Copper(II) Complex of a Urea-functionalized Pyridyl Ligand: Synthesis,Crystal Structure,and Acetate Binding Properties

A copper(II) acetate complex with a urea-functionalized pyridyl ligand, [CuL(OAc)₂]₂ · 2AcOH ( 1 ) [L = N-(3-chlorophenyl)-N'-(3-pyridyl) urea], was synthesized by the reaction of L with Cu(OAc)₂ in methanol. A zigzag-shaped hydrogen bond chain of L is obtained via urea N–H ··· N_pyridyl interactions, and a two-dimensional hydrogen bond network structure is further formed through the C–H ··· O interaction. In the complex 1 , a paddle-wheel structure is generated by Cu ··· O_acetate interactions and Cu ··· N_pyridyl interactions. Furthermore, hydrogen bonding chain structure is extended through weak C–H ··· O hydrogen bond interactions. Through ultraviolet-visible (UV/Vis) spectroscopy, the acetate binding properties of L in solution were also evaluated. Variable temperature magnetic susceptibility measurement indicates that the metal complex 1 displays antiferromagnetic coupling property.     

Mixed‐Ligand Complexes of Zinc(II) with α‐Hydroxycarboxylates and Aromatic N‐N Donor Ligands: Synthesis,Crystal Structures and Effect of Weak Interactions on their Crystal Packing

Several new two‐ligand complexes of zinc(II) with the aromatic N, N‐donor ligands 2, 2′‐bipyridine or 1, 10‐phenanthroline and one of three different α‐hydroxycarboxylates (HL′) derived of the α‐hydroxycarboxylic acids (H₂L′) (2‐methyllactic, H₂mL; mandelic, H₂M or benzilic, H₂B) were prepared. The compounds of formula [Zn(HL′)₂(NN)]·nH₂O (HL′ = HM, HB) were isolated as white powders and characterized by elemental analysis, IR spectroscopy and thermogravimetric analysis. The complexes of general formula [Zn(HL′)(NN)₂](HL′)·nH₂O (HL′ = HmL, HM) and [Zn(HB)₂(NN)₂], were obtained as single crystals and were characterized by elemental analysis, IR spectroscopy, thermogravimetric analysis and X‐ray diffractometry. In all cases, the zinc atom is in a distorted octahedral environment. In [Zn(HL′)(NN)₂](HL′)·nH₂O the α‐hydroxycarboxylato ligands behave as bidentate chelating monoanion and an α‐hydroxycarboxylate as counterion is also present. In [Zn(HB)₂(NN)₂], the monoanionic benzilato ligand behaves as monodentate through one oxygen atom of the carboxylate function. The effect of the classical and no‐classical hydrogen bonding and of the π‐π and C‐H…π interactions in the 3D supramolecular arrangement of these molecular complexes is analyzed.     

A New Dinuclear Copper (II) Complex of a Bis‐macrocyclic Ligand: Synthesis,Characterization, Crystal Structure and Magnetic Properties

A new dinuclear Cu(II) complex, [Cu₂L(N₃)₂](ClO₄)₁.₅ (OH)_4.5 · 2H₂O 0.5C₂H₅OH (1), of a bis‐macrocyclic ligand, 2,6‐bis(l,4,7,10‐tetraazacyclododecan‐10‐ylmethyl)‐methoxybenzene (L), has been synthesized, characterized and structurally determined by X‐ray diffraction analysis. Complex 1 crystallizes in orthorhombic crystal system, Pca2(l) space group with a = 1.5371(3), b = 1.6641(3), c = 3.0950(6) nm, V = 7.917(3) nm³, F_w = 904.62, Z=8, D_c= 1.529 g/cm³ and final R = 0.0568, wR = 0.1406 for 10410 observed reflections with I≥2σ (I). Both Cu(II) centers in the structure are coordinated by four nitrogen atoms of 1,4,7, 10‐tetraazacyclododecane (cyclen) and a nitrogen donor of the axial azide anion. Each Cu(II) center is in a square‐pyramidal coordination environment, and the intra‐and nearest inter‐molecular Cu? Cu nonbonding distances are 0.9855 and 0.7298 nm, respectively. Variable temperature magnetic susceptibility measurements in the range of 4.2–300 K indicate mat there exists weak intra‐ and inter‐molecular antiferromagnetic coupling between the Cu(II) centers with 27= ?4.2 cm^?1 and Θ = ?0.47 K.     

含氮配体Co、Fe配合物的合成、结构及性质

报导了四个单核Co（Ⅱ）和Fe（Ⅱ）的配合物[Co（L1）2]（ClO4)2·（CH3CN）（1）,[Fe（L1）2]（ClO4）2·（H2O）（2）,[Co（L2）]（ClO4）2（3）,以及[Fe（L2）]（ClO4）2·2H2O（4）,（其中L1＝4’-苯基-2,2’：6’,2”-三联吡啶,L2＝N,N,N-三-（2-（2-吡啶甲叉氨基）乙基）胺）的合成和性质,以及配合物1、3的晶体结构．配合物1和3的晶体都属于单斜晶系．它们的晶胞参数分别为：1a＝1．0855（4）nm,b＝1．6201（5）nm,c=2.5236（5）nm,β＝92．63（2）°,V＝4．433（1）nm3;3a=2.8351（8）nm,b＝1．0670（3）nm,c＝1．9255（5）m,β＝101．03（4）°,V＝5717（2）nm3．2和4的氧化还原电位分别为E＝0．78V和0．63V‘它们的d-d跃迁吸收最大值分别位于565和521nm处．     

咪唑桥连四氮大环双铜配合物合成和晶体结构

超氧化物歧化酶由于它能有效地消除毒性很大的O；自由基对正常细胞的侵害，防止细胞癌变与衰老·近年来日益受到重视·铜锌超氧化物歧化酶（CuZn－SOD）的活性中心具有独特的咪哩桥连的Cu口）、Zn（11）离子的结构，令人感兴趣的是用铜取代锌后而形成的四铜蛋白CllZCllZSOD仍具有催化活性［‘］．作为Cll。Cll。SOD活性中心的模拟物，一系列以咪哩桥连的双铜配合物被制备和研究＊．我们合成了以四氮大环为配体的咪哩桥连双铜配合物，以下报导此配合物的合成和晶体结构．1实验1．1配体、配合物的合成与单晶的制备1厂一二甲基4，4，71…     

Synthesis and Crystal Structure of a Novel Tetranuclear Manganese(II) Complex with a Tripodal Peptide Ligand

1 INTRODUCTION Amides play an important role in the evolution ofnature. The amidate participates in the coordinationof iron with the ligands containing biomolecules, suchas antitumor drug bleomycin[1] and nitrile hydra-tase[2]. Bleomycin is a clinically useful antitumoragent which catalyzes the cleavage of oxidative DNAand oxidizes a number of organic substrates with di-oxygen or H2O2 . This has raised more interest in [3]the coordination of amide complexes[4, . …     

Syntheses and Crystal Structures of Three Palladium（Ⅱ） Complexes with Isonitrosobenzoylacetoneimine Ligand

Three palladium (II) complexes with the isonitrosobenzoylacetoneimine (HIBI) ligand, Pd (p‐CH₃C₆H₄IBI)₂ (1), Pd (C₆H₅IBI)₂ (2) and Pd₂Cl₂ (C₆H₅CH₂IBI)₂ · CHCl₃ (3), were prepared and characterized by IR, Raman and X‐ray diffraction studies. The geometries around the palladium atoms in the complexes 1 and 2 are distorted trans‐PdN₄ square planes, and the Schiff base ligands RIBI^? are coordinated through their oximo‐nitrogen atoms and imino‐nitrogen atoms. The week Pd…H? C agostic interactions [Pd…H = 0.2764 nm] complete the hexacoordinate environment around palladium in the complex 1. The octahedral deformation of the classical square planar environment of the Pd atom is due to the week Pd…O (1b) interactions [Pd? O (1b) = 0.3157 (9) nm] in the complex 2. The complex 3 is a first example of binuclear complex with isonitrosoketoimine ligands, in which one of oximo groups is coordinated through oximo‐nitrogen and oximo‐oxygen atoms.     

Syntheses and Crystal Structures of Three Palladium(II) Complexes with Isonitrosobenzoylacetoneimine Ligand

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A Novel Macrocyclic Nickel(II) and Ferricyanide 1D Zigzag Chain: Synthesis,Crystal Structure,and Magnetic Properties

A novel cyan‐bridged macrocyclic nickel complex [{NiL¹}{Fe(bipy)(CN)₄}]2·5H₂O 1 (L¹ = 3,10‐dimethyl‐1,3,6,8,10,12‐hexaazacyclotetradecane, bipy = 2,2‐bipyridine) was synthesized and structurally characterized. The complex exhibits one‐dimensional zigzag chain structures. Each ferrous(II) ion connects two nickel(II) ions using two trans CN^? groups, and the remaining CN^? groups are terminal. Magnetic measurement shows weak ferromagnetic interaction between the nearest Ni(II) ions through the diamagnetic Fe(II) ion.     

Syntheses and Crystal Structures of Cobalt(II) and Nickel(II) Coordination Polymers with 3-Aminobenzoic Acid Ligand

1 INTRODUCTION Much research interest has been focused on metal- organic coordination polymers in past years because of the structural and topological novelty of these compounds and their potential applications as func- tional materials, such as catalyst, ion-exchange, gas sorption, optical material and molecule-based ma- gnet[1~6]. In this field, many organic bridging ligands such as bipyridine, polyaromatic carboxylate and re- lated species have been used to produce various types of met…     

Cadmium(II) Complexes with a Bulky Anthracene‐based Carboxylate Ligand: Syntheses,Crystal Structures,and Luminescent Properties

To explore the coordination possibilities of anthracene‐based ligands, three cadmium(ιι) complexes with anthracene‐9‐carboxylate ( L ) and relevant auxiliary chelating or bridging ligands were synthesized and characterized: Cd₂( L )₄(2bpy)₂(μ‐H₂O) ( 1 ), Cd₂( L )₄(phen)₂(μ‐H₂O) ( 2 ), and {[Cd₃( L )₆(4bpy)]}_∞ ( 3 ) (2bpy = 2,2′‐bipyridine, phen = 1,10‐phenanthroline, and 4bpy = 4,4′‐bipyridine). Structural analyses show that complexes 1 and 2 both take dinuclear structures by incorporating the chelating 2bpy or phen ligand, which are further interlinked by intermolecular hydrogen‐bonding, π ··· π stacking, and/or C–H ··· π supramolecular interactions to generate higher‐dimensional supramolecular frameworks. Complex 3 has a one‐dimensional (1D) ribbon‐like structure, which is further assembled into a two‐dimensional (2D) layer, and a three‐dimensional (3D) framework by the co‐effects of interchain C–H ··· O hydrogen‐bonding and C–H ··· π supramolecular interactions. Moreover, the luminescent properties of these complexes were further investigated in detail.     

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

A new dinuclear iron(Ⅲ) complex has been synthesized and structurally characterized by X-ray crystallography: [FeⅢ2(L)(C6H5COO)(SO4)(CH3OH)2]·CH3CN·CH3OH(1, H3 L = N,N'-bis(salicylidene)-1,3-diamino-2-propanol). Complex 1 belongs to orthorhombic space group Pna21 with a = 11.4400(8), b = 22.9705(2), c = 12.5712(9) , V = 3303.5(4) 3, 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 of J = 19.7 cm-1, g = 1.89 and R2 = 0.9999.     

Crystal Structure and Magnetic Properties of Copper(II) and Nickel(II) Binuclear Complexes with Bisacylhydrazones Based on 2,6‐Diformyl‐4‐methylphenol

The series of binuclear Cu(II) and Ni(II) complexes with an asymmetrical exchange fragment based on 2,6‐diformyl‐4‐methylphenol bishydrazone has been synthesized for the first time. The compositions and structures of both ligands and its complexes have been established with the data of IR, ¹H NMR, and extended X‐ray absorption fine structure (EXAFS) spectroscopical studies as well as magnetic measurements. The structure of [Ni₂L₃(μ‐Pz)] · 2CH₃OH (L = triply deprotonated form of bishydrazone, Pz = pyrazol) was confirmed by X‐ray crystallographic analysis. In this complex, the coordination environment of two nickel ions is quite different, one nickel atom is square‐planar and the other is distorted octahedral coordinated. The values of exchange parameter calculated in terms of HDVV theory have been compared with the features of an asymmetrical exchange fragment's electronic and geometrical structure.     

Solvent‐controlled Syntheses and Crystal Structures of a Pair of Novel Thiocyanate‐bridged Copper(II) Complexes Constructed from 4‐Bromo‐2‐(cyclopropyliminomethyl)phenolate

A pair of novel thiocyanate‐bridged polynuclear copper(II) complexes, [Cu₂(BCP)₂(NCS)₂]_n ( 1 ) and [Cu₂(BCP)₂(MeOH)(NCS)₂]₂ ( 2 ) [BCP = 4‐bromo‐2‐(cyclopropyliminomethyl)phenolate], have been obtained from an identical synthetic procedure and starting materials using solvents as the only independent variable. Complex 1 was synthesized and crystallized using EtOH as the solvent, while complex 2 was synthesized and crystallized using MeOH as the solvent. Both complexes show novel self‐assembled supramolecular structures in their crystals as elucidated by X‐ray analyses. The polymeric dinuclear complex 1 contains [Cu₂(BCP)₂(NCS)₂] units as the building blocks, crystallizes in the Pbca space group. The monomeric tetranuclear complex 2 contains [Cu₂(BCP)₂(MeOH)(NCS)₂] units as the building blocks, crystallizes in the P2₁/n space group.     

Syntheses,Crystal Structure,and Magnetic Property of a New Mn(II) Complex with an Aromatic N-heterocyclic Tetracarboxylic Acid Ligand

Russian Journal of Coordination Chemistry - A new 2D Mn(II) complex named as [Mn3(HL)2(H2O)6]n (I) (H4L = 3-(2,4-dicarboxyphenyl)-2,6-dicarboxypyridine) was synthesized and characterized by IR,...     

Structure and Magnetic Properties of a Dodecanuclear Twisted-Ring Iron(III) Cluster

An unprecedented nonplanar structure characterizes the complex [Fe(OCH₃)₂(dbm)]₁₂ (on the left in the picture), which contains the largest cyclic ferric cluster yet reported with chemically equivalent bridging units. It is made up of twelve high-spin, antiferromagnetically coupled iron(III ) centers and neatly reacts with Na^I or Li^I templates in organic solution to give hexairon(III ) coronates (right). Fe=•, O=○, NaI or LiI=• Hdbm=dibenzoylmethane.     

Two Manganese(II) Complexes with a Bulky Fluorene‐Based Carboxylate Ligand: Syntheses,Crystal Structures,and Luminescent Properties

To explore the coordination possibilities of fluorene‐based ligands, two manganese(II) complexes with the ligand 9,9‐dibutyl‐9H‐fluorene‐2,7‐carboxylate ( L ) were synthesized and characterized: [Mn₂( L )₂(DMF)₃]_∞ ( 1 ) and [Mn₂( L )₂(DMF)]_∞ ( 2 ). X‐ray single‐crystal diffraction analyses show that complex 1 has a two‐dimensional (2D) (4,4) structure, whereas complex 2 consits of a three‐dimensional (3D) (4,5)‐connected topology framework. The results indicate that the steric bulk of the fluorene ring in H₂ L plays an important role in the formations of 1 and 2 . Additional pyridine‐based ligands govern the formation of the final frameworks of 2 . Moreover, the luminescent properties of these complexes were briefly investigated.     

Crystalline Materials with Large Channels or Cavities – Synthesis and Crystal Structure of an Iron(III) tetra(4‐carboxyphenyl)‐porphine

Tetra(4‐carboxyphenyl)‐porphine iron(III) chloride · 2 CH₃COOH · 4 H₂O ( 1 ) was prepared via a hydrothermal synthesis approach starting from FeCl₂ and 5,10,15,20‐tetrakis‐(4‐carboxyphenyl)‐21 H,23 H‐porphine in glacial acetic acid in the presence of KOH as a base and ytterbium(III) acetate as a template. Compound 1 was characterized by single crystal X‐ray diffraction and elemental analysis. Space group: P 1, Z = 2, unit cell dimensions at 200 K: a = 9.282(2), b = 20.239(5), c = 22.239(5) Å, α = 92.49(3), β = 99.87(3), γ = 90.78(3)°, R₁ (observed) = 0.132, wR₂ (all data) = 0.395. The architecture of the structure is determined by interporphyrin hydrogen bonding. Four iron porphyrin units form a very wide open channel with dimensions of circa 15.7 Å × 15.7 Å. No interpenetrating is observed.     

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

A new complex [Zn(NIT-1'-MeBzIm)Cl2(H2O)] (NIT-1'-MeBzIm = 2-{2'-[(l'- 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) , β = 103.904(2)°, V = 1919.6(5) 3, Dc = 1.528 g/cm3, 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 and Crystal Structure of a Fumaratocopper(II) Complex with Bipyridine

The title complex [Cu₂(C₄H₂O₄)₂(bipy)₂(H₂O)₃] · 3H₂O (bipy = 2,2'-bipyridine) was prepared and its crystal structure determined by X-ray diffraction methods. Both Cu(II) atoms of the binuclear complex assume square pyramidal coordination. The fumarate groups display different coordination modes. One fumarate group bridges two Cu(II) ions to form a binuclear complex while another fumarate group terminally coordinates to a Cu(II) atom with one carboxyl group free from coordination. The terminally coordinated fumarate showed unusual disorder, which may be due to an intermolecular H-bonding interaction. Close stacking of bipy rings is observed as verified by the distance of 3.46 Å between parallel ring planes. IR spectra were assigned based on the molecular structure.