Synthesis and Crystal Structure of an Unusual Dodecacoordinated Lanthanum Complex by Phenanthroline and Nitrate （phenH）_2[La（NO_3）_5（phen）]·CH_3OH

Lanthanum complex (phenH)2[La(NO3)5(phen)]·CH3OH (1, phen=phenanthroline) was synthesized and characterized by single-crystal X-ray diffraction. The title compound crystallizes in the monoclinic system, space group P21/c with a=20.3040(3), b=10.7091(1), c=19.0771(2), β=102.090(1)°, V=4056.07(8)3, Z=4, Dc=1.676 g/cm3, μ= 1.142 mm-1, F(000)=2056, the final R=0.0346 and wR=0.0793 for 9981 (Rint=0.0358) independent reflections. The mononuclear complex 1 consists of four parts: two phenH+ cations formed by the protonation of phen, one complex anion [La(NO3)5(phen)]2-, and one solvent methanol molecule. The complex anion contains one phen and five nitrate ligands which both chelate the center La(III) ion, adopting a distorted twelve-coordinated icosahedral geometry. The cations, anion and solvent molecule are linked together by hydrogen bonds. One of the protonated phenanthrolines (phenH+) acting as cation connects to the anion via N–H…O hydrogen bond directly, and the other one links to the anion through an intermediate solvent CH3OH via N–H…O and O–H…O hydrogen bonds. By the plentiful additional weak C–H…O intermolecular hydrogen bonds, the compound molecules construct a two-dimensional layer structure.     

Crystal Structure and Ethylene Oligomerization Catalytic Activity of {2-Carbethoxy-6-[1-[（2,6-diethylphenyl）imino]ethyl]pyridine}CoCl2

The unsymmetric precursor ethyl 6-acetylpyridine-2-carboxylate （4） was synthesized from 2,6-dimethylpyridine （1）. On the basis of this precursor, a new mono（imino）pyridine ligand （5） and the corresponding Co（Ⅱ） complex {2-carbethoxy-6-[1-[（2,6-diethylphenyl）imino]ethyl]pyridine}CoCl2 （6） were prepared. The crystal structure of complex indicates that the 2-carbethoxy-6-iminopyridine is coordinated to the cobalt as a tridentate ligand using [N, N, O] atoms, and the coordination geometry of the central cobalt is a distorted trigonal bipyramid, with the pyridyl nitrogen atom and the two chlorine atoms forming the equatorial plane. Being applied to the ethylene oligomedzation, this cobalt complex shows catalytic activity of 1.820× 10^4 g/mol-Cooh at 101325 Pa of ethylene at 15.5℃ for 1 h, when 1000 equiv, of methylaluminoxane （MAO） is employed as the cocatalyst.     

Synthesis and Crystal Structure of a 2-D Framework Supramolecular Complex [Cd2（phen）2（adip）（NO3）2]

1 INTRODUCTION In the design of crystal molecule, inorganic crystal engineering is one of the focused fields that are ever developing[1]. The introduction of different metal ions and bridging ligands often gives rise to novel physical and chemical properties[2~4]. Conse- quently, the supramolecular compounds constructed from weak interactions, such as hydrogen bond, π-π stacking, C–H???O interaction, ion-π interaction and hy- drophobing interaction, have become the new focus of cryst…     

Synthesis,Crystal Structure and Quantum Chemistry of the Complex [Cu（p-FBA）_2（phen）（H_2O）]

A novel metal-organic complex Cu(p-FBA)2(phen)(H2O) (p-FBA = p-fluorobenzoic acid,phen = 1,10-phenanthroline) has been synthesized and structurally characterized by X-ray single-crystal diffraction,elemental analysis and IR spectra. The crystal belongs to triclinic,space group P1 with a = 7.8043(7),b = 10.4069(9),c = 14.3658(13) ,α = 105.3170(10),β = 96.877(2),γ = 96.7580(10)o,V = 1103.56(17) 3,Mr = 539.96,Z = 2,Dc = 1.625 g/cm3,μ = 1.050 mm-1,F(000) = 550,the final R = 0.0324 and wR = 0.0952. In the crystal,the structure consists of discrete molecules containing a five-coordinate copper(Ⅱ ) in a distorted square pyramidal configuration. Intramolecular O-H···O hydrogen bonds,weak intermolecular C-H···O hydrogen bonds and π-π stacking link the molecules into a one-dimensional chain structure. The study on the title complex has been performed with quantum chemistry calculation by means of G03W package on the Lanl2dz basis set. The stabilities of the complex together with the orbital energies and composition characteristics of some frontier molecular orbitals have been investigated.     

Synthesis and Crystal Structure of a New Complex [CuL（Phen）].NO3

1 INTRODUCTION The functions of transition metals present in the active sites of metalloproteins range from stabilizing the protein structure, affecting the enzymatic activity to controlling the cell metabolism[1]. Copper con- tained metalloproteins are quite widespread, with copper exhibiting various coordination numbers and geometries[2, 3]. Characterization of the model copper complexes mimicking copper-proteins has led to the better understanding of the chemistry of copper in biologic…     

Synthesis,Crystal Structure and Characterization of a Cobalt Coordination Polymer： [Co（suc）（L）]n

The title complex, [Co（suc）（L）], 1 （L = 2-phenyl-lH-1,3,7,8-tetraazacyclopenta- [1]phenanthrene and H2suc = succinic acid） has been hydrothermally obtained and characterized by elemental analysis, IR, TG and single-crystal X-ray diffraction. It crystallizes in orthorhombic, space group Pcca with a = 13.936（3）, b = 9.918（2）, c = 28.670（6）A, V = 3962.4（14）A^3, Z = 8, CoC23H16N4O4, Mr = 471.33, Dc = 1.580 g/cm^3, F（000） = 1928,μ（MoKa） = 0.907 mm^-1, R = 0.0543 and wR = 0.1336. Compound 1 exhibits one-dimensional chain structures which are further stacked by π-π interactions to give a supramolecular layer. Finally, the N-H...O hydrogen bonds between the nitrogen atom of L and carboxylate oxygen atom stabilize the structure of 1.     

Crystal Structure, Thermal Analysis and Theoretical Calculation of a One-dimensional Chain Complex [Zn（dafo）2（H2O）2]（NO3）2

Introduction Molecular recognition and molecular self-assemblycarried out by cooperation of the weak interactions(electrostatic reaction, hydrogen bonds, van der Waalsforce, short-range repulsive force, etc) are the commonphenomena in nature. In recent years, the research onsupramolecular complex has been a crossing focus ofseveral subjects such as chemistry, physics, biology,material and information.1 Supramolecular complex hasa wide application foreground in material, catalysis,conductor,…     

Synthesis, Character and Crystal Structure of the Complex {Er（DMSO）7} PW12O40

The synthesis, X-ray crystal structure, thermal properties and electrochemistry of the new complex formulated as {Er(DMSO)7}PW12O40 are reported. The single-crystal X-ray analysis reveals that the crystal crystallizes in the monoclinic system, space group P21/c with a = 11.767(2), b = 14.909(3), c = 34.905(7) , β = 98.97(3)°, Mr = 3591.33, V = 6049(2) 3, Dc = 3.944 g/cm3, Z = 4, GOOF = 1.098, F(000) = 6340, R = 0.0490 and wR = 0.1202. Crystal structure analysis indicates that the Er(Ⅲ) is seven-coordinate with a distorted pentagonal bipyramid and combines to the anion [PW12O40]3- via static electric force.     

Synthesis and Crystal Structure of the Copper（Ⅱ） Complex [Cu2Cl2（HEMDP）2]·THF

One dinuclear complex [Cu2Cl2(HEMDP) 2]·THF 1(H2EMDP = 2-[(2-hydroxyethylimino)-methyl]-4,6-diiodo-phenol,THF = tetrahydrofuran) has been designed and synthesized by H2EMDP with CuCl2·2H2O in THF solvent. Complex 1 was characterized by UV,IR,ESI-MS,and elemental analyses. 1 was characterized by X-ray crystallography. The crystal belongs to the monoclinic system,space group C2/c with a = 27.886(3) ,b = 8.6890(12) ,c = 26.698(2) ,β = 105.521(2) o,V = 6233.1(12) 3,Z = 8,Mr = 1102.01,μ = 5.533 mm-1,Dc = 2.349 Mg/m3,F(000) = 4112,the final R = 0.0486 and wR = 0.1175(I > 2σ(I)) . In addition,further investigation revealed that the central copper(Ⅱ) atom in the complex is five-coordinated by one nitrogen atom and two oxygen atoms from H2EMDP and two chlorine atoms from chlorid. The 3,5-diiodosalicylaldehyde Schiff base acts as a tridentate ligand. H2EMDP and 1 were assayed for antibacterial(B. subtilis,S. aureus,S. faecalis,P. aeruginosa,E. coli and E. cloacae) activities by MTT(3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl trtrazolium bromide) method. 1 showed the most favorable antimicrobial activity with MICs of 3.125,6.25,6.25,12.5,3.125 and 6.25 μg/mL against B. subtilis,S. aureus,S. faecalis,P. aeruginosa,E. coli and E.cloacae,respectively.     

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

A new nickel（Ⅱ） complex, C34H38N8NiO4, has been prepared and characterized 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）A, β= 92.589（5）°, Z = 2, Dc = 1.411 g/cm^3,μ = 0.658 mml, 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.     

Crystal Structure of Organometallic Complex [Zn（pom）2I2]

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Synthesis and Crystal Structure of [Mn（DPMT）2Cl2（H2O）2]

The title compound [Mn(DPMT)2Cl2(H2O)2] (DPMT = 1-[[2-(2,4-dichlorophenyl)- 1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole) was synthesized by the reaction of MnCl2·4H2O and DPMT in ethanol solution and its structure was determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group P21/c with a = 23.913(4), b = 7.8883(13), c = 8.6291(14) , β = 95.816(3)o, V = 1619.4(5) 3, Z = 2, C24H26Cl6MnN6O6, Mr = 762.15, Dc = 1.563 g/cm3, μ = 0.950 mm-1, S = 1.045, F(000) = 774, R = 0.0462 and wR = 0.0981. The molecular structure is a centrosymmetric conformation, and two ligands are symmetrically located on both sides of the Mn atom. The manganese atom is surrounded by two nitrogen atoms from ligands, two chlorine atoms and two oxygen atoms from water molecules to form a slightly distorted octahedral geometry.     

Synthesis and Crystal Structure of the Complex [Zn（DBSHSH）（py）2]

1 INTRODUCTION Salicylaldehyde salicyloylhydrazone (SHSH) and their deviatives show moderate fungicidal and anti- bacterial activities[1]. Rao has reported some novel lanthanoid complexes of salicylaldehydrazone. Va- rious polyhedral geometries such as distorted octa- hedron, pentagonal bipyramid and distorted square antiprism were tentatively proposed for the com- plexes used as excellent semi-conducting materials[2]. Tang has studied spectrofluorimetric determination of hydrogen perox…     

Synthesis and Crystal Structure of Macrocyclic Cavitand Cucurbit[5]uril and Its Supramolecular Adduct with Cu（Ⅱ）

The first supramolecular adduct (H₃O)₂[Cu(H₂O)₄](SO₄)₂·2(C₃₀H₃₀N₂₀O₁₀)·₂₄(H₂O) based on cucurbit[5]uril was synthesized and characterized by single crystal X‐ray diffraction analysis. In the adduct, copper ion is coordinated by four oxygen atoms from H₂O. The latter links two cucurbit[5]uril molecules due to a complicated hydrogen bonding containing lattice water molecules.     

Synthesis,Crystal Structure and Thermal Stability of Complex [Cu（C_（14）H_（10）O_4）（C_（12）H_8N_2）_2]·2H_2O

The title complex has been synthesized with 2,2'-biphenyl dicarboxylic acid and 1,10-phenanthroline(phen)in the solvent mixture of water and methanol.It crystallizes(C38H28CuN4O6,Mr = 700.1)in triclinic,space group P1 with a = 1.0868(2),b = 1.2175(2),c = 1.6206(3)nm,α = 110.161(2),β = 102.605(3),γ = 93.667(2)o,V = 1941.6(6)nm3,Dc = 1.198 g/cm3,Z = 2,F(000)= 722,R = 0.0558 and wR = 0.1208.The crystal structure shows that the copper atom is coordinated with one oxygen atom from 2,2'-bphenyl dicarboxylic acid molecule and four nitrogen atoms from two 1,10-phenanthroline molecules,forming a distorted square-pyramidal coordination.The TG analysis shows that the title complex is stable under 160.0 ℃.     

Solvothermal Synthesis,Crystal Structure and Antimicrobial Activity of a Novel Imide Nickel Complex [Ni（CH_3CONCOCH_3）_2·2（H_2O）]

A novel imide nickel complex [Ni(CH3CONCOCH3)2·2(H2O)] was synthesized by the solvothermal reaction of nickel acetate tetrahydrate and acetonitrile.What amazed us is that acetonitrile had changed into acetyl imide in enol form during the formation process of the title complex.The complex was characterized by elemental analysis,IR spectrum and X-ray single-crystal diffraction analysis.It crystallizes in the orthorhombic system,space group Pbca with a = 7.4503(7),b = 13.1089(12),c = 14.1303(14),V = 1380.0(2)3,Dc = 1.420 g/cm3,Mr = 294.94,Z = 4,F(000) = 616,μ = 1.422 mm-1,the final R = 0.0487 and wR = 0.1482.The four-coordinated nickel(II) center is surrounded by 4O atoms from two imide ligands and has a distorted square planar geometry.The complex is connected to form a supramolecule with an infinite three-dimensional network through intramolecular and intermolecular hydrogen bonds.Antimicrobial activity was investigated by agar diffusion method,and the result showed that the complex was active against coli bacillus,staphylococcus aureus and bacillus subtilis.The thermal stability of the title complex was also studied by TG-DTA method.     

Synthesis and Crystal Structure of a Novel Binuclear Copper（Ⅱ） Complex, [Cu（paba）Cl]

A novel binuclear Cu（Ⅱ） complex [Cu（paba）Cl] （pabaH = 2-（2-pyridylmethylimine）benzenesulfonic acid） has been synthesized and characterized by elemental analysis, IR and single-crystal X-ray diffraction. The crystal of the title complex crystallizes in a monoclinic system, space group P21/n, with a = 6.8165（7）, b = 15.3073（16）, c = 12.3795（13） A^°, β= 95.0160（10）°, V= 1286.8（2） A^°^3, Mr = 360.26, Dc= 1.860 g/cm^3,μ = 2.074 mm^-1, F（000） = 724, Z = 4, the final R = 0.0252 and wR = 0.0675 for 2395 observed reflections with I 〉 20（I）. The title complex is centrosymmetric and a pair of chlorides act as μ2-bridges to link two Cu（Ⅱ） ions forming a binuclear complex. Every Cu（Ⅱ） ion is five-coordinated by pyridyl N, imine N and sulfonate O atoms of the tridentate paba ligand as well as two bridging Cl^-, constructing the distorted square-pyramidal geometry. In the structure extensive hydrogen bonds and weak π-π stacking stabilize the solid structures, through which the complex builds its 3-dimensional supramolecular structure.     

Synthesis and Structure of a Zinc（Ⅱ） Complex： [Zn（Pybta）·Cl2]n

The title compound, [Zn（Pybta）Cl2]n （Pybta = 1-（2-pyridylmethyl）benzontriazole）, has a zigzag chain structure. It crystallizes in the monoclinic system, space group P21/c with a = 9.0103（11）, b = 17.0276（18）, c = 9.2288（11）A,β = 101.309（6）°, Mr= 346.51, V= 1388.4（3）A^3, Z= 4, De= 1.658 g/cm^3, F（000） = 696,/a = 2.143 mm^-1, the final R = 0.0492 and wR = 0.1236 for 2545 observed reflections with I 〉 2σ（I）. The Zn atom is four-coordinated by two N and two Cl atoms, forming a slightly distorted tetrahedral geometry. Each zigzag chain links its adjacent symmetryrelated equivalents via multiple π-π interactions, which are not frequently observed in the previously reported architectures.     

Synthesis and Crystal Structure of a New Lanthanum（Ⅲ） 4-Cyanobenzoate Complex

A new dinuclear La（Ⅲ） complex [La2（4-cba）4[H（4-cba）2]2（phen）2（H2O）4] （4-Hcba = 4-cyanobenzoic acid and phen = 1,10-phenanthroline） 1 has been synthesized by solvothermal reaction in an ethanol/water mixed solution at 100 ℃ and structurally characterized by singlecrystal X-ray diffraction. Crystallographic data： C88H58La2N12O20, Mr = 1881.28, triclinic P1, a = 7.518（3）, b = 17.033（6）, c = 17.551（6）A, α = 115.333（4）, β = 92.9910（10）, γ = 99.366（5）°, V = 1985.3（12）A^3, Z = 1, Dc = 1.574 g/cm^3, F（000） = 944 μ = 1.145 mm^–1, the final R = 0.0281 and wR = 0.0686 for 6708 reflections with Ⅰ 〉 2σ（I）. In 1, two nine-coordinated La（Ⅲ） ions are connected by two 4-cba ligands in a syn-syn bidentate coordination mode, and the other six 4-cba ligands terminate the La（Ⅲ） ions, resulting in an isolated dinuclear structure. Two different types of intramolecular hydrogen bonds, asymmetrical O-H…O and symmetrical O…H…O, exist in the crystal. The title complex molecules are connected through hydrogen bonds and weak π-π stacking interactions to generate a 2-D layered network. The thermogravimetric analysis of 1 has also been discussed.