Syntheses, Crystal Structure and Magnetism of a Hexanuclear Copper(II) Cluster with the Unique Two-parallel Three-site Strings Configuration

Treatment of a heptadentate ligand 2,2＇-（（（pyridine-2,6-diyl-bis（methylene））- bis（（pyridin-2-ylmethyl）azanediyl））bis（methylene））diphenol （H2L） possessing pyridinyl- and phenolate groups, with three equivalents of Cu（C104）2·6H2O in methanol under base conditions, gave rise to a hexanuclear cluster complex [Cu6L2（OH）4]（C104）4·4MeCN·0.5MeOH （1）. Complex 1 crystallizes in triclinic, space group Pi with a = 12.068（12）, b = 12.567（12）, c = 16.279（16） A, α = 105.694（12）, β = 93.631（13）, γ = 112.017（11）°, V= 2166（4） A3, Z = 1,μ= 1.651 mm^-1, Dc = 1.599 Mg/m^3, T = 296（2） K, C74.5H795N14O24.5Cl4Cu6, Mr = 2086.12, F（000） = 1062.5, S = 1.061, R = 0.0521 and wR = 0.1270. In the cation of complex 1, the six copper cores are arranged into a two-parallel three-site strings configuration with each metal exhibits a slightly distorted square-pyramidal geometry, resulting from the connection of donor pyridinyi nitrogen and phenolate oxygen atoms in ligand H2L, and/or the oxygen donors in hydroxyl groups. In addition, magnetic susceptibility measurements revealed complex 1 displayed antiferromagnetic coupling.

Synthesis, Crystal Structure, and Magnetic Properties of a New Dinuclear Iron Complex with Schiff Base Ligand

A new dinuclear iron（Ill） complex has been synthesized and structurally charac- terized by X-ray crystallography： [Fem2（L）（C6HsCOO）（SO4）（CH3OH）2]·CH3CN＇CH3OH （1, H3L = N,N＇-bis（salicylidene）q,3-diamino-2-propanol）. Complex 1 belongs to orthorhombic space group Pna21 with a= 11.4400（8）, b = 22.9705（2）, c = 12.5712（9）A, V= 3303.5（4）A3, Z= 4, F（000） = 1576, Dc= 1.531 g·cm-3, Mr= 761.36,μ = 1.007 mm-1, S = 1.014, the final R= 0.0505 and wR= 0.1018. The crystal packing is stabilized by intermolecular O-H…O hydrogen bonds, forming an extended one-dimensional chain structure. The temperature dependence of magnetic susceptibility measurement shows that antiferromagnetic interaction is propagated between the metal centers. Fit as dinuclear arrangement gave parameters ofJ= 19.7 cm-1, g = 1.89 and R2 = 0.9999.

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

A new complex [Zn（NIT-1′-MeBzlm）Cl2（H2O）] （NIT-1′-MeBzlm = 2-{2′-[（1′- 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）A, β = 103.904（2）°, V = 1919.6（5）A^3, Dc = 1.528 g/cm^3, 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, Crystal Structure and Magnetic Properties of a One-dimensional Loop-like Iron(Ⅱ) Complex:[Fe(Haip)_2(H_2O)_2]_n (Haip = 5-Ammoniumisophthalato)

An iron（Ⅱ） coordination polymer, [Fe（Haip）2（H2O）2]n （1, Haip = 5-ammoniumiso- phthalato）, has been hydro/solvothermally synthesized and characterized by single-crystal X-ray diffraction, elemental analysis, infrared spectrum and magnetic measurement. Compound 1 crystalizes in monoclinic, space group P2/c with a = 6.9874（14）, b = 9.960（2）, c = 12.894（4） A, β = 117.47（2）°, Fe（C8H6NO4）2（H2O）2, Mr = 452.16, V= 796.2（3） A3, Z = 2, Dc = 1.886 g.cm-3, p = 1.017 mm-1, F（000） = 464.0, 2.71〈0〈28.42°, R = 0.0307, wR = 0.0840 and S = 1.005. Single-crystal X-ray diffraction analysis reveals that 1 features an infinite one-dimensional loop-like chain structure and Haip ligand in 1 is of zwitterionic form. Magnetic measurement results show the dominated ferromagnetic interactions among Fe11 atoms.

Synthesis, Magnetic Property and Crystal Structure of a Ytterbium-Copper Mixed Metal Complex:Yb_2Cu_3L_6·6H_2O (L=O(CH_2COO)_2)

Reaction of hydrated ytterbium nitrate and copper nitrate with diglycolic acid at pH= 7 produced a new Yb-Cu mixed metal complex, Yb2Cu3L6. 6H2O(L= O(CH2COO)2). Complex Yb2Cu3O36C2H36 (Mr= 1437. 23) crystallized in hexagonalP6/mcc (No. 192) with cell parameters of a= 14. 344 (3), c= 15. 470(7) A,V= 2757(2) A 3; Z= 2; F(000) = 1390; Dcalc.= 1- 731 g/cm3 μ(MoKa) =45. 8 cm-1. The final agreernent factors are R= 0. 077 and Rw = 0.089 for 867 observed reflections with I>3δ(I). It has been characterized by elemental analysis, IR spectrum, magnetic measurement and X-ray crystallography. In the complex, the Yb3+ ion is 9-coordinated tothree ether oxygen and six carboxylate oxygen atoms from three ligands, the copper ionis coordinated to four oxygen atoms from four carboxylate groups of four ligands andtwo water molecules. The Yb3+ ions and the Cu2+ ions are connected by the carboxylate groups of the ligands, thus resulting in the formation of the complicated networkstructure.

Synthesis and Crystal Structure of a Novel Complex [Ag(NIT3Py)_3]·(ClO_4)(H_2O)

A novel complex [Ag(NIT3Py)3]?(ClO4)(H2O) has been synthesized and structurally characterized by X-ray diffraction method. It crystallizes in the rhombohedral system, space group R 3 with a = 15.8227(17), b = 15.8227(17), c = 31.445(3) ?, γ = 120°, V = 6817.8(12) ?3, Dc = 1.370 g/cm3, Z = 6, μ = 0.566 mm-1, Mr = 937.18, F(000) = 2916, R = 0.0715, wR = 0.2115 and GOF = 1.086. The structure consists of Ag(NIT3Py)3+ cation moiety, one water molecule and one perchloric ion. The Ag(I) ion is in a trigonal planar coordination environment formed by three nitrogen atoms from three NIT3Py ligand molecules.

Synthesis, Crystal Structure and Magnetic Properties of Cobalt(II) Complex Involving Imino Nitroxide Radicals

A novel compound [Co(IM2-Py)2(NO3)]?(NO3) (IM2-Py = 2-(2?-pyridyl)-4,4,5,5- tetramethylimidazoline-1-oxyl) has been prepared and structurally characterized by X-ray diffrac- tion method. It crystallizes in orthorhombic, space group P212121 with a = 11.031(2), b = 13.492(3), c = 20.467(4) ?, V = 3046.0(11) ?3, C24H32CoN8O8, Mr = 619.51, Z = 4, Dc = 1.351 g/cm3, μ(MoKα) = 0.620 mm?1, F(000) = 1292, R = 0.0506 and wR = 0.0845 for 3752 observed reflections with I > 2σ(I). X-ray analysis reveals that the crystal structure consists of [Co(IM2- Py)2(NO3)]+ moiety and a NO3 anion. The cobalt(II) ion is six-coordinated with a distorted octahedral geometry. Tempera- ? ture dependence of susceptibility measurements show that there exist an antiferromagnetic inter- action in the compound.

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 bytwo 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. Themagnetic measurement indicates that weak ferromagnetic interaction （zJ＇ = 0.038（5）） between the Cu^2＋ 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 New [Mn_2Ni_2] Cubane Complex

A new Mn2Ni2 cubane complex has been synthesized and characterized by single-crystal X-ray diffraction,FT IR spectra and elemental analysis.The title compound [MnIII2NiII2（hmp）4（N3）4（O2CR）2]（hmp-is the anion of 2-pyridinemethanol and O2CR-is α-na-phthaleneacetate）crystallizes in the monoclinic system,space group P21/c with a = 10.519（5）,b = 22.109（10）,c = 23.235（9）,β = 106.096（17）o,C48H42Mn2N16Ni2O8,Mr = 1198.28,V = 5192（4）3,Dc = 1.533 g/cm3,F（000）= 2448,μ = 1.258 cm1,Z = 4,the final R = 0.0875 and wR = 0.2020 for 3398 reflections with I 2σ（I）.X-ray diffraction analysis reveals that each Mn（III）center is octahedrally coordinated by two nitrogen atoms of azide anions and three oxygen atoms from three 2-pyridinemethanol anion ligands together with one oxygen atom from naphthaleneacetate.Each Ni（II）is octahedrally coordinated by two nitrogen atoms of 2-pyridinemethanol anion ligands as well as three oxygen atoms from three 2-pyridinemethanol anion ligands and one oxygen atom from naphthaleneacetate.

Dinuclear Nickel(Ⅱ) Complex with a Rare Ni(μ_2-O)_3Ni Core: Crystal Structure and Magnetic Studies

The first triple μ2-O-bridged dinuclear Ni（II） complex, [Ni2（Flu）3]（ClO4）·（H2O） （1, HFlu = 2-（2′,4′-difluorophenyl）-1,3-bis（1,2,4-triazol-1-yl）-propan-2-ol）, has been synthesized and structurally and magnetically characterized. Complex 1 crystallizes in monoclinic, space group P21/n with a = 12.7143（3）, b = 21.3392（6）, c = 17.6497（5）, β = 106.142（2）o, V = 4599.8（2）3, Z = 4, μ（MoKα） = 0.975 mm-1, Dc = 1.662 g/cm3, GOF = 0.83, the final R （I 〉 2σ（I）） = 0.0503 and wR （all data） = 0.1288. In 1, three Flu anions encapsulate two nickel（II） ions bridged by three deprotonated μ2-O groups. The central alkoxo and terminal triazolyl group chelate one nickel（II） in a six-membered boat configuration. Variable temperature magnetic susceptibilities show an intramolecular anti-ferromagnetic interaction between the Ni（II） ions with J = -26.7（3） cm-1.

Syntheses, Crystal Structures and Magnetic Properties of a New Nitronyl Nitroxide Radical and Its Cu(Ⅱ) Complex

A new compound （NIT-mNO2 = 4,4,5,5-tetramethylimidazoline-2-yl-（2＇-chlor-5＇- nitrophenyl）-3-oxide-l-oxyl） 1 and its complex （Cu（NIT-mNO2）（hfac）2） 2 have been synthesized and structurally and magnetically characterized. Complex 1 crystallizes in monoclinic, space group P211n with a = 10.6798（9）, b = 11.2705（9）, c = 12.9559（10）A, β = 107.3770（10）°, V = 1488.3（2） A^3, C13H15ClN3O4, Mr = 312.73, Z = 4, Dc = 1.396 g/cm^3, g（MoKa） = 0.276 mm^-1, F（000） = 652, the final R = 0.0606 and wR = 0.1773 for 3405 independent reflections with Rint = 0.0203. The nitronyl nitroxide unit （imidazoline ring） is not coplanar with the phenyl ring with the dihedral angle between them of 55.75°. The compound results in a 1-D zig-zag chain structure by intermolecular H-bond interaction. Compound 2 crystallizes in triclinic, space group Pi with a = 10.3699（10）, b = 10.6286（11）, c = 15.1683（15）A, a = 77.5330（10）, ,β = 773080（10）, y = 87.3420（10）＊, V = 1592.5（3） A^3, C23HITCIFI2N3O8Cu, Mr = 790.39, Z = 2, Dc = 1.648 g/cm^3, μ（MoKa） = 0.888 mm^-1, F（000） = 788, the final R = 0.0793 and wR = 0.2153 for 5794 independent reflections with Rint = 0.0196. The Cu（Ⅱ） ion is located at a center of symmetry, and each Cu（Ⅱ） is surrounded by six oxygen atoms at the vertices of a distorted tetragonal octahedron. Four of the six oxygen atoms belong to two hfac ligands and occupy the equatorial coordination sites, while the other two of NIT-mNO2 act as μ-1,5 bridge between the Cu（Ⅱ） ion, thus forming a 1-D chain structure. The magnetic susceptibility data indicate intermolecular antiferromagnetic interactions between compound 1 and intrachain ferromagnetic behaviors.

Synthesis,Structure and Magnetism of Two Cu(Ⅱ) 4,5-Dichlorophthalate Complexes

Two 4,5-dichlorophthalate-based metal complexes, {[Cu（bipy）（dcpa）].H2O}n, （1） and {[Cu2Coipy）2（Hdcpa）3]·H2O·C2H5OH.Hdcpa} （2, H2dcpa = 4,5-dichlorophthalic acid and bipy = 2,2＇-bipyridine）, were synthesized and characterized structurally and magnetically. Complex 1 is of orthorhombic system, space group Fdd2 with a = 20.5821（8）, b = 20.9013（12）, c = 17.0270（7） A, V= 7324.9（6） A3, Dc = 1.707 g/cm3, Mr = 470.74, Z = 16, F（000） = 3792, p = 1.519 mm^-1, the final R = 0.0223 and wR = 0.0549 for 9239 observed reflections with I〉 2σ（I）. Complex 2 crystallizes in triclinic, space group P1 with a = 14.1439（12）, b = 14.2981（12）, c = 15.1054（14） A, a = 72.121（2）, β = 77.703（2）,γ = 81.829（2）°, V= 2830.9（4） A3, Dc = 1.689 g/cm3, M,. = 1439.55, Z = 2, F（000） = 1452,μ = 1.207 mm^-1, the final R = 0.0536 and wR = 0.0981 for 16422 observed reflections with 1 〉 2σ（I）. Complex 1 exhibits a diamond-like framework with centrosymmetric binuclear subunits extended by pairs of doubly deprotonated dcpa2- linkers. By contrast, 2 is an asymmetric binuclear entity bridged by carboxylate group of mono deprotonated Hdcpa- ligands. Weak anti- and ferromagnetic interactions are respectively mediated in the carboxylate aggregated binuclear subunits of 1 and 2.

Hydrothermal Synthesis, Crystal Structure and Magnetic Property of a Novel Pentanuclear Copper(II) Complex:[Cu_5(SIP)_2(HSIP)_2(H_2O)_(18)](H_2O)_5

The pentanuclear complex, [Cu5（SIP）2（HSIP）2（H2O）18]（H2O）5 （H3SIP = 5-sulfoisophthalic acid）, has been synthesized by the hydrothermal reaction of CuCI2 with NaH2SIP at 160 ℃, and characterized by single-crystal X-ray diffraction and IR spectrum. The crystal of the complex crystallizes in a triclinic system, space group P^-1, with a = 7.0018（5）, b = 11.9725（8）, c = 19.0424（13）A^°, α = 78.8540（10）, β = 85.1710（10）, γ = 83.6080（10）°, V = 1553.24（19）A^°^3 Z = 1, C32H60O51S4Cu5, Mr= 1706.74, Dc= 1.825 g/cm^3,μ = 1.937 mm^-1, F（000） = 869, the final R = 0.0709 and wR = 0.1503 for 4235 observed reflections with I 〉 2σ（I）. The five Cu^2＋ ions are connected by two symmetry-related tddentate SIP^3- ligands and charge-balanced by two monodentate HSIP^2- ligands, giving a discrete pentanuclear structure. The pentanuclear copper molecules are linked by hydrogen bonds to form a three-dimensional supramolecular structure. The temperature-dependent magnetic susceptibility data revealed weak ferromagnetic magnetic interactions between the Cu^2＋ ions.

Syntheses, Crystal Structures and Magnetic Properties of Two Lanthanide Mononuclear Complexes

Two isostructural lanthanide complexes, [Tb(salen)2]3·3C2H9N2·4CH4O(1) and [Er(salen)2]3·3C2H9N2·2CH4O(2), where H2 salen = N,N'-bis(3-methoxysalicylidene)ethylene-1,2-diamine, have been in situ synthesized under solvothermal conditions and characterized by IR, elemental analysis, powder and single-crystal X-ray diffraction analysis, and magnetic analysis. Single-crystal X-ray diffraction indicates that the complexes crystallize in monoclinic C121 space group. Each lanthanide center is coordinated with four oxygen and four nitrogen atoms from two salen^2- ligands, forming distorted square antiprism geometry. Both 1 and 2 exhibit obvious slow magnetization relaxation under an applied 2 kOe magnetic field.

Hydrothermal Synthesis, Crystal Structure and Magnetic Properties of a Novel Zero-dimensional Manganese(Ⅱ) Complex with 2,2′-Diphenic Acid and 1,10-Phenanthroline Ligands

A novel metal-organic coordination polymer [Mn3（2,2′-dipha）3（phen）6]n·3nH2O （2,2′-dipha = 2,2′-diphenic acid, phen = 1,10-phenanthroline） 1 has been hydrothermally synthesized and structurally characterized by single-crystal X-ray diffraction, elemental analyses, IR spectroscopy, and magnetic susceptibility measurements. The crystal crystallizes in triclinic, space group P1 with a = 16.921（5）, b = 18.307（5）, c = 18.450（5）A , α = 113.369（5）, β = 108.529（5）, γ = 102.984（5）°, V = 4553（2）A^ 3, C114H72Mn3N12O14.25, Mr = 2002.66, Dc = 1.461 g/cm^3, μ（MoKα） = 0.488 mm^-1, the final F（000） = 2058, Z = 2, R = 0.0491 and wR = 0.0980 for 9087 observed reflections （I 〉 2σ（I））. In the crystal structure, the manganese atom is six-coordinated with two carboxylate oxygen atoms from different carboxylate groups of the same dipha and four nitrogen atoms from two different phen ligands, showing a slightly distorted octahedral geometry. Fur- thermore, it exhibits a zero-dimensional structure with dipha-Mn-phen- as building units. Variable- temperature magnetic measure shows an overall anti-ferromagnetic behavior for compound 1.

Synthesis, Crystal Structure and Magnetic Property of Disodium Biscarbonato cobaltate(Ⅱ) Tetrahydrate, Na_2Co(CO_3)_2·4H_2O

The title compound, Na 2Co(CO 3) 2·4H 2O, was synthesized by dropwise addition of 1.0 mL of 1 mol/L Co(CH 3COO) 2 to 50 mL of aqueous solution containing 7.0 g(66.0 mmol) of Na 2CO 3 and 2.5 g(29.8 mmol) of NaHCO 3 under stirring. A rose colored rhombohedral crystal grew by the slow evaporation of the solution of the title compoud at room temperature. The crystal structure was established on the basis of the single crystal X ray diffraction data. Na 2Co(CO 3) 2·4H 2O crystallizes in the monoclinic space group C2/c with a =0.856 6(1) nm, b =0.714 6(1) nm, c = 1 438 7(2) nm, β =97.59(1)° , V =0.873 0(2) nm 3 , D x=2.260 g/cm 3, F (000)=596, M r=296 99, μ (Mo K α)=21.06 cm -1 , Z =4 and the final R(F) =0.032 and wR(F 2) =0.068 on the basis of 947 reflections ( F 2 ≥ 2σ(F 0 2)). The crystal consists of H 2O molecules, Na + ions and 2D 2 ∞[Co(CO 3) 2] 2- layers extending parallel to (001). H 2O molecules and Na + cations are located between the 2D layers. Each Co atom is tetrahedrally coordinated by four O atoms from four CO 2- 3 groups with d (Co\_O)=0.206 5(2) nm, 0.207 6(2) nm and the angle of O\_Co\_O is in the range of 97.7(1)°—128.5(1)°. The CO 2- 3 group bridging two Co atoms via two O atoms deviates from D 3h symmetry with d (C\_O)=0.127 2(3)\_0.129 9(3) nm and the angle of O\_C\_O is in the range of 119.5(2)°\_123.4(2)°. Each Na atom, with two close Na neighbours at 0.338 4(2) nm and 0 346 7(2) nm, respectively, is octahedrally coordinated by six O atoms from four H 2O molecules and two carbonate groups belonging to two layers with d (Na\_O)=0.232 7(2)\_0.241 1(2) nm. Of two crystallographically different H 2O molecules, one forms hydrogen bonds to two CO 3 2- groups of one 2D layer, and the other to those from two different 2D layers. Na 2Co(CO 3) 2·4H 2O is antiferromagnetic below 16 K, and between 30\_300 K its magnetic behaviour obeys Curie Weiss law χ m(cm 3·mol -1 )=2.625/( T -12.1) with μ eff =4.5 B.M. at 298 K.

Hydrothermal Synthesis, Crystal Structure, Magnetic Properties and Network Topology of a Novel Binuclear Co(Ⅱ) Coordination Polymer_∞~1[Co_2(4,4'-bpy)_2(L)_4](bpy = Bipyridine, HL = 2-Fluorbenzoic Acid)

One novel binuclear Co（Ⅱ） coordination polymer ∞ [Co2（4,4＇-bpy）2（L）4] （1, bpy = bipyridine, HL = 2-fluorbenzoic acid） has been hydrothermally synthesized and structurally characterized by elemental analysis, IR and X-ray single-crystal diffraction. Complex 1 crystallizes in the monoclinic system, space group P21/c with a = 11.163（2）, b = 21.943（4）, c = 9.6381（19） A, β = 113.92（3）°, V= 2158.2（7） A3, Z= 4, Dc = 1.518 g/cm^3, Mr = 493.31, F（000） =1004, R = 0.0303 and wR = 0.0808 for 3614 observed reflections （I〉 2σ（I））. Complex I exhibits a 3D Schlafli symbol （4.62）（4.66.83） topological framework, and the magnetic characterization shows weak antiferromagnetic coupling exchange between two Co ions.

Crystal structure and magnetism of the binuclear Gd(Ⅲ) complex Gd_2(C_12H_8N_2)_2(C_6H_5COO)_6

In the medium of H2O, C2H5OH and HAC, the reaction of Gd(NO3)3-6H2O with C6H5COONa and C12H8N2 produced a novel binuclear Gd(Ⅲ) complex in formula [Gd2(C12H8N2)2 (C6H5COO)6]. Crystallographic data: crystal system, triclinic; space group, P l ; unit celi dimensions, α=1.191 9(2) nm, b =1.244 2(2) nm, c = 1.080 4(2) nm, α = 93.57(3)°, β= 113.33(3)°, y= 105.06(3)°, Z =1. The final R = 0.037 6. The magnetic measurement of the crystal powder in the temperature region of l .5-300 K shows that this complex possesses antifer- romagnetic property with fitting magnetic parameters .J = -0.471 and g =1.975.

SYNTHESIS,CRYSTAL STRUCTURE AND MAGNETISM OF THE COMPLEX:GdFe(CN)_64H_2O

Abstract: a novel tlhree dimenslonal network complex polymer,namely, GdF6 (CN)6. 4H2O; has been synthesized from water solntion of gadollinium chloride and potassium ferricyanide, The complex erystalized in the monoclinie system, space group c2; with a=12. 759 (6) b=7. 404 (1). c=13. 564 (5) A,z=4. β=90. 22 (3), Mr=441. 33,De=2. 28g/cm2, μ(Mo Kcr)=38. 36cm-1, F (000)=832, R=0. 065 for 1048 independent observed reflections. The coordinated of Fe (111) ion and Gd (111) ion are distorted octahedron and 4-capped trigonal prism, respectively. The varible- temperature magnetlc suscepttbility of the complex was measured over 4.2-300K, giving the exchange intergral 2J=-138.2cm-1,and indlcation that a mediate antiferromagnetic spinsxchange interaction between the Fe (111) ions and the Gd (111) lons within oach binuclear unit.

Synthesis,Crystal Structures and Intermolecular Magnetic Coupling Mechanism of the Mononuclear Radical Complex[1-N-methyl-1,10-phenanthrolium][Ni(dmit)_2]

The mononuclear radical anionic complex [1-N-methyl-1,10-phenanthrolium][Ni（dmit）2]（dmit = 1,3-dithiole-2-thione-4,5-dithiolate） with a new countercation has been prepared and its crystal structure was determined by X-ray crystallography at 298 and 80 K. In the mononuclear radical anionic complex, the nickel ion assumes a slightly distorted square-planar geometry. There are two and three kinds of intermolecular interactions between adjacent mononuclear radical anionic complexes in the crystal at 298 and 80 K, respectively（i.e., Models A and B at 298 K; and Models C, D and E at 80 K）. The variable-temperature magnetic moments indicate a strong antiferromagnetic interaction between the adjacent mononuclear radical anionic complexes, and the theoretical calculations reveal that the stronger antiferromagnetic coupling strength at lower temperature should be contributed to the larger overlap integrals between the short contact atoms. This study is the first to reveal the mechanism of stronger magnetic coupling strength at lower temperature for a mononuclear radical anionic nickel complex with dmit as the ligand.