnetic prope- rties …     

两个有机锡杂环羧酸酯配合物的合成、结构及抗癌活性

合成了2个有机锡杂环羧酸酯配合物：二（邻溴苄基）锡二（2-吡啶甲酸）酯（1）和三（2-甲基-2-苯基丙基）锡3-吲哚丁酸酯（2）。通过元素分析、红外光谱、核磁共振谱（¹H、¹³C和¹¹⁹Sn）、X射线衍射、热重分析进行了表征,用X射线单晶衍射方法测定了配合物的晶体结构,进行了配合物的结构量子化学从头计算和体外抗癌活性研究。结果显示：配合物均为单锡核分子,锡原子分别为六配位的畸变八面体构型和四配位的畸变四面体构型;配合物对人肝癌细胞（HUH7）、人肺癌细胞（A549）、人表皮癌细胞（A431）、人结肠癌细胞（HCT-116）和乳腺癌细胞（MDA-MB-231）的抑制活性均比临床使用的顺铂强。     

μ-氧-双[三(邻溴苄基)锡]的合成和结构研究

The tri(o-bromobenzyl)tin bromide was treated with aqueous solution of NaOH to formed the μ-oxygen-bis[tri(o-bromobenzyl)tin]. The crystal structures of compound was determined by X-ray diffraction. The crystal belongs to triclinic, space group with a=1.0544(4) nm, b=1.1029 (4) nm, c=1.1309 (4) nm, α =117.031(5) °, β=107.685 (6) °, γ=98.523(6) °, V=1.0506(6)nm³, Z=1, D_x=2.013g·cm^-3, μ(MoKα)=69.25cm^-1, F(000)=606, R₁=0.0524, wR₂=0.1196. In the struture the tin atom has a distorted tetrahedral geometry. CCDC: 220514.     

含吡嗪甲酸配体的双核铬配合物的水热合成、晶体结构及荧光性质

通过水热法合成了1个双核铬配合物[Cr2(OH)2(2-pca)4].3H2O(2-Hpca=2-吡嗪甲酸),并对其进行了X-射线单晶衍射、红外光谱、元素分析、荧光和热的表征及研究。该配合物属于单斜晶系,P21/c空间群。晶体学数据:a=1.566 35(15),b=0.847 70(6),c=1.974 60(18)nm,β=90.645 0(10)°,C20H20Cr2N8O13,Mr=684.44,V=2.621 7(4)nm3,Dc=1.734 g.cm-3,F(000)=1 392,μ=0.913 cm-1,Z=4,最终R=0.044 7,wR=0.112 0用于3 251个可观测点。在晶体结构中,每个铬原子均为六配位,其中来自两分子2-吡嗪甲酸的2个氮原子、2个羧酸基氧原子和2个桥连羟基上的氧原子,呈现畸变的八面体几何构型。     

三(邻氟苄基）氯化锡和四(对氟苄基）锡的合成及结构研究

邻氟苄基氯或对氟苄基氯分别与锡反应合成三(邻氟苄基)氯化锡(1)和四(对氟 苄基)锡(2)．经X射线方法测定了新化合物的晶体结构．晶体结构1属单斜晶系，空 间群为P2(1)／n，晶体学参数：a＝0.5896(9)nm,b-1.262(2)nm,c=2.634(4)nm, V=1.959(5)nm^3,Z=4,Dx=1.632g/cm^3,μ（Mo Kα)=14.69cm^-1,F(000)=952, R1=0.0541,wR2=0.1280;晶体结构2属单余晶系，空间群为Cc,晶体学参数：α=1. 0778(6)nm,b=2.3312(14)nm,c=1.0888(7)nm,V=2.460(3)nm^3,Z=4,Dx=1. 499g/cm^2,μ(Mo Kα)=10.82cm^-1,F(000)=1112,R1=0.0302,wR2=0.0590.在化合 物1和2中Sn-C键长分别为0.2136-0.2148和0.2138-0.2180nm,Sn-Cl键长为0.2378 (4)nm,中心锡与亚甲基碳（氯）原子构成畸型四面体。