Crystal Structure of a Novel Complex Na_4[Y(PDC)_2(BTC)]·5H_2O with One-Dimensional Helical Network Structure (H2PDC = 2,6-Pyridinedicarboxylic acid)( H_3BTC = 1,3,5-Benzenetricarboxylic acid )

1 INTRODUCTION The assembly of coordination networks is a field of increasing interest[1~4]. Research along this line is induced by the idea that coordination networks have potential technological applications such as optoele- ctronic devices and microporous materials for shape and size separation and catalysis[5~7]. In this paper, there has been current interest in using polycarboxy- late as anion linking groups to support stable poly- meric coordination open frameworks with transition m…     

Synthesis and Crystal Structure of a Two-dimensional Framework Supramolecular Complex [Mn(phen)(DPZDA)(H2O)]·2H2O

A novel two-dimensional supramolecular complex [Mn(phen)(DPZDA)(H2O)]·2H2Ohas been synthesized by the reaction of Mn(CH3COO)2, 1,10-phenanthroline (phen) and H2DPZDA (3,5-dimethyl-pyrazine-2,6-dicarboxylic acid). Elemental analysis, IR spectra and X-ray singlecrystal diffraction were carried out to determine the composition and crystal structure of the title complex. Crystal data: triclinic system, space group P-1, a = 7.7474(13), b = 9.3381(15), c =15.146(3)(A), α = 93.872(3), β = 102.451(11), γ = 105.261(11)°, C20H20MnN4O7, Mr = 483.34, Z = 2,F(000) = 498, V = 1023.2(3)(A)3, Dc = 1.569 g/cm3, μ = 0.697 mm-1, -9≤h≤9, -11 ≤k≤ 10, -18≤l≤12, R = 0.0365 and wR = 0.0901 for 3585 independent reflections (Rint = 0.0165) and 2923observed reflections (I ＞ 2σ(I)). Structural analysis indicates that Mn(Ⅱ) adopts a distorted octahedral geometry. The 2-D framework supramolecular structure of the title complex is constructed from hydrogen bonds and π…πinteractions.     

Synthesis and Crystal Structure of a Nickel(Ⅱ) Complex [Ni(H2btc)2(hmta)2(H2O)] with 1,3,5- Benzenetricarboxylate and Hexamethylenetetramine

The title compound, Ni(H2btc)2(hmta)2(H2O) (C30H35N8NiO13), has been syn- thesized by the reaction of Ni(CH3COO)2(H2O, 1,3,5-benzenetricarboxylate and hexame-thylene- tetramine in DMF and characterized by X-ray single-crystal diffraction.It crystallizes in the orthor- hombic system, space group Pccn with a = 20.610(4), b = 12.246(2), c = 12.907(3) (A), V = 3257(1) (A)3, Z = 4, Mr = 774.37, F(000) = 1612, Dc = 1.579 g/cm3 and μ(MoKα) = 0.677 mm(1.The structure was refined to the final R = 0.0476 and wR = 0.1115 for 3221 observed reflections (I > 2σ(I)).Ni(II) ion is penta-coordinated with two oxygen atoms of monodentate carboxylate groups from two 1,3,5- benzenetricarboxylates, two nitrogen atoms from two hexamethylenetetramines in the equatorial plane, and one water molecule in the axial position.The coordination geometry of Ni(II) can be described as a nearly ideal square-pyramid.Hydrogen bonds exist between the complex molecules, leading to a two-dimensional structure.     

Synthesis and Crystal Structure of Complex [Pb(qina)2(DMSO)]·H2O

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)(A),β = 91.671(4)°, C22H20N2O6PbS, Mr = 647.65, Z = 4, V= 2171.5(6)(A)3, Dc= 1.981g/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.     

Solvothermal Synthesis, Crystal Structure and Electrochemical Property of Complex [Co(p-MBA)2(2,2'-bipy)(H2O)]·(H2O)

One novel complex [Co(p-MBA)2(2,2'-bipy)(H2O)]·(H2O) has been synthesized by the reaction of p-methylbenzoic acid with 2,2'-bipyridine in the solvent mixture of water and methanol. It crystallizes in triclinic, space group P-1 with a=0.70479(14), b=1.1211(2), c=1.6718(3) nm, α=103.806(3), β=90.795(3), γ=104.207(3)°, V=1.2399(4) nm3, Mr=512.41, Dc=1.373 g/cm3, Z=2, F(000)=532, μ=0.733 mm-1, R=0.0432 and wR=0.0957. The crystal structural analysis shows that the cobalt atom is coordinated with three oxygen atoms from two p-methylbenzoic acids and one water molecule and two nitrogen atoms from one 2,2'-bipyridine,forming a distorted square-pyramidal coordination geometry. The cyclic voltammetry behavior of the complex is also reported.     

Synthesis and Crystal Structure of a Macrocycle [Cu(dadm)(mal)(H2O)]2·2H2O

The reaction of 4,4′-diaminodiphenylmethane (dadm), malonic acid (H2mal) and Cu(NO3)2 in aqueous solution results in a discrete binuclear Cu(II) macrocycle: [Cu(dadm)(mal)- (H2O)]2(2H2O. It crystallizes in monoclinic, space group P21/c with a = 15.231(3), b = 11.847(2), c = 9.801(2)A,Z= 106.75(3)o, V = 1693.5(6)A3, Z = 2, C32H40Cu2N4O12, Mr = 799.76, Dc = 1.568 g/cm3, λ(MoK() = 0.71073A, μ = 1.325 mm-1, F(000) = 828, the final R = 0.0531 and Wr = 0.1244 for 3421 observed reflections with I > 2σ(I). Each Cu(II) is coordinated by two oxygen atoms from a mal ligand, two nitrogen atoms from two dadm ligands and a water oxygen atom to form a triangle bipyramidal motif. The title compound possesses a distorted macrocycle enclosed by dadm with approximate dimensions of 8.3A× 5.9A.     

Hydrothermal Synthesis and Crystal Structure of a Cadmium(Ⅱ) Polymer with One-dimensional Chain Structure: [Cd(MDPPz)(BDC)(H2O)]n

A metal-organic coordination compound formulated as [Cd(MDPPz)(BDC)(H2O)]n 1 (MDPPz = 11-methyldipyrido[3,2-a:2',3'-c]phenazine, BDC = 1,4-benzenedicarboxylate) has been hydrothermally synthesized and structurally characterized by elemental analysis, IR spectrum, fluorescence spectrum and single-crystal X-ray diffraction. The title compound crystallizes in the monoclinic system, space group C2/c, with a = 30.673(8), b = 9.623(3), c = 20.784(6) (A), β = 98.646(3)o, V = 6065(3) (A)3, C27H17CdN4O5, Mr = 589.85, Dc = 1.292 g/cm3, μ(MoKα) = 0.757 mm(1, F(000) = 2360, Z = 8, the final R = 0.0381 and wR = 0.0855 for 4191 observed reflections (I＞2σ(I)). 1 exhibits blue fluorescence property at room temperature.     

Synthesis and Crystal Structure of a Novel Zinc Complex[Zn(OH2)(HDPA)2]·3H2O

A new complex [Zn(OH2)(HDPA)2]·3H2O 1 (H2DPA = 2,6-pyridine-dicarboxylic acid) has been prepared at room temperature from the reaction of zinc(II) chloride and 2,6-pyri- dine-dicarboxylic acid in mixed solvent of H2O and EtOH with pyridine, and characterized by X-ray analysis and thermal analysis, exhibiting that the coordination geometry of Zn(II) ion is an octa- hedron. Crystal data: ZnC14H16N2O12, Mr = 469.66, monoclinic, P21/n, a = 7.0067(3), b = 23.8215 (12), c = 10.7404(3)(A), β = 99.823(2)°,V = 1766.40(13)(A)3, Z = 4, Dc = 1.766 g/cm3, F(000) = 960, μ = 1.463 mm-1, R1 = 0.0462 and wR2 = 0.0884 (I > 2σ(I)).     

Synthesis and Crystal Structure of [Zn(FcCOO)2(2,2′-bipy)(H2O)]2·H2O

A novel complex [Zn(FcCOO)2(2,2′-bipy)(H2O)]2·H2O (Fc = (η5-C5H5)Fe(η5-C5H4), 2,2′-bipy = 2,2′-bipyridine) has been synthesized and characterized by elemental analysis, IR and X-ray diffraction. It crystallizes in monoclinic system, space group P21/c with a = 6.8187(4), b = 21.7155(13), c = 19.7411(12) (A), α = 90, β = 97.7420(10), γ = 90°, C64H58Fe4Zn2N4O11, Mr = 1413.28, V = 2896.4(3) (A)3, Dc = 1.620 g/cm3, Z = 2, F(000) = 1444, μ(MoKα) = 1.857 mm-1, R = 0.0523 and wR = 0.0982 for 3219 observed reflections (I ＞ 2σ(I)). Structural analysis shows that the zinc atom is coordinated with three oxygen atoms from two ferrocenemonocarboxylates and one water molecule together with two nitrogen atoms from 2,2′-bipyridine, giving a distorted square-pyramidal coordination geometry. The complex molecules are linked to form an infinite one-dimensional chain by both intermolecular hydrogen bonds and π-π stacking interactions of the bipyridine rings.     

Synthesis and Crystal Structure of [Zn(FcCOO)2(2,2′-bipy)(H2O)]2·H2O

A novel complex [Zn(FcCOO)2(2,2′-bipy)(H2O)]2·H2O (Fc = (η5-C5H5)Fe(η5-C5H4), 2,2′-bipy = 2,2′-bipyridine) has been synthesized and characterized by elemental analysis, IR and X-ray diffraction. It crystallizes in monoclinic system, space group P21/c with a = 6.8187(4), b = 21.7155(13), c = 19.7411(12) (A), α = 90, β = 97.7420(10), γ = 90°, C64H58Fe4Zn2N4O11, Mr = 1413.28, V = 2896.4(3) (A)3, Dc = 1.620 g/cm3, Z = 2, F(000) = 1444, μ(MoKα) = 1.857 mm-1, R = 0.0523 and wR = 0.0982 for 3219 observed reflections (I ＞ 2σ(I)). Structural analysis shows that the zinc atom is coordinated with three oxygen atoms from two ferrocenemonocarboxylates and one water molecule together with two nitrogen atoms from 2,2′-bipyridine, giving a distorted square-pyramidal coordination geometry. The complex molecules are linked to form an infinite one-dimensional chain by both intermolecular hydrogen bonds and π-π stacking interactions of the bipyridine rings.     

Crystal Structure of Calcium [Aqua(Nitrilotriacetatocobaltate(II)] Tetrahydrate,Ca[Co(Nta)(H2O)]2· 4H2O

Crystals of Ca[Co^II(Nta)]₂· 6H₂O (I), where Nta^3–is a nitrilotriacetate ion, were synthesized and studied using X-ray diffraction analysis. They were found to be monoclinic: a= 6.991(1), b= 10.031(1), c= 16.238(3) Å, = 98.50(1)°, V= 1126.2(3) ų, space group P2₁/n, Z= 2, R ₁= 0.0241, wR ₂= 0.0636, GOOF = 1.050 (for 3132 reflections with I> 2(I)). Structure Iis composed of {[Co(Nta)(H₂O)]^–}₁anion chains united by Ca²⁺cations into a three-dimensional framework. The coordination polyhedra of Co and Ca atoms are distorted octahedra. The Co(II) atom environment includes atoms N(1), O(1), O(3), and O(5) of one Nta^3–ligand, a carbonyl O(2)" atom of the neighboring anion fragment, and an O(w1) atom of the water molecule. The shortest bond is formed by the Co atom with the bridging O(2)" atom in trans-position relative to atom N(1). The Co–O(2)" distance (2.029 Å) is noticeably shorter than the other bond lengths, Co–O(Nta) (2.069–2.103 Å), Co–O(w1), and Co–N(1) (2.155 and 2.177 Å, respectively). Cations Ca²⁺are located in the inversion centers and involve in their coordination atoms O(4), O(6), O(w2), and the oxygen atoms symmetrically bond to them and arranged at 2.271(1), 2.420(1), and 2.351(2) Å, respectively. The structural formula of the title compound is {Ca(H₂O)₂[Co(Nta)(H₂O)]₂}₃· 2H₂O.     

Crystal Structure and Magnetic Properties of A One-Dimensional Polymer [Mn(im2-py)(tp)(H2O)2]·1.25H2O

A new manganese(II) complex [Mn(im2-py)(tp)(H₂O)₂]·1.25H₂O (im2-py=2-(2'-pyridyl)-4,4,5,5-tetramethylimidazoline-1-oxyl and tp=terephthalato dianion) has been synthesized and characterized structurally and magnetically. The crystal structure consists of neutral chains of manganese(II) ions linked by the terephthalate ligand. Variable temperature magnetic susceptibility data exhibit a weak antiferromagnetic coupling between the manganese(II) ion and the imino nitroxide radical.     

Crystal Structure and Interaction with DNA of [Ni(phen)(mal)(H2O)2]·3H2O

A new complex [Ni(phen)(mal)(H2O)2]·3H2O (phen = 1,10-phenanthroline,mal2-= malonic acid) has been synthesized by the reaction of nickel nitrate,phen and malonic acid.EA,IR spectra and X-ray single-crystal diffraction were carried out to determine the composition and crystal structure of the title complex.Crystal data:monoclinic system,space group P2/c,a =8.937(3),b = 12.163(5),c = 9.725(3)(A),β = 119.36°,C15H19N2O9Ni,Mr= 430.03,Z = 2,F(000) =446,V = 921.3 (A)3,Dc = 1.550 g/cm3,μ = 1.104 mm-1,-10≤h≤ 10,-12≤k≤ 14,-11 ≤l≤7,R =0.0261 and wR = 0.0609 for 4376 (Rint = 0.0203) independent reflections and 1631 observed ones (I＞ 2σ(I)).Ni(Ⅱ) exhibits an octahedral coordination geometry,with hydrogen bonds and π-π interactions stabilizing the whole structure.UV spectrum of the complex interacting with protamine DNA indicates that the title compound interacts with DNA via insertion mode with bonding constant Kb of 1.11 × 104.     

Synthesis and Crystal Structure of a Cu^2＋ Supramolecular Complex [Na2Cu（BTA）2（H2O）8]·H2O with a Three-dimensional Network Structure

A three-dimensional Cu^2＋ supramolecular complex [Na2Cu（BTA）2（H2O）8]·H2O 1 （H2BTA = bistetrazolylamine） was synthesized by reacting the aqueous solution of CuSO4·5H2O and H2BTA under stirring. The crystal structure of 1 was determined by single-crystal X-ray diffraction. The result indicates that 1 crystallizes in triclinic, space group P1, with a = 7.0518（2）, b = 12.2692（2）, c = 13.8583（3） A, α = 115.7260（10）,β = 93.2440（10）, γ = 98.3610（10）°, Mr = 573.90, V= 1059.01（4） A^3, Z = 2, De= 1.800 g·cm^-3,μ（MoKα） = 1.155 mm^-l, F（000） = 586.0, S = 1.074, the final R = 0.0273 and wR = 0.0744 for 4334 observed reflections with I 〉 2σ（I）. The Cu^2＋ ion is five-coordinated with a N4O1 donor set with r = 0.153 according to the method of Addison et al. And the Na^＋ ions form an infinite main chain through bridging O atoms from coordinated water molecules. In 1, a three-dimensional supratnolecular network is formed by O-H….O, O-H…N, N-H…O and N-H…N hydrogen bonds.     

Hydrothermal Synthesis and Crystal Structure of a Novel Isophthalate-bridged Copper(Ⅱ) Polymer with Two-dimensional Network Structure: [Cu2(phen)(ipt)2]2n·nH2O (ipt = isophthalate, phen = 1,10-phenanthroline)

A novel metal-organic coordination polymer [Cu2(phen)(ipt)2]2n·nH2O 1 has been hydrothermally synthesized and structurally characterized by single-crystal X-ray diffraction. The complex crystallizes in monoclinic, space group P21/c with a = 12.338(3), b = 12.167(3), c = 18.167(4)(A), β = 111.686(14)o, V = 2534.1(10) A)3, C28H18Cu2N2O9, Mr = 653.52, Dc = 1.713 g/cm3, μ(MoKα) = 1.740 mm-1, F(000) = 1320, Z = 4, the final R = 0.0443 and wR = 0.0853 for 3543 observed reflections (I > 2σ(I)). It exhibits a novel two-dimensional network with tetra- Cu-ipt- as building units.     

Synthesis and Crystal Structure of a Two-dimensional Framework Supramolecular Complex [Mn(phen)(DPZDA)(H_2O)]·2H_2O

1INTRODUCTION Crystal engineering has captured the interest of re-searchers these years[1,2].Especially,supramolecular chemistry based on weak interactions(hydrogen bond,π-πstacking,C–H···O interaction,ion-πinter-action and hydrophobic interaction,et al.)is one of the most hottest studying fields[3～5].So far,in this field,intensive endeavors have been paid to the synthesis of novel functional complexes possessing catalysis,non-linear optical property,magnetism and molecular recog…     

Synthesis, Crystal Structure and Magnetic Properties of Novel Three-dimensional Frameworks [Mn(PDC)H2O]n

A novel coordination polymer, [Mn(PDC)H2O]n (1) (H2PDC＝pyridine-2,3-dicarboxylic acid), has been hydrothermally synthesized and characterized by elemental analysis, IR and single crystal X-ray diffraction. X-ray single crystal structural analyses revealed that two-dimensional frameworks were formed, and further assembled into a three-dimensional supramolecular structure bridged by PDC ligands. Moreover, the magnetic study of complex 1 shows weak antiferromagnetic interaction between the neighboring Mn(II) centers within the chains and even weak ferromagnetic interactions between the Mn(II) centers in different chains.     

Hydrothermal Synthesis and Crystal Structure of Zinc(Ⅱ) Dinicotinate Complex [Zn(nic)2(H2O)4](nic=nicotinic acid):A Three-dimensional Hydrogen-bond Network

Introduction Nicotinic acid and its transition-metal comple-xes have become increasingly important due to their potential applications as cosmetics or medicines with antitumor, antibacterial and antifungal activities, and the activity in the maintenance of normal glucose metabolism[1-3], etc. A major research effort has been made to generate such materials and to study their biological activity[4-9]. But few of the previous works have directed towards the structure investigation of these metal complexes[6-9]. So, in this report we aim at testing the effect of hydrothermal synthesis on the formation of the crystal structures of crystalline [Zn(nic)2(H2O)4 ](nic=nicotinic acid).     

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.     

Synthesis and Crystal Structure of a Novel Co(II)-Nitronyl Complex [Co(IM2-Py)(PCA)(N_3)_2]

1 INTRODUCTION The design and synthesis of molecule-based mag-netic materials is one of the major subjects of mate-rials science. Nitronyl nitroxides acting as useful pa-ramagnetic building blocks have been extensively usedto assemble molecular magnetic materials in the pastfew years[1～5]. However, their weakly basic charac-ter strongly limits their coordination ability. Mean-while, the azide anion is a versatile ligand which canlink the transition metal atoms with different coor-dinatio…