An open-framework cobalt molybdate possessing {Mo2O7} building block: hydrothermal synthesis and structural characterization of [CoMo2O7(4,4′-bipy)1.5]

The hydrothermal reaction of Co(COO)₂?·?4H₂O, MoO₃, H₃PO₄ and 4,4′-bipyridine yields bipyridine-ligated cobalt dimolybdate [CoMo₂O₇(4,4′-bipy)_1.5] (1) (4,4′-bipy?=?4,4′-bipyridine) in the triclinic system with space group of P 1 and cell parameters of a?=?7.1951(8)?Å, b?=?11.1708(17)?Å, c?=?11.4514(11)?Å, α?=?98.545(7)°, β?=?90.315(2)°, γ?=?105.777(5)°, V?=?874.88(19)?ų, and Z?=?2. Its structure consists of Co/Mo/O bimetal oxide layers with {Mo₂O₇} building blocks, linked by the coordination of 4,4′-bipy ligand with Co and Mo atoms, into a 3D porous hybrid framework.     

Synthesis,crystal structure and magnetic properties of 2D bi-layered coordination polymer

A new coordination polymer, [Ni(pydc)(H₂O)₂]?·?H₂O (1) (H₂pydc?=?pyridine-3,4-dicarboxylic acid), have been synthesized by treating Ni(II) nitrate with 3,4-pyridinedicarboxylic acid under hydrothermal conditions. The single-crystal X-ray structure reveals that 1 is a 2D bi-layered coordination polymer. Single-crystals are triclinic, space group P 1 , with a?=?7.065(3), b?=?7.812(4), c?=?9.031(4)?Å, α?=?75.568(8), β?=?68.970(8), γ?=?75.927(8)°, V?=?444.0(3)?ų, Z?=?2. Variable temperature magnetic susceptibility measurements demonstrate a ferromagnetic interaction in 1.     

Solid state structures of the chiral heterobimetallic complexes [Cu(dach)2][Pt(CN)4] · 2H2O, [Ni(dach)3][Pt(CN)4] · 2DMF · H2O,and [Pd(dach)2][Pt(CN)4] · H2O (dach = 1 R , 2 R -diaminocyclohexane)

The chiral dinuclear heterometallic complexes [Cu(dach)₂][Pt(CN)₄]?·?2H₂O (1), [Ni(dach)₃][Pt(CN)₄]?·?2DMF?·?H₂O (2), and [Pd(dach)₄][Pt(CN)₄]?·?H₂O (3) (dach?=?1R,2R-cyclohexanediamine) have been prepared and characterized by X-ray diffraction analysis. Crystal data: 1, monoclinic, P2₁, a?=?8.108(3), b?=?15.552(6), c?=?9.914(4)?Å, β?=?110.931(6)°, V?=?1167.6(8)?ų, Z?=?2, R ₁?=?0.0420, wR ₂?=?0.1122; 2, monoclinic, P2₁, a?=?13.264(11), b?=?9.285(7), c?=?16.211(13)?Å, β?=?111.640(9)°, V?=?1856(3)?ų, Z?=?2, R ₁?=?0.0276, wR ₂?=?0.0698; 3, monoclinic, P2₁, a?=?6.887(2), b?=?12.809(4), c?=?12.975(4)?Å, β?=?94.865(4)°, V?=?1140.6(6)?ų, Z?=?2, R ₁?=?0.057, wR ₂?=?0.156. In complex 1, the Pt and Cu atoms are linked by a CN bridge that presents a very bent C=N–Cu angle [136.8(8)°].     

An organic-inorganic hybrid polyoxometalate based on the dodecatungstate building block: [Ni(phen)(H2O)3]2[Ni(H2O)5][H2W12O40] · 6H2O

An organic-inorganic hybrid polyoxometalate [Ni(phen)(H₂O)₃]₂[Ni(H₂O)₅][H₂W₁₂O₄₀]?·?6H₂O (phen?=?1,10-phenanthroline) has been isolated and characterized by IR, UV, electrochemistry and single-crystal X-ray diffraction. X-ray crystallographic study indicates that the title compound is monoclinic, space group C2/c, with lattice constants a?=?21.7672(17), b?=?16.1189(12), c?=?20.7949(16)?Å, β?=?107.8440(10)°, V?=?6945.2(9)?ų, D _c?=?3.528?Mg?m^?3, F(000)?=?6600, Z?=?4, R ₁?=?0.0372, wR ₂?=?0.0845. The molecular fragment of the title compound consists of two supporting [Ni(phen)(H₂O)₃]²⁺ coordination cations, one supporting [Ni(H₂O)₅]²⁺ unit, one metatungstate polyoxoanion [H₂W₁₂O₄₀]^6? and six H₂O molecules of crystallization.     

Syntheses and structural determinations of the nine-coordinate rare earth metal: Na4[DyIII(dtpa)(H2O)]2·16H2O,Na[DyIII(edta)(H2O)3]·3.25H2O and Na3[DyIII(nta)2(H2O)]·5.5H2O

Three complexes, Na₄[Dy^III(dtpa)(H₂O)]₂?·?16H₂O, Na[Dy^III(edta)(H₂O)₃]?·?3.25H₂O and Na₃[Dy^III (nta)₂(H₂O)]?·?5.5H₂O, have been synthesized in aqueous solution and characterized by FT–IR, elemental analyses, TG–DTA and single-crystal X-ray diffraction. Na₄[Dy^III(dtpa)(H₂O)]₂?·?16H₂O crystallizes in the monoclinic system with P2₁/n space group, a?=?18.158(10)?Å, b?=?14.968(9)?Å, c?=?20.769(12)?Å, β?=?108.552(9)°, V?=?5351(5)?ų, Z?=?4, M?=?1517.87?g?mol^?1, D _c?=?1.879?g?cm^?3, μ?=?2.914?mm^?1, F(000)?=?3032, and its structure is refined to R ₁(F)?=?0.0500 for 9384 observed reflections [I?>?2σ(I)]. Na[Dy^III(edta)(H₂O)₃]?·?3.25H₂O crystallizes in the orthorhombic system with Fdd2 space group, a?=?19.338(7)?Å, b?=?35.378(13)?Å, c?=?12.137(5)?Å, β?=?90°, V?=?8303(5)?ų, Z?=?16, M?=?586.31?g?mol^?1, D _c?=?1.876?g?cm^?3, μ?=?3.690?mm^?1, F(000)?=?4632, and its structure is refined to R ₁(F)?=?0.0307 for 4027 observed reflections [I?>?2σ(I)]. Na₃[Dy^III(nta)₂(H₂O)]?·?5.5H₂O crystallizes in the orthorhombic system with Pccn space group, a?=?15.964(12)?Å, b?=?19.665(15)?Å, c?=?14.552(11)?Å, β?=?90°, V?=?4568(6)?ų, Z?=?8, M?=?724.81?g?mol^?1, D _c?=?2.102?g?cm^?3, μ?=?3.422?mm^?1, F(000)?=?2848, and its structure is refined to R ₁(F)?=?0.0449 for 4033 observed reflections [I?>?2?σ(I)]. The coordination polyhedra are tricapped trigonal prism for Na₄[Dy^III(dtpa)(H₂O)]₂?·?16H₂O and Na₃[Dy^III(nta)₂(H₂O)]?·?5.5H₂O, but monocapped square antiprism for Na[Dy^III(edta)(H₂O)₃]?·?3.25H₂O. The crystal structures of these three complexes are completely different from one another. The three-dimensional geometries of three polymers are 3-D layer-shaped structure for Na₄[Dy^III(dtpa)(H₂O)]₂?·?16H₂O, 1-D zigzag type structure for Na[Dy^III(edta)(H₂O)₃]?·?3.25H₂O and a 2-D parallelogram for Na₃[Dy^III(nta)₂(H₂O)]?·?5.5H₂O. According to thermal analyses, the collapsing temperatures are 356°C for Na₄[Dy^III(dtpa)(H₂O)]₂?·?16H₂O, 371°C for Na[Dy^III(edta)(H₂O)₃]?·?3.25H₂O and 387°C for Na₃[Dy^III(nta)₂(H₂O)]?·?5.5H₂O, which indicates that their crystal structures are very stable.     

Hydrothermal synthesis and characterization of two new arsenic–vanadate compounds with the same cluster anion [As8V14O42(H2O)]4−

Two new arsenic–vanadate compounds [Co(C₄H₁₃N₃)₂]₂[As₈V₁₄O₄₂(H₂O)]?·?3.5H₂O (1) and (C₂N₂H₉)₂(C₂N₂H₁₀)[As₈V₁₄O₄₂(H₂O)]?·?2.33H₂O (2) have been hydrothermally synthesized and characterized by X-ray single crystal diffraction, IR spectra and thermogravimetric analysis. Compound 1 crystallizes in the monoclinic space group P ₂(1)/c, a?=?24.649(9)?Å, b?=?13.364(5)?Å, c?=?22.463(8)?Å, β?=?104.008(5)°, V?=?7180(5)?ų, Z?=?4, R ₁?=?0.0787, and wR ₂?=?0.1859. Compound 2 crystallizes in rhombohedral system with space group R3c, a?=?b?=?c?=?22.2405(5)?Å, α?=?β?=?γ?=?110.4030(10)°, V?=?8163.4(3)?ų, Z?=?6, R ₁?=?0.0341 and wR ₂?=?0.0941. The structural analyses show that both compounds have the same discrete cluster anion [As₈V₁₄O₄₂(H₂O)]^4?. Moreover, in 1, the polyanions are connected through van der Waals forces to generate soft channels that are filled by [Co(C₄H₁₃N₃)₂]²⁺ cations and water. In 2, water and organic molecules link cluster anions to create the supramolecular assembly through hydrogen bonding.     

Hydrothermal synthesis,structures and characterization of two new copper(II) triphosphonate compounds

Two copper(II) triphosphonate compounds, Cu[(APTPH₄)(phen)(H₂O)]?·?2.16H₂O (1) and [Cu(APTPH₄)(2,2′-bipy)(H₂O)]?·?2.63H₂O (2), have been prepared by a low temperature hydrothermal reaction from 1-aminopropane-1,1,3-triphosphonic acid (APTPH₆), CuO and a second ligand, phen?=?1,10-phenanthroline, or 2,2′-bipy?=?2,2′-bipyridyl. These two compounds were characterized by single crystal X-ray diffraction, elemental analysis, IR and TG. Crystal data for 1: Monoclinic, space group P2₁ /c, a?=?14.4830(7)?Å, b?=?9.1721(5)?Å, c?=?16.7403(8)?Å, β?=?90.101(2)°. For compound 2: Triclinic, space group P 1, a?=?7.1215(7)?Å, b?=?10.460(2)?Å, c?=?14.671(2)?Å, α?=?82.983(2)°, β?=?83.882(2)°, γ?=?80.617(2)°. In both compounds, each Cu²⁺ ion is five-coordinate with two oxygen atoms from the triphosphonate, two nitrogen atoms from the second ligand and one water molecule, to form a distorted square-pyramidal geometry. Both complexes have 3D supramolecular structures constructed by hydrogen bonds and π–π stacking interactions.     

Syntheses,crystal structures and fluorescent properties of four one-dimensional lanthanide coordination polymers with 3-cyanobenzoato

The hydrothermal reactions of Nd(ClO₄)₃·6H₂O, Gd(ClO₄)₃·6H₂O, Dy(ClO₄)₃·6H₂O, Er(ClO₄)₃·6H₂O with 1,3-dicyanobenzene, give rise to four one-dimensional rare earth-based coordination polymers: [M(3-CNC₆H₄COO)₃(H₂O)₂] _n (where M?=?Nd (1), Gd (2), Dy (3), Er (4), 3-CNC₆H₄COO?=?3-cyanobenzoato), respectively. Their solid-state structures have been characterized by X-ray single-crystal diffraction studies. The results show that 1,3-dicyanobenzene hydrolyzed to give 3-cyanobenzoato under hydrothermal condition, and the four complexes are isomorphous. Crystal data for 1: triclinic, space group P-1, a?=?9.4063(19), b?=?11.485(2), c?=?12.616(3)?Å, α?=?66.38(3), β?=?74.01(3), γ?=?86.96(3)°, V?=?1197.9(4)?ų, Z?=?1, D _c?=?1.704?Mg?m^?3; for 2: triclinic, space group P-1, a?=?9.3712(19), b?=?11.446(2), c?=?12.627(3)?Å, α?=?65.86(3), β?=?73.89(3), γ?=?86.84(3)°, V?=?1184.8(4)?ų, Z?=?1, D _c?=?1.759?Mg?m^?3; for 3: triclinic, space group P-1, a?=?9.3425(19), b?=?11.432(2), c?=?12.703(3)?Å, α?=?65.28(3), β?=?73.80(3), γ?=?86.86(3)°, V?=?1180.6(4)?ų, Z?=?1, D _c?=?1.780?Mg?m^?3; for 4: triclinic, space group P-1, a?=?9.3425(19), b?=?11.432(2), c?=?12.703(3)?Å, α?=?65.28(3), β?=?73.80(3), γ?=?86.86(3)°, V?=?1180.6(4)?ų, Z?=?1, D _c?=?1.7794?Mg?m^?3. The fluorescence emission spectra of compounds 1 to 4 are also reported.     

Synthesis and structural determination of the first eight-coordinate rare earth metal complex with a six-member ring, (NH4)[EuIII(pdta)(H2O)] · H2O

(NH₄)[Eu^III(pdta)(H₂O)]?·?H₂O has been synthesized and characterized by infrared spectrum, fluorescence spectrum, elemental analyses and single-crystal X-ray diffraction techniques. It crystallizes in the monoclinic system with space group P2₁/n, a?=?12.7700(15)?Å, b?=?9.3885(11)?Å, c?=?14.4070(18)?Å, α?=?90°, β?=?95.950(2)°, γ?=?90°, V?=?1718.0(4)?ų, Z?=?4, M?=?508.28, D _c?=?1.965?g?cm^?3, μ?=?3.708?mm^?1, F(000)?=?1108. The structure was refined to R ₁?=?0.0238 for 3469 observed reflections (I?>?2σ(I)). The Eu^IIIN₂O₆ part in the [Eu^III(pdta)(H₂O)]^? complex anion has an eight-coordinate structure with a distorted square anti-prismatic conformation, in which six coordination positions, two nitrogen atoms and four oxygen atoms are from one pdta (=propylenediaminetetraacetic acid) ligand, the seventh position is an oxygen (O(8A)) from another pdta and the eighth coordination site is occupied by a water molecule. (NH₄)[Eu^III(pdta)(H₂O)]?·?H₂O is the first eight-coordinate complex with a six-member ring in the rare earth metal complexes with aminopolycarboxylic acid ligands.     

Synthesis and characterization of a dinuclear (Hedta)Ru(III) complex

A ruthenium(III) complex containing ethylenediaminetetraacetate (edta), [{Ru(Hedta)}₂(Pyz)]?·?8H₂O (1) (Pyz?=?pyrazine), has been synthesized by the reaction between K[Ru(Hedta)Cl]?·?1.5H₂O and pyrazine. The structure of the complex was determined by single X-ray diffraction. Complex 1 crystallizes in the triclinic space group P 1 with a?=?7.293(9)?Å, b?=?10.575(14)?Å, c?=?12.742(16)?Å, α?=?104.044(19)°, β?=?91.893(19)°, γ?=?93.35(2)°, Z?=?1. The product was also characterized by IR, UV-Vis, EPR spectrum and magnetic techniques.     

Hydrothermal synthesis and crystal structure of a metal–organic compound with unique pseudo-hexagonal water channels: [CuII(phen)(sal)]·0.5H2O (phen=1,10-phenanthroline,sal=salicylic acid)

This article presents a metal–organic compound [Cu^II(phen)(sal)]?·?0.5H₂O (1) with intriguing structural motif of 3D hexagonal water channels. Furthermore, IR, element analysis, and TGA were employed to characterize it. The TG-DTA showed that this structure is stable to 300°C. Compound 1 belongs to the hexagonal system, space group R-3, a?=?33.337(5)?Å, b?=?33.337(5)?Å, c?=?9.4599(19)?Å, γ?=?120°, V?=?9105(3)?ų, Z?=?18.     

Hydrothermal syntheses and crystal structures of two new phosphomolybdates based on an organoamine template

Two new compounds of disphosphopentamolybdate (VI), (C₆H₁₈N₂)₂[H₂P₂Mo₅O₂₃]?·?2(H₂O) (1) and (C₆H₁₈N₂)_4.5H₃[P₂Mo₅O₂₃]₂?·?6(H₂O) (2), have been synthesized under hydrothermal conditions and characterized by single-crystal X-ray diffraction. Compound 1 crystallizes in the triclinic space group P 1 with a?=?11.0863(9)?Å, b?=?11.9562(9)?Å, c?=?14.2291(19)?Å, α?=?103.0410(10)°, β?=?100.3530(10)°, γ?=?103.7390(10)°, V?=?1729.8(2)?ų, Z?=?2; compound 2 crystallizes in the triclinic space group P 1 with a?=?14.6440(13)?Å, b?=?15.9168(13)?Å, c?=?17.9795(13)?Å, α?=?80.4270(10)°, β?=?86.1180(10)°, γ?=?64.1890(10)°, V?=?3720.1(5)?ų, Z?=?2. Characterizations by elemental analysis, infrared analysis, and thermal analysis are also given. Formation of 1 and 2 indicates that pH of solution plays an important role during the synthesis.     

Syntheses,crystal structures,and antimicrobial activities of nickel(II) and cadmium(II) complexes with 4-methylsulfonyl cinnamate and diamines

Two metal complexes, [Ni^II(mscinn)₂(pda)₂] (1) and [Cd^II(mscinn)₂(dmeda)₂·2H₂O] (2) (mscinn?=?4-methylsulfonyl cinnamate, pda?=?propane-1,3-diamine, dmeda?=?N′,N′-dimethylethane-1,2-diamine), were synthesized by reacting 4-methylsulfonyl cinnamate with the diamines and metal salts. Their structures were determined by single-crystal X-ray diffraction analysis. Crystal parameters of 1: C₂₆H₃₈N₄NiO₈S₂, M?=?657.43, monoclinic, P2₁/c, a?=?16.6123(8)?Å, b?=?8.5956(4)?Å, c?=?11.2047(5)?Å, β?=?107.423(1)°, V?=?1526.54(12)?ų, Z?=?2, D _calcd?=?1.430?g?cm^?3, F(000)?=?692, μ?=?0.825?mm^?1, R ₁?=?0.0257, wR ₂?=?0.0669. Crystal data of 2: C₂₈H₄₂CdN₄O₈S_2?·?2(H₂O), M?=?775.24, monoclinic, P2₁/c, a?=?9.8278(4)?Å, b?=?11.6611(5)?Å, c?=?15.3972(7)?Å, β?=?96.195(1)°, V?=?1754.26(13)?ų, Z?=?2, D _calcd?=?1.468?g?cm^?3, F(000)?=?804, μ?=?0.798?mm^?1, R ₁?=?0.0299, wR ₂?=?0.0770. Antimicrobial activities for 1 and 2 against Escherichia coli, Pseudomonas putida, Bacillus subtilis, and Bacillus cereus had better antibacterial activity than their parent carboxylic acid against Gram-positive bacteria (B. subtilis and B. cereus). The cadmium complex of the cinnamate displayed high inhibitory activity with an MIC value of 5?µg?mL^?1 against P. putida, while the nickel complex also exhibited good inhibitory potency with an MIC value of 5?µg?mL^?1 against B. subtilis.     

Synthesis and crystal structure of a Cu(II) complex with mixed malonate/1,10-phenanthroline ligands

A Cu(II) complex with mixed ligands, [Cu₃(mal)₃(phen)₃(H₂O)₂]?·?11H₂O (mal?=?malonate, phen?=?1,10-phenanthroline) was synthesized and characterized by elemental analysis, IR, UV, electron paramagnetic resonance (EPR) and luminescence spectra and single-crystal X-ray diffraction. The complex crystallizes in the monoclinic system, space group Cc with a?=?13.1631(10)?Å, b?=?20.1089(10)?Å, c?=?20.1267(13)?Å, β?=?103.500(3)°, V?=?5180.2(6)?ų, Z?=?4, and R ₁?=?0.0476 for 7993 observed reflections. In the complex, one Cu is coordinated by a mal dianion and a phen molecule, exhibiting N₂O₂ square-planar geometry, while the other two Cu atoms are coordinated, respectively, by a mal dianion, a phen and water molecules, exhibiting N₂O₃ square pyramidal coordination geometry.     

Syntheses,characterizations, and antimicrobial activities of binuclear ruthenium(III) complexes containing 2-substituted benzimidazole derivatives

Binuclear ruthenium(III) complexes [RuX₃L]₂?·?nH₂O (X?=?Cl, L?=?L¹, L², L³; n?=?1, L⁴ and L⁵, X?=?Br; L?=?L³), [RuX₃L_1.5]₂?·?nH₂O (X?=?Br, L?=?L¹; n?=?0, L⁴; n?=?6 and L⁵; n?=?10), and [RuX₃L₂]₂ (X?=?Br, L?=?L²) have been isolated by treatment of hydrated RuX₃ (X?=?Cl/Br) in acetone with 2-(2′-aminophenylbenzimidazole) (L¹), 2-(3′-aminophenylbenzimidazole) (L²), 2-[(3′-N-salicylidinephenyl)benzimidazole] (L³), 2-(3′-pyridylbenzimidazole) (L⁴), and 2-(4′-pyridylbenzimidazole) (L⁵) in acetone. The complexes were characterized by elemental analysis, conductivity and magnetic susceptibility measurements, IR, electronic, EPR, and mass spectral studies. The complexes were dimeric; based on analytical and spectral studies, an octahedral geometry was proposed for the complexes. The synthesized complexes were screened against Gram-positive and Gram-negative bacteria and fungi.     

Hydrothermal synthesis and crystal structure of a novel luminescent europium complex of 2,5-pyridinedicarboxylic acid

A novel europium complex, Eu(Hdinic)(dinic)(H₂O)₅·4H₂O (dinic = 2,5-pyridinedicarboxylic acid), has been synthesized under hydrothermal conditions and characterized structurally by X-ray diffraction methods. The complex has a mononuclear molecular structure, is monoclinic, space group C2/c, with a?=?13.877(5), b?=?9.632(3), c?=?32.991(11)?Å, β?=?93.414(4)°, V?=?4402(2)?ų, D _c?=?1.948?Mg?m^?3, Z?=?8, F(000)?=?2576, R ₁?=?0.0320. Its photophysical properties are reported.     

Synthesis,characterization and luminescence of the tetranuclear gold cluster: [Au4{7,8-(PPh2)2-7,8-C2B9H10}2(PPh3)2]

A tetranuclear gold cluster has been synthesized by the reaction of [Au(PPh₃)NO₃] with the closo carborane diphosphine 1,2-(PPh₂)₂-1,2-C₂B₁₀H₁₀ in THF, and characterized by elemental analysis, FT-IR, ¹H and ¹³C?NMR spectroscopy and X-ray structure determination. The cluster crystallizes in the triclinic Pī, a?=?15.118(8)?Å, b?=?16.057(9)?Å, c?=?24.284(13)?Å, α?=?80.822(9)°, β?=?79.624(8)°, γ?=?81.938(8)°, Z?=?2, R ₁?=?0.0626, wR ₂?=?0.1894. A single crystal structure determination showed that four gold atoms form a tetrahedral framework. Among these four gold atoms, two were chelated by two nido carborane diphosphine [7,8-(PPh₂)₂-7,8-C₂B₉H₁₀]^? anions coming from the degradation of the initial closo ligand 1,2-(PPh₂)₂-1,2-C₂B₁₀H₁₀, while the other two were ligated to two PPh₃ groups. The luminescence of this cluster was also investigated in dichloromethane solution at room temperature.     

Synthesis,spectra and crystal structure of a dinuclear manganese(χ) complex [(NTB)Mn(μ-O)]2(ClO4)4 · 2H2O

A novel dinuclear manganese(χ) complex [(NTB)Mn(μ-O)]₂(ClO₄)₄?·?2H₂O (1) (NTB?=?tris(2-benzimidazolylmethyl) amine) has been synthesized and characterized. The crystal structure is determined by single crystal X-ray diffraction. The compound crystallizes in the monoclinic system, space group C2/c with a?=?18.3461(1), b?=?15.4170(1), c?=?21.0141(1)?Å, β?=?90.5290(1)°, V?=?5943.4(8)?ų, Z?=?4 and R ₁?=?0.0789 for 5729 observed reflections. Two manganese atoms are bridged by two oxygen atoms forming a dinuclear complex. The results of interaction between 1 and H₂O₂ indicated that hydrogen peroxide destroyed the Mn₂O₂ unit of 1.     

Crystal structure,DNA interaction,and antiproliferative activity of the cobalt(II) complex of demethylcantharate and imidazole

A new cobalt(II) complex, [Co(C₃H₄N₂)(C₈H₈O₅)(H₂O)₂]·2H₂O, of demethylcantharate(7-oxabicyclo[2,2,1]heptane-2,3-dicarboxylate, C₈H₈O₅) with imidazole has been synthesized from cobalt chloride, demethylcantharidin (NCTD) and imidazole. The complex was characterized by elemental analysis, IR, and X-ray single crystal diffraction. The complex crystallized in the monoclinic crystal system and P2₁/m space group with a?=?0.634790(10)?nm, b?=?0.963030(10)?nm, c?=?1.221770(10)?nm, α?=?90°, β?=?95.9700(10)°, γ?=?90°, V?=?0.742844(15)?nm³, M_r ?=?383.22, D_c ?=?1.713?g?cm^?3, Z?=?2, F(0?0?0)?=?398, μ?=?1.206?mm^?1, the final R?=?0.0291, and wR?=?0.0837 [I?>?2σ(I?)]. The interaction of the complex with deoxyribonucleic acid (DNA) was studied by electronic absorption spectra, fluorescence spectra, and viscosity measurements, which indicate that the complex binds to calf thymus DNA through a partially intercalative mode. The binding constant K _b for the complex was 2.62?×?10⁴?L?mol^?1. The antiproliferation activity test showed that the complex has high antiproliferative ability against human hepatoma cells SMMC7721 (with IC₅₀ being 42.8?±?0.9?µmol?L^?1) and human lung cancer cells A549 (with IC₅₀ being 65.1?±?3.2?µmol?L^?1). The inhibition rates of the complex are much higher than those of NCTD.