On the Crystal Structure of [Cu(OH)_2(H_2O)_2(4-C_5H_4NCOOH)_2]

In their report of the crystal structure of the compound claimed to be [Cu(OH)2(H2O)2(4- C5H4NCOOH)2], the authors did not give any experimental details on the location and refinement of the water and hydroxyl hydrogen atoms[1]; they had assumed the presence of the carboxylic -CO2H unit on the basis of the infrared stretching frequency at 1700 cm-1 that is only of medium intensity. The cell constants for the compound are, in fact, identical, with those documented for tetraaquabis(isonicot…     

Synthesis, Properties and Crystal Structure of a Novel Coordinated Polymer:{(H_2en)(H_3O)[(BiPb(C_2O_4)_4(H_2O)_2)]·2(H_2O)}_n

1 INTRODUCTION It is well-known that bismuth and lead display attractive properties as promoting elements in noble metal-based catalysts[1], and thermal decomposition of ammonium metal oxalates can yield crystalline porous materials with a high surface area. This feature makes them attractive as precursors for catalysts and other nanocrystalline oxides[2]. Because of their topology, the oxalates themselves also possess inte- resting properties such as the capability of ion-exchange. The …     

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…     

Syntheses and Crystal Structures of Two Cyano-bridged Bimetallic Complexes [Ce(DMSO)_4(H_2O)_3Fe(CN)_6]·H_2O and [La(DMSO)_4(H_2O)_3Co(CN)_6]·H_2O(DMSO = Dimethylsulfoxide)

1INTRODUCTION Recently,cyano-bridged lanthanide-transition me-tal complexes have been extensively investigateddue to their potential applications as precursors in the preparation of rare earth orthoferrites,fluores-cent and magnetic materials[1].Various complexes of this system have been obtained in order to ex-plore the relations between structures and pro-perties by using different ligands,such as DMF,4,4?-bipy,and so on,to fill the coordination sites of lanthanide ions[2～9].But up to…     

Synthesis and Crystal Structure of a Novel 1D Chain-like Organic Inorganic Hybrid Rare Earth Derivative of Polyoxometalate: H_(0.5)[Sm(H_2O)_6]_(0.25)[Sm(H_2O)_5]_(0.25){[Sm(H_2O)_7][Sm(H_2O)_2-(DMSO)][SiW_(11)O_(39)]}·4.5H_2O

Polyoxometalates may be versatile inorganic building blocks for the construction of molecular-based materials. By means of their multiple coordination requirements and oxophilicity, lanthanide cations are suitable to link polyoxometalate building blocks to form new classes of materials with potentially useful magnetic and luminescent properties1-4. Peacock and Weakley studied the interactions between the [α-SiW11 O39]8? isomer and lanthanide cations5, and they reported that the [α-SiW11O39…     

Formation and Structure of [Al_(13)(μ_3-OH)_6(μ_2-OH)_6(μ_2-OH)_(12)(H_2O)_(24)]Cl_(15)·13H_2O

1 INTRODUCTION At present, the polyaluminium compounds are mainly studied by single-crystal X-ray diffraction method to obtain the components, structures and exis- tence forms of aluminium in hydrolysis system, and then hydrolysis courses and mechanisms of each hydrolytic polyaluminium cation could be further dis- closed[1～5]. Generally, the single crystals suitable for X-ray diffraction are obtained from the crystallization of polyaluminium cations into sulfates or selenates. Following …     

Crystal structure and single crystal EPR of (NH_4)_2(15-crown-5)_3[Cu(mnt)_2] and (NH_4)_2(benzo-15-crown-5)_4[Cu(mnt)_2]·0.5H_2O

The X-ray crystal structures of (NH4)2(15-crown-5)3[Cu(mnt)2] (1) and (NH4)2(benzo-15-crown-5)4- [Cu(mnt)2]·0.5H2O (2) were determined. Two single crystals are composed of distinct structures of ammonium-crown ether supramolecular cation and [Cu(mnt)2]2? anion. The triple-decker dication in complex 1 and a sandwich dimmer in complex 2 were observed. X-Band EPR studies on the single crystals of both complex 1 and complex 2 have been carried out at room temperature, which revealed that complex 2 showed a perfect hyperfine structure of Cu whereas that of complex 1 could not be observed. The principal values and direction cosines of the principal axes of the g and A tensors were computed by a least-squares fitting procedure. The spin density of Cu(II) was estimated according to the principal values of the A tensors and compared well with the results calculated based on DFT method.     

Syntheses and Crystal Structures of [Na(H_2O)](C_(17)H_(13)O_6SO_3)·2H_2O and [Ni(H_2O)_6](C_(17)H_(13)O_6SO_3)_2·4H_2O

Introduction Flavonoids exist widely in edible plants, and have pharmacological activity. They played a major role in the successful medical treatments at ancient times, and their uses have been persevered up to now.1-3 Flavonoid sulfates were found in a large number of plant species. They occupy an important position in the field of natu-ral products chemistry since they provide structures consisted of organic and inorganic components. The pharmacological assay revealed that flavonoid sulfat…     

Synthesis and Crystal Structure of Complex: [Co(cdm)_2(H_2O)_4].2H_2O (cdm=Carbamyldicyanomethanide Anion)

1 INTRODUCTION Crystal engineering and the design of solid-state architectures have recently become areas of increasing interest[1, 2]. Such crystal engineering may afford new materials with useful properties such as catalytic activity, micro-porosity, nonlinear optical activity, cooperative magnetic behavior and so on. Polynitrile-ligand is one of the ideal multi-functional ligands for crystal engineering and many complexes with polynitriles as ligands have been found to show the spe…     

An Organic-inorganic Hybrid Sandwich-type Arsenotungstate [H_2dap]_2H_2[Ni(dap)_2][Ni(dap)_2(H_2O)_2]- [Ni_4(H_2O)_2(B-α-As~VW_9O_(34))_2]·8H_2O

A new organic-inorganic hybrid sandwich-type arsenotungstate[H2dap]2H2[Ni(dap)2] [Ni(dap)2(H2O)2][Ni4(H2O)2(B-α-AsVW9O34)2]·8H2O 1 (dap = 1,2-diaminopropane) has been synthesized by the reaction of Na6[AsIII2W21O69(H2O)]·nH2O, NiCl2·6H2O and dap under hydro- thermal conditions and structurally characterized by elemental analysis, IR spectroscopy, thermo- gravimetric analysis and single-crystal X-ray diffraction. 1 crystallizes in the monoclinic space group P21/n with a = 13.5133(19), b = 19.043(3), c = 17.647(2) , β = 102.585(2)°, V = 4432.0(11) 3, T = 296(2) K, Z = 2, μ = 25.350 mm–1, GOOF = 1.058, R = 0.0353 and wR = 0.0838. The molecular unit of 1 consists of two diprotonated [H2dap]2+ cations, two protons, one four-coordinate [Ni(dap)2]2+ cation, one six-coordinate [Ni(dap)2(H2O)2]2+ cation, one classic tetra-NiII substituted sandwich-type [Ni4(H2O)2(B-α-AsVW9O34)2]10– polyoxoanion and eight lattice water molecules. Furthermore, some reported different types of transition-metal substituted sandwich-type poly- oxoanions are summarized and compared.     

Hydrothermal Synthesis and Structure of a Novel Two-dimensional Complex:[Ni_(0.5)(H_2O)_(1.5){Ni(en)_2}_3V_(18)O_(42)(Cl)]3.5H_2O

1 INTRODUCTION The crystal engineering of inorganic-organic hybrid materials has generated significant interest in their new structural architectures and potential ap- plications in the fields of photochemistry, catalysis, electromagnetism and sorption[1…     

Primary Organicamine Templated Indium Iodate (H_2en)KIn(IO_3)_6·2(H_2O) with Hydrogen-bonded Helices

The first primary organicamine templated indium iodate with the formula (H2en)KIn(IO3)6·2(H2O) was hydrothermally synthesized via reaction at 100 °C for 7 d and characterized by single-crystal X-ray diffraction and thermal analysis. The compound crystallized in a triclinic system with space group P1, a=0.69803(14) nm, b=0.70863(14) nm, c=1.2091(2) nm, α=76.417(4)°, β=79.953(4)°, γ=72.206(3)°, V=0.55012(19) nm3. Structure determination indicates that it is made up of zero-dimensional units each of which consists of [In(IO3)6]3-anion, potassium, water and ethylenediamine cation. The most striking feature of the compound is that it possesses helical hydrogen bonds formed by organic amine template, water molecules and inorganic network.     

Synthesis and Crystal Structure of a Novel Heptanuclear Ruthenium- and Sodium-containing Polyoxomolybdate [{Na(H_2O)_3}_2{Ru(dmso)_3}_2(MoO_4)_3]·_3H_2O

1 INTRODUCTION Polyoxomolybdates have been of great interest due to their unique structural varieties, associated multitude of properties and applications as catalysis, medicine and material[1, 2]. One of the most impor- tant aspects is the synthesis and investigation of the materials on polyoxomolybdates containing organo- metallic groups[3～5]. Such materials can provide molecular models for heterogeneous catalysis and display cooperative effects or bifunctional catalytic activity[6]. O…     

Synthesis, Crystal Structure and Magnetic Property of Sanwich-Type Heteropolyoxometalate Na_9[{Na(H_2O)_2}_3{Cu(H_2O)}_3(BiW_9O_(33))_2]·42H_2O

Introduction The chemistry of the sandwich-type heteropoly-oxometalates encapsulating clusters of early transition metals is current of considerable interest with respect to the application of complexes in material science, medi-cine, catalysis and fundamental perspectives.1-4 The great advantage of these complexes is the possibility of varying either the type of the metallic cluster or the het-eroatom. The proximity of the transition metals pos-sessing unpaired electrons facilitates their cou…     

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 Structure of anti-Configuration Complex [Cu(tssb)_2]·2[(H_3O)Cl]·4H_2O

1 INTRODUCTION The complexes of amino acid Schiff base have attracted considerable attention because of their bio- activities[1, 2]. Taurine is a special amino acid in be- ings, and recently the complexes of taurine conden- sation salicylaldehyde Schiff …     

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…     

Open-framework Borophosphate:(NH4)_(0.5)Fe~II_(0.5)Fe~III_(0.5)(H_2O)_2BP_2O_8·0.5H_2O

We are investigating the synthesis and properties of a new class of open framework borophosphate solids with the goal of being able to use in optical devices and magnetic materials. Only a few open-framework ferric borophosphate compounds with a chiral tetraheda-tetraheda helices, KFe(H2O)2BP2O8)H2O(1), Fe(H2O)2BP2O8H2O(2), (NH4)0.4-FeII0.55FeIII0.5(H2O)[BP2O8]0.6H2O(3) have been reported by Boy et al.1, Ylmaze et al.2 and Huang and Schfer et al.3. However, Huang and Schfer et…     

Synthesis and Structural Characterization of {[Mn(phen)_2(OAc)(H_2O)]ClO_4}_2H_2O

1 INTRODUCTION Chemistry of manganese cluster has become an attractive research field because of the involvement of manganese in several biological redox-active sys- tems[1,2], especially in the oxygen-evolving complex (OEC) of photosystem Ⅱ (PSⅡ) in green plants[3]. It was thought that the coordination environment of Mn in OEC contains O and N donors, and the bind- ing of aqua to the Mn site may be important to the oxidation of aqua for the evolution of dioxygen[4, 5]. In recent …     

Hydrothermal Synthesis and Structure of a Copper(II) Complex, [Cu(4,4''''bpy)(H_2O)_3]SO_42H_2O

1 INTRODUCTION Recently, there has been increasing interest in crystal engineering of supramolecular architectures by means of covalent bonding, hydrogen bonding or other weak intermolecular interactions[1, 2], which reflect their potential applications in host-guest che- mistry, catalysis and function materials[3～5]. The construction of such materials is mainly provided by geometry of transition metal extending through rigid ligands. The oxidation state and coordination predisposition …