Syntheses and Crystal Structures of Two New Metal Phosphonates:[Mn(H_2O)_2(C_(12)H_8N_2)(HO_3PCH_2CH_2CO_2)] and [Co(H_2O)_4(C_(10)H_8N_2)]·(HO_3PCH_2CH_2CO_2)

By the reactions of manganese(II) acetate, 2-sulfoethylphosphonic acid, 1,10-phen (1,10-phen = 1, 10-phenanthroline) or cobalt(II) acetate, 4,4'-bipy and 2-carboxyethylphosphonic acid, two novel compounds of [Mn(H2O)2(C12H8N2)(HO3PCH2CH2CO2)] (1) and[Co(H2O)4 (C10H8N2)]· (HO3PCH2CH2CO2) (2) have been synthesized and characterized by IR spectroscopy, elemental analyses and single-crystal X-ray diffraction. Compound 1 has a 0D structure. Two Mn(II) ions are linked by two 2-carboxyethylphosphonic acid ligands, forming a centrosymmetric dimer. These dimers are further interlinked into a 2D layer structure by π-π stacking interactions and hydrogen bonds. Compound 2 has a 1D chain structure. The 2-carbo- xyethylphosphonic acid remains uncoor- dinated and acts as the organic template. By the bridge of 4,4'-bipy, the [Co(4,4'-bipy)]2+ chains are formed.     

Synthesis and Crystal Structure of [Cu_2(DMF)(H_2O)(C_7H_4NO_4)_2(C_7H_3NO_4)]_2·3.5DMF

A new copper(II) complex [Cu2(DMF)(H2O)(C7H4NO4)2(C7H3NO4)]2·3.5DMF has been synthesized and its structure was determined by single-crystal X-ray diffraction.The crystal is of triclinic,space group P1 with a = 10.722(3),b = 18.170(4),c = 20.923(7),α = 105.297(9),β = 101.701(10),γ = 105.74(1)°,V = 3615(1) 3,Z = 2,C58.50H64.50Cu4N11.50O31.50,Mr = 1686.90,Dc = 1.550 g/cm3,μ = 1.255 mm-1,F(000) = 1728.00,T = 150(2) K,the final R = 0.0640 and wR = 0.173 for 11310 observed reflections with I > 2σ(I).In the crystal,each formular unit consists of two dinuclear copper(II) compounds,between which the O-H···O hydrogen bonds exist.Each CuII cation is six-coordinated in an octahedral geometry.The intermolecular hydrogen-bonding interaction leads to a 3-D framework of the title compound.     

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- …     

Synthesis and Crystal Structure of a Novel Zinc Complex [Zn(OH_2)(HDPA)_2]·3H_2O

1INTRODUCTION In recent years,dicarboxylic acids have been wide-ly used as poly-dentate ligands involved in various metal chelation reactions to form transition or rare earth metal complexes with interesting properties in material science[1~3]and biological systems[4~7].For example,Kim,Y.and his coworkers focus on the syn-theses of copper(II)complexes containing ligands of malonate and pyrazine to study their electronic con-ductivity and magnetic property[8].The importance of Tr(II)/dic…     

Synthesis and Crystal Structure of a [Cu(HTren)Cl_2]ClO_4·H_2O Complex (Tren = Tris(2-aminoethyl)amine)

1INTRODUCTION Investigation of the coordination chemistry of copper(II)continues to be stimulated by interest in developing modes for copper proteins and in under-standing the factors which give rise to the seemingly infinite variety of distortions from regular stereo-chemistry observed in Cu(II)complexes[1,2].For more than decades,due to the unique coordination polyhedra and their easy preparation,tripodal copper complexes have attracted much attention in addition to their special chemi…     

Two New Copper(Ⅱ) Complexes with p-Cyanobenzoic Acid: Synthesis,Crystal Structures and Properties

The complexes of [Cu(bpy)(H2O)(CBA)2]n 1 and [Cu(phen)(H2O)(CBA)2]·H2O 2 based on p-cyanobenzoic acid(HCBA) have been synthesized in aqueous ethanolic solution at room temperature. The single-crystal X-ray diffraction studies demonstrated that complex 1 crystallizes in orthorhombic and complex 2 is of triclinic system. The results indicate the complex 1 shows a 1D chain structure bridged by two carboxylic oxygen atoms from CBA–, and complex 2 is a mononuclear structure. Through intermolecular hydrogen bonding and π...π stacking interactions, the complexes are assembled into supramolecular structures. Complex 1 has been characterized by magnetic measurements. The magnetic measurement indicates that weak ferromagnetic interaction(zJ= 0.038(5)) between the Cu2+ ions is dominant in the structure. The IR spectrum and results of thermal and elemental analyses are also presented.     

Synthesis and Crystal Structure of a Dinuclear Cu(Ⅱ) Complex [Cu(C_(13)H_9N_2O)Cl]_2·(CH_3CN)_2 with Ligand 2-Benzimidazol

A new dinuclear copper complex, [Cu(C13H9N2O)Cl]2·(CH3CN)2 (C30H24Cl2Cu2N6O2), has been synthesized and characterized by X-ray structure determination. It crystallizes in the tricli- nic system, space group P1, with a = 7.6677(14), b = 9.2375(17), c = 11.227(2) , α = 81.338(3), β = 88.173(4), γ = 66.199(3)o, V = 718.9(2) 3, Z = 1, Mr = 698.53, F(000) = 354, Dc = 1.613 g/cm3, μ(MoKα) = 1.705 mm-1, the final R = 0.0645 and wR = 0.1364 for 2474 unique reflections with 1809 observed ones (I > 2σ(I)). In the title complex, each copper(II) atom is located at the center of a distorted tetrahedron consisting of four coordinate atoms (one nitrogen atom, two oxygen anions, and one chlorine atom). Two copper(II) atoms are bridged by two oxygen anions (O(1) and O(1a)) of two phenolates to form a Cu(II)–Cu(II) binuclear entity, and the distance between two copper(II) atoms is 3.0144(15) .     

Synthesis and Crystal Structure of [Ni(C_5H_2N_2O_4)(2,2''''bipy)(H_2O)_2]·H_2O

1 INTRODUCTION Orotic acid (H3dtpc), an important pyrimidine derivative as the effective precursor in the biosynthesis of pyrimidine base of nucleic acids in living organisms, plays a unique role in bioinorganic and pharmaceutical. Aside from the biological interest, orotic acid is also interesting in coordination chemistry. Its ketonic and enolic tautomers along with asymmetric geometry make it to be a very good versatile polydentate ligand[1~5]. The incorporation of metals into supram…     

Synthesis and Crystal Structure of an Azide Bridged Binuclear Zinc(Ⅱ) Dimer Containing Taurine Schiff Base [Zn_2(C_8H_9N_2O_3S)_2·(N_3)_2·(H_2O)_2]_2·_2H_2O

1 INTRODUCTION The investigation of Shiff base complexes con- taining sulfur and complexes of amino acid Schiff bases[1, 2] has recently aroused considerable interest due to their antiviral, anticancer and antibacterial activities. Taurine, known as 2-aminosulfonic acid, is indispensable to human beings and plays an im- portant role in physiological functions. In this con- tribution, we present the synthesis and crystal struc- ture of a new binuclear Zn(II) dimmer with a tri- dentate Sc…     

一维双链镉髤配合物[Cd(C_5H_5N)CH_2C(OH)(PO_3)(PO_3H)·3H_2O]_n的合成与晶体结构(英文)

A new cadmium complex [Cd(C5H5N)CH2C(OH)(PO3)(PO3H)·3H2O]n ((C5H4N)CH2C(OH)(PO3H2)2=1-hydroxy-2-(2-pyridyl)ethylidene-1,1-diphosphonate acid) has been synthesized under hydrothermal conditions. Single crystal structure determination reveals that the compound has a ladder-like chain structure in which the edge- shared {CdO6} octahedra are linked by {CPO3} tetrahedra through corner-sharing. The chains of {Cd(C5H5N)CH2C (OH)(PO3)(PO3H)}n are linked by inter-chain hydrogen bonds, forming a supramolecular layer.     

Layered Lanthanum Complex with 3-Nitrophthalic Acid Assembled via Hydrogen Bonds-Synthesis, Structure and Characterization of [LaL(HL)(H_2O)_3]_2·2H_2O (H_2L=3-NO_2C_6H_3(CO_2H)_2)

A new dinuclear centrosymmetric complex [LaL(HL)(H2O)3]2·2H2O (H2L = 3-nitro- phthalic acid, NPA) was synthesized in water/ethanol solution and characterized by X-ray diffraction, IR spectrum and TGA-DTA. The complex crystallizes in triclinic system, space group P1 with a = 8.1549(16), b = 8.8856(18), c = 15.277(3) , α = 100.93(3), β = 90.81(3), γ = 104.56(3)°, V = 1049.8(4) 3, Z = 1, μ = 2.125 mm-1, Dc = 1.994 g/cm3, R = 0.0259 and wR = 0.0679. Two 3-nitrophthalates(2-) coordinate with the La3+ ions in a bridging mode, and two monohydrogen- 3-nitrophthates(1-) and three waters in terminal ways, respectively. Each La3+ ion is nine- coordinated to exhibit a distorted tricapped trigonal prism coordination polyhedron. Both the coordinated and crystal waters are involved in the inter- and intramolecular hydrogen bonds. The dinuclear units are linked into a 2D network structure in the ab plane via intermolecular hydrogen bonds along the axes a and b. Two crystal waters fill each rhombic pore of the network. The networks are further packed along the c axis forming a layered supramolecular structure through the C–H…O weak forces between the adjacent sheets. TGA analysis shows the complex undergoes the loss of waters of crystallization and coordination and the decomposition of ligands sequentially.     

Synthesis and Characterization of Three Diverse Coordination Frameworks under Co-ligand Intervention

The chelating organic ligands of 2,2’-bipyridine (2,2’-bipy), di(pyrid-2-yl)amine (dpa) and 2,6-di(pyrid-2-ylamino)pyridine (dpap) were respectively applied to react with H2fum (fumaric acid) and copper salts, affording three different complexes [Cu2(fum)(2,2’-bipy)4]•2ClO4 (1), [Cu2(µ-OH)2(fum)(dpa)2]•2H2O (2) and [Cu(SO4)(H2O)(dpap)]•H2O (3). These complexes were determined by single-crystal X-ray diffraction. Each penta-coordinated Cu(II) ion exhibits a distorted trigonal bipyramidal geometry in 1. The fum ligand links copper ions to form a dinuclear copper unit. While in 2, the fum ligands connect [Cu2(µ-OH)2(dpa)2] unit to construct a 1D zigzag chain. Unexpectedly, when dpap instead of dpa was used under the same conditions, only one mononuclear complex 3 was formed. Crystal packings show that 1—3 form 3D supramolecular architectures through non-covalent interactions (multiple hydrogen bonds and C—H…π/π-π interactions). In addition, the study of the magnetic property reveals dominating ferromagnetic interactions between Cu(II) atoms in 1.     

Syntheses,Crystal Structures and Catalytic Properties of Copper(Ⅱ) and Cobalt(Ⅱ) Complexes Containing 5,6-Dimethylbenzimidazole

Two new complexes, [Cu(DMB)2(NAA)2](1) and [Co(DMB)2(NAA)2](2)(DMB = 5,6-dimethylbenzimidazole, HNNA = 1-naphthylacetic acid), were hydrothermally synthesized and characterized by elemental analysis, IR spectroscopy, TGA, PXRD and single-crystal X-ray diffraction analysis. The coordination geometry of the metal centers is a perfect square plane for 1 and a distorted tetrahedron for 2. In compound 1, the mononuclear units are linked by N–H···O hydrogen bonds to form a 1D chain structure, while mononuclear motifs of 2 are extended via N–H···O hydrogen bonding and π-π stacking interactions into a 2D supramolecular layer. The remarkable catalytic properties of the two complexes for the degradation of Congo red dye have been found.     

Synthesis,Crystal Structure,and Photoluminescent and Semiconductive Properties of [La(C_6NO_2H_5)_3-(H_2O)_2]_(2n)·(nH_5O_2)(nHgCl_5)(2nHgCl_4)·(2nH_2O)

A new heterometallic 4f-5d inorganic-organic metal-isonicotinic acid complex [La(C6NO2H5)3(H2O)2]2n·(nH5O2)(nHgCl5)(2nHgCl4)·(2nH2O) 1 has been synthesized via hydro-thermal reaction and structurally characterized. Complex 1 crystallizes in the space group C2/c of monoclinic system with four formula units in a cell:a =24.140(7),b=20.884(7),c=15.462(2),β=127.46(1)°,V=6187(3)3,C36H47Cl13Hg3La2N6O20,Mr=2224.24,Dc=2.388 g/cm3,Z=4,T=293(2) K,μ(MoKα)=9.401 mm-1,F(000)=4160 and R/wR=0.0376/0.0636 for 4130 observed reflections (I > 2σ(I)) and 5617 unique reflections. Complex 1 is characteristic of a one-dimensional polycationic chain-like structure. Photoluminescent investigation reveals that the title complex displays interesting emissions in violet and orange regions. The luminescence spectra show stronger orange emission than violet emission. Optical absorption spectra of 1 reveal the presence of a wide optical bandgap of 3.41 eV.     

Synthesis,Crystal Structure and Thermoanalysis of Complex of Zn(II) with Aminomethanesulfonic Acid-5-bromosalicylaldelyde Schiff Base

1 INTRODUCTION There is considerable interest in the study of Schi- ff-base complexes containing sulfur and complexes of amino acid Schiff-bases[1~8] due to their antiviral, anticancer and antibacterial activities. Furthermore, zinc, as one of the most important trace elements, plays a versatile role in biological systems due to its structural and catalytic roles in enzymes[9, 10]. There- fore, many efforts have been expended on the study of synthetic analogues of zinc enzymes in the hope…     

STRUCTURE OF PENTAAQUO PYROMEL DIZINE (Ⅱ)-DIHYDROUS [C_6H_2(COO)_4Zn_2(H_2O)_5]·2H_2O

Crystal and molecular structure of [C6H2(COO)4Zn2(H2O)5]·2H2O has been determined by X-ray diffraction technique, Mr = 507. 0,monoclinic,space group P21/n,a = 5. 925(1), 6 = 23. 613(9) ,c= 11. 790(5) A ,β= 96. 36 (3)°, V=1639. 3 (1. 0) A3,Z=4,DC = 2. 05g/cm3,λ=0. 71069 A,μ(MoKa) = 30. 9/cm-1,F(000) = 1024e. The structure was solved by Patterson and Fourier techniques and refined by least-squares method to a final conventional R value of 0. 055(Re = 0. 059)for 1557(I>3σ(I))reflections. Both atoms Zn(1) and Zn(2) are bridged by the Z,E-type of the car-boxyl group, in addition, Zn (1) is monodentate-bonded to the three remaining carboxyl and Zn(2) is bonded to five water molecules. The crystal structure shows a 2-dimensional polymeric network along(010)face. The Zn(l) -O distances are in the range of 1. 94~ 2. 01 A (average 1. 98 A ). The Zn(2) -O distances are in the range of 2. 06~2. 21 A (average 2. 12A).     

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…     

A series of novel Zn(Ⅱ) and Mn(Ⅱ) metal-organic frameworks constructed by 2,4-bis-oxyacetate-benzoic acid: syntheses,structures and photoluminescence

A new carboxylic acid ligand, 2,4-bis-oxyacetate-benzoic acid(H3BOABA), was designed and introduced to construct novel metal-organic framework materials. [Zn Na(BOABA)(phen)(H2O)]·H2O(1), Zn Na(BOABA)(2), Mn3(BOABA)2(phen)2(3), [Mn2(BOABA)(OH)]·(H2O)2(4)(CCDC: 885138, 885137, 894225, 883094) were hydrothermally synthesized and characterized by elemental analysis, IR spectra and thermal gravimetric analyses. Crystal structures of the complexes were determined by single crystal X-ray diffraction method. Complex 1 is a one dimensional double edges non-interpenetrated framework decorated by the phen ligands on the surface. Complex 2 is an unique three dimensional open framework, consisting of Zn(II) and Na(I). Complex 3 is an unique double edges one dimensional MOF containing a [Mn3(BOABA)2(phen)2]n non-interpenetrated structure. Complex 4 is a two dimensional plane structure containing two Mn atoms in the same coordination environment. The interaction between four complexes and DNA were studied by Et Br fluorescence probe. Meanwhile, photoluminescence studies revealed that these four complexes display strong fluorescent emission bands in the solid state at room temperature.     

Synthesis and Crystal Structure of a New Charge-assisted Hydrogen-bonded Host Framework [Co(en)_3]_2[Zr_2(C_2O_4)_7]·2H_2O

Using the deep eutectic solvent formed of oxalic acid and choline chloride, a new charge-assisted hydrogen-bonded host framework [Co(en)3]2[Zr2(C2O4)7]·2H2O(1) has been obtained. The title complex crystallizes in the monoclinic, space group P21/n(No. 14) with a = 7.7448(10), b = 14.5683(19), c = 19.375(3), β = 92.124(2)o, V = 2184.5(5) 3, Z = 4, Dc = 1.996 g.cm-3, F(000) = 1332, μ = 1.328 mm-1, R = 0.0353 and w R = 0.0718(Ⅰ 2σ(Ⅰ)). Single-crystal structure analysis reveals that the title complex possesses a 3D network assembled through a multitude of charge-assisted hydrogen bonds between the in situ generated anionic coordination complexes [Zr2(C2O4)7]6- and metal complexes Co(en)33+.     

Synthesis,Crystal Structure and Photoluminescence of [Gd(C_6NO_2H_5)_3-(H_2O)_2]_(2n)·(nH_5O_2)(nHgCl_5)(2nHgCl_4)·(2nH_2O)

A heterometallic 4f-5d inorganic-organic metal-isonicotinato hybrid Gd(C6NO2H5)3-(H2O)22n·(nH5O2)(nHgCl5)(2nHgCl4)·(2nH2O) 1 has been synthesized via hydrothermal reaction and structurally characterized.Complex 1 crystallizes in the space group C2/c of monoclinic system with four formula units in a cell:a=24.234(8)=b=20.816(7)=c=15.333(3)=β=128.091(8)°=V=6088(3)3=C36H47Cl13Gd2Hg3N6O20=Mr=2260.92=Dc=2.467 g/cm3=S=0.896=μ(MoKα)=10.331 mm-1=F(000)=4216=R=0.0344 and wR=0.0629.The crystal structure analysis reveals that the title complex is characteristic of a one-dimensional chain-like structure.Photoluminescent investigation reveals that the title complex displays a broad and intense emission in the green region.