Synthesis and Crystal Structure of Tetra（o-cyanobenzyl）tin

The tetra（o-cyanobenzyl）tin compound has been synthesized by the reaction of cyanobenzyl chloride with tin, and its molecular structure was characterized by elemental analysis, IR spectra, ^1H NMR and X-ray diffraction. Crystal data for this compound： monoclinic, space group C2/c, Mr = 583.24, a = 1.9629（2）, b = 1.05967（13）, c = 1.41249（18） nm, β= 118.180（2）^o, V = 2.5898（5） nm^3, Z = 4, Dc =1.496 g/cm^3, μ（MoKa） = 1.015 cm^-1, F（000） = 1176, R = 0.0189, wR = 0.0497 （observed reflections with I 〉 20（I）） and R = 0.0218, wR = 0.0513 （all reflections）. The molecular structure adopts a distorted tetrahedral geometry around the tin atom. The Sn＇＂N weak interaction between the Sn and N atoms of cyano forms an intermolecular H-bonding, and the bond length is 0.3570 nm; the interaction between hydrogen of methylene and benzene ring of benzyl forms C-H…C with its bond length of 0.2817 nm; and the interaction among hydrogen of benzene ring and carbon of cyano forms Ph-H…C bond （0.2897 nm） Of the σ…π interaction. A 3D chain structure is formed by the above weak intermolecular interactions.     

Synthesis and Crystal Structure of a Dinuclear Complex of Cu（II） with Tetra（3,5-diphenyl pyrazole）

A Cu(II) complex of tetra(3,5-diphenyl pyrazole) [Cu(C15H12N2)2Cl2]2 (1) was synthesized, and its structure was determined by single-crystal X-ray diffraction and further characterized by elemental analysis, NMR and IR. 1 belongs to the monoclinic system, space group P21/c with a = 13.3780(5), b = 15.1392(6), c = 15.5923(6) , β = 124.522(2)°, Z = 2 and V = 2601.86(17) 3. In 1, each Cu2+ ion is coordinated with two N atoms from two tetra(3,5-diphenyl pyrazole) ligands and three Cl- anions to give a distorted square-pyramidal geometry, which is further linked through edge-sharing bridging by Cl- anions to form a centrosymmetric dinuclear structure.     

铜(II)-锰(II)四核配合物的合成、晶体结构和磁性

(中国地质大学地质实验室, 北京100083) 报道了一个草酰胺桥连的四核Cu(II)Mn(II)配合物[Mn(CuL)3][Mn(H2O)6][N(CN)2]2(ClO4)2 4H2O (L为1,4,8,11-四氮杂环十四烷-2,3-二酮) (C34H74Cl2Cu3Mn2N18O24, Mr = 1490.51)的合成、晶体结构和磁性。配合物属于单斜晶系, 空间群为C2/c, 晶胞参数如下:a = 22.295(5), b = 12.852(3), c = 20.109(4) , = 90.47(3), V = 5762(2) 3, Dc = 1.718 g/m3, Z = 4, F(000) = 3068, m = 1.701mm-1, R = 0.0915, wR = 0.1810 (based on F2)。3个中性Cu(II)大环配合物通过6个氧原子与Mn(II)配位, MnO键长范围为2.190(6)~2.208(5) 拧Mn(CuL)3]2+通过高氯酸根离子连接起来形成一个二维层。高氯酸根的氧原子与CuII键长范围为2.902~2.996 , 为弱相互作用。[Mn(H2O)6]2+, N(CN)2-和H2O位于层间, 并通过氢键连成三维网络结构。磁性研究表明CuII-MnII离子间通过草酰胺传递反铁磁相互作用, 用基于各向同性的Hamiltonian算符 = 2JMnCuMn(Cu1 + Cu2 + Cu3)进行磁性拟合得到磁耦合常数JCuMn =-17 cm-1。     

Synthesis and Crystal Structure of Tetra（diisopropylamido—N）ytterbium Mono（tetrahydrofuran—O）lithium

1 INTRODUCTION The lanthanide amide complexes are excellent synthetic precursors for lanthanide derivatives, par- ticularly in the reactions involving protonic rea- gents[1]. A few types of lanthanide amide complexes, from homoleptic three- to four-coordinate, have been known for some time[2～4]. Recently, we begin to examine the utility of amide with less steric bulk, such as diphenylamide and diisopropyamide, as li- gands to synthesize homoleptic lanthanide amide complexes. For diphen…     

Synthesis, Crystal Structure and Magnetic Properties of a New Zn(II)-Nitronyl Nitroxide Complex

A new complex [Zn(NIT-1'-MeBzIm)Cl2(H2O)] (NIT-1'-MeBzIm = 2-{2'-[(l'- methyl)benzimidazolyl]}-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide) has been prepared and structurally characterized by X-ray diffraction method. Crystal data: monoclinic, space group P21/n, Z = 4, C15H21Cl2N4O3Zn, Mr = 441.63, a = 7.2225(10), b = 30.849(4), c = 8.8758(13) , β = 103.904(2)°, V = 1919.6(5) 3, Dc = 1.528 g/cm3, μ(MoKα) = 1.579 mm1, F(000) = 908, R = 0.0436 and wR = 0.1029 for 2456 observed reflections with I > 2σ(I). X-ray analysis reveals that the Zn(II) ion is four-coordinated with a distorted tetrahedron. There also exist H-bonds, π-π piling interactions and weak intermolecular contacts between the NO groups which form a mutual stagger 3-D network configuration. Magnetic investigation reveals that there exists intermolecular antiferro- and ferromagnetic interactions in the title complex.     

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

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Synthesis, Crystal Structure and Kinetic Mechanism of Thermal Decomposition of a Zinc(II) Complex with N-Salicylidene-p-toluidine

1 INTRODUCTION Over the past decades, considerable attention has been devoted to the synthesis, characterization and property studies of Schiff bases and their com- plexes because of their potential and developed appli- cations in the fields of conducting and magnetic ma- terials, dyes, non-linear optics, catalysis, analytical chemistry, biochemical research, agriculture and so on[1～7]. A large number of reports are available in the chemistry and biologic activities of transition metal co…     

Structure,Luminescent Sensing and Proton Conduction of a Boiling-Water-Stable Zn(II) Metal-Organic Framework

A novel Zn(II) metal-organic framework [Zn₄O(C₃₀H₁₂F₄O₄S₈)₃]_n, namely ZnBPD-4F4TS, has been constructed from a fluoro- and thiophenethio-functionalized ligand 2,2′,5,5′-tetrafluoro-3,3′,6,6′-tetrakis(2-thiophenethio)-4,4′-biphenyl dicarboxylic acid (H₂BPD-4F4TS). ZnBPD-4F4TS shows a broad green emission around 520 nm in solid state luminescence, with a Commission International De L’Eclairage (CIE) coordinate at x = 0.264, y = 0.403. Since d¹⁰-configured Zn(II) is electrochemically inert, its photoluminescence is likely ascribed to ligand-based luminescence which originates from the well-conjugated system of phenyl and thiophenethio moieties. Its luminescent intensities diminish to different extents when exposed to various metal ions, indicating its potential as an optical sensor for detecting metal ion species. Furthermore, ZnBPD-4F4TS and its NH₄Br-loaded composite, NH₄Br@ZnBPD-4F4TS, were used for proton conduction measurements in different relative humidity (RH) levels and temperatures. Original ZnBPD-4F4TS shows a low proton conductivity of 9.47 × 10⁻¹⁰ S cm⁻¹ while NH₄Br@ZnBPD-4F4TS shows a more than 25,000-fold enhanced value of 2.38 × 10⁻⁵ S cm⁻¹ at 40 °C and 90% RH. Both of the proton transport processes in ZnBPD-4F4TS and NH₄Br@ZnBPD-4F4TS belong to the Grotthuss mechanism with E_a = 0.40 and 0.32 eV, respectively.     

Hydrothermal Synthesis,Crystal Structure and Characterizations of Two New Manganese(II) Phosphonates with a 3D Framework Structure

Two new manganese(II) phosphonates, (NH₄)Mn_2.5[(O₃PCH(OH)CO₂)₂(H₂O)] ( 1 ) and [NH₃(CH₂)₄NH₃]_0.5Mn_2.5[(O₃PCH(OH)CO₂)₂(H₂O)] ( 2 ) have been synthesized under hydrothermal conditions and structurally characterized by single‐crystal X‐ray diffraction as well as with infrared spectroscopy, elemental analysis and thermogravimetric analysis. The two isomorphous compounds feature a 3D framework structure. The Mn(1)O₆ and Mn(3)O₅ polyhedra are bridged by the CPO₃ tetraheda into a Mn^II phosphonate layer in ac‐plane. Mn(2)O₆ polyhedra are linked to each other by CPO₃ tetraheda to form infinite chains, which are connected to layers by carboxylate groups to form a 3D framework structure with channels along the a‐ and c‐axis, respectively. The NH₄⁺ ions or protonated 1, 4‐butylenediamine cations are located inside the channels along the a axis.     

四(对氯苄基)锡的合成、结构和量子化学研究

The tetra(p-chlorobenzyl)tin has been synthesized via reaction of p-chlorobenzyl chloride with Sn and struc-turally determined by X-ray diffraction method. The crystal belongs to orthorhombic space group Fdd2 with a=2.1243(6), b=2.2136(6), c=1.1242(3)nm,V=5.286(2)nm³, Z=8, D_x=1.560Mg·m^-3, μ(MoKα)=13.86cm^-1,F(000)=2480,find R=0.0331 for 2191 unique reflection [I >2σ(I)]. The bond lengths of Sn-C is 0.2167,0.2183nm,respectively.The tin atom has a distorted tetrahedral geometry. The study on title compound has been performed,with ab initio calculation by means of G98W package and taking Lanl2dz basis set.The sta-bilities of the compound,some frontier molecular orbital energies,the populations of the atomic net charges in compound and composition characteristics of some frontier molecular orbitals have been investigated. CCDC:180868.     

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.     

Synthesis and Crystal Structure of Tetra（（8-quinolyl）-amido-N）ytterbium Bi（tetrahydrofuran-O）lithium

The treatment of the mixture of n-BuLi with 1 equiv.8-aminoquinoline in THF in situ,which reacted further with 1/3 equiv.of YbCl3 in THF,to give the homoleptic lanthanide amide ate complex Yb(NH-C9H6N)4Li(C4H8O)2(1).The crystal structure was determined by X-ray diffraction and the following crystallographic data were obtained:C44H44N8O2YbLi,Mr = 896.85,monoclinic,space group C2/c,a = 7.8384(16),b = 22.294(5),c = 22.668(5),β = 97.614(5)°,V = 3926.3(14)3,Z = 4,Dc = 1.517 g/cm3,F(000)= 1812,μ(MoKα)= 2.431 mm-1,R = 0.0542 and wR = 0.1523 for 3372 observed reflections with I > 2σ(I).The structure of molecule 1 consists of one ytterbium atom,one lithium atom,four 8-aminoquinoline ligands and two THF molecules.The ytterbium atom is coordinated by eight nitrogen atoms of four 8-aminoquinoline ligands,forming a distorted dodecahedral geometry.     

双核Cu(Ⅱ)—牛磺酸缩水杨醛席夫碱配合物的合成、晶体结构及生物活性

合成了双核铜配合物[Cu(TSSB)(H2O)]2.2H2O(TSSB=牛磺酸缩水杨醛席夫碱） ，通过元素分析，红外光谱对配合物进行了表征，并利用X射线法测定其结果，晶 体属三斜晶系，空间群P1，其晶胞参数为：a=0.69613(19)nm,b=0.9307(3)nm,c=1. 0439(3)nm;a=108.796(5)°,β=101.271(5)°,γ=105.617(5)°,V=0.5869(3) nm^3,Z=1,Dcald=1.849g/cm^3,μ=2.058nm^-1,F(000)=334，Gof=1.079,Δρ=379- 406e.nm^-3，两个铜原子配位数各为五，处于变形四方锥的配位环境中，并对配合 物进行了的生物活性试验，结果表明，配合物抗菌活性与青霉素接近，肿瘤抑制率 达63、5，半数臻死量为1000mg/kg,有可能成为一种新的抗菌、抗肿瘤药物。     

Synthesis and Crystal Structure of a New Copper(II) Complex with 4-Cyanobenzoic Acid

1 INTRODUCTION Exploration on the syntheses and properties of car- boxylate complexes, especially aromatic carboxylate complexes, has always been a fascinating and chal- lenging research field for decades either in coor- dination chemistry or in functional materials[1, 2]. Cy- anobenzoic acid (Hcba) possessing two functional coordination groups should display structural diver- sities on the formation of complexes[3～15]. In particu- lar, the copper(II) carboxylate complexes bearing spe- …     

双核Cu(II)-牛磺酸缩水杨醛席夫碱配合物的合成、晶体结构及生物活性

合成了双核铜配合物 [Cu(TSSB) (H2 O) ] 2 ·2H2 O (TSSB =牛磺酸缩水杨醛席夫碱 ) ,通过元素分析、红外光谱对配合物进行了表征 ,并利用X射线法测定其结构 .晶体属三斜晶系 ,空间群P1- ,其晶胞参数为 :a =0 .69613 ( 19)nm ,b =0 .93 0 7( 3 )nm ,c=1.0 43 9( 3 )nm ;α =10 8.796( 5 )° ,β =10 1.2 71( 5 )° ,γ =10 5 .617( 5 )° ,V =0 .5 869( 3 )nm3 ,Z =1,Dcald=1.849g/cm3 ,μ =2 .0 5 8mm-1,F( 0 0 0 ) =3 3 4,Gof =1.0 79,Δρ =3 79～ -4 0 6e·nm-3 .两个铜原子配位数各为五 ,处于变形四方锥的配位环境中 .并对配合物进行了的生物活性试验 ,结果表明 ,配合物抗菌活性与青霉素接近 ,肿瘤抑制率达 63 .5 % .半数致死量为 10 0 0mg/kg .有可能成为一种新的抗菌、抗肿瘤药物     

Synthesis,Crystal Structure and Magnetic Property of a New Binuclear Copper (II) Complex Containing Water Clusters

A new binuclear copper (II) complex {[Cu₂(phen)₂(tar)(H₂O)]·8H₂O}_n (1) has been synthesized and structurally characterized by single-crystal X-ray diffraction analysis. The complex crystallizes in monoclinic system, space group P2(1), with a = 7.1710(5), b = 22.0124(15), c = 10.6691(7) Å, β = 102.541(1)°, V = 1643.95(19) Å³, Z = 2. Compound 1 is further extended to a 2D supramolecular framework by hydrogen bonds and π–π stacking interactions. Especially, six of the eight uncoordinated water molecules are connected via hydrogen bonding interactions forming 1D chain, which play an important role in the stabilization of the crystal structure. Furthermore, magnetic susceptibility measurements of this complex shows weak antiferromagnetic exchange between the copper (II) ions (J = ?5.92 cm^?1).     

Crystal Structure of Iron(II) Acetate

In this paper the X‐ray structure and magnetic properties of iron(II) acetate – starting material for the synthesis of a wide range of iron complexes – are presented. The compound crystallises in the space group Pbcn and was identified as 2D coordination polymer consisting of iron atoms and acetate moieties with all the iron atoms hexacoordinate and different coordination modes for the acetate moieties. Additional hydrogen bond contacts lead to a porous coordination polymer with 1D channels in the size of mesopores. Temperature dependent magnetic measurements confirm that the complex is a high‐spin compound in the entire temperature range investigated with a room temperature magnetic moment of 5.4 μ_B. Field‐dependent magnetisation measurements reveal a slightly sigmoidal curve progression typical for metamagnetism.     

Synthesis, Crystal Structure and Antimicrobial Activity of a Novel Ni(II) Complex

A new nickel(II) complex, C34H38N8NiO4, has been prepared and charac- terized by X-ray diffraction analysis. It crystallizes in the monoclinic system, space group P21/c with a = 11.715(5), b = 12.328(5), c =11.113(5) , β = 92.589(5)°, Z = 2, Dc = 1.411 g/cm3, μ = 0.658 mm-1, the final R = 0.0427 and wR = 0.1099 for 2229 observed reflections with I > 2σ(I). The complex is a centrosymmetric plane in which nickel(II) is coordinated in a regular octahedron to the ligand phenytoin through the nitrogen atoms of ethylenediamine, imine and amine. The complex was valued for its antimicrobial activity against bacterial strands using the agar diffusion method, and found to be active against the four test bacterial organisms. Preliminary screening for antimicrobial activities showed that the title complex is quite active against standard strains of Salmonella species, Staphylococcus aureus, Bacillus pumilus and Eschierichia coli.     

Synthesis and Crystal Structure of Dinitratotetra(hexamethylphosphoric Triamide)-Lanthanum(III)Tetra(Isothiocyanato)Diammine Chromate(III)

A new coordination compound having the formula [La(HMPA)₄(NO₃)₂][Cr(NH₃)₂(NCS)₄] (I), where HMPA is ((CH₃)₂N)₃PO, has been synthesized and studied by X-ray diffraction. Studied crystals of compound I are monoclinic, space group P2₁/n, a = 15.0360(3) Å, b = 15.1214(3) Å, c = 26.7529(7) Å, β = 100.6610(10)°, V = 5977.7(9) Å3, Z = 2, ρ_calc = 1.442 g/cm³, and R₁ = 0.0453 for 7344 reflections with F_o ≥ 4σ(F_o).