Synthesis and Crystal Structure of Co(DMSO)2(H2O)2(SCN)2 with One-dimensional Hydrogen-bonded Structure (DMSO = Dimethylsulfoxide)

1 INTRODUCTION The development of supramolecular complexes has recently attracted considerable attention due to the fundamental interest in self-assembly processes of transition-metal complexes, supramolecular che- mistry and crystal engineering[1]. The ultimate goal is to gain control in order to direct their function[2]. Self-assembly through coordination and nonco- valent interactions such as hydrogen bonds, aromatic π···π stacking, steric repulsion and Van der Waals forces leads …     

Synthesis,Crystal Structure and Electrochemical Property of a Dinuclear Manganese（Ⅱ） Complex [Mn_2（C_（12）H_8N_2）_4（C_8H_5O_4）_2]（C_8H_4O_4）·H_2O

One dinuclear manganese(II)complex [Mn2(C12H8N2)4(C8H5O4)2](C8H4O4)·H2O has been synthesized with o-phthalic acid and 1,10-phenanthroline.The crystal structure was determined by X-ray diffraction.The crystal belongs to the triclinic system,space group P1 with a = 1.17767(3),b = 1.22292(2),c = 1.35860(3)nm,α = 110.5300(10),β = 97.6140(10),γ = 93.7300(10)o,V = 1.80307(7)nm3,Dc = 1.404 g/cm3,Z = 2,F(000)= 784,the final GOOF = 1.047,R = 0.0398 and wR = 0.1038.The crystal structure of the title complex consists of one [Mn2(C12H8N2)4(C8H5O4)2]2+ cation,one uncoordinate o-phthalate anion(C8H4O4)2-and one uncoordinate water molecule.In [Mn2(C12H8N2)4(C8H5O4)2]2+,the central Mn(II)ion is coordinated by four nitrogen atoms and two oxygen atoms to give a distorted octahedral coordination geometry.The electrochemical property of the title complex was also studied.     

Synthesis and Crystal Structure of a Novel Hetero-bimetallic Complex with a Three-dimensional Network Structure: Bis(malonato)tetra(aqua)calcum(II)cobalt(II)

1INTRODUCTION There has been considerable interest in the designand synthesis of transition metal complexes withcarboxylate ligands in coordination chemistry due tothe fact that this type of complexes has potentialapplications in molecule-based magnets,catalysis,supramolecular chemistry and biological systems[1～3].As an important flexibility dicarboxylate ligand,malonate dianion may act as momodentate,chelatedbidentate and tridentate bridging ligands to formvarious1D,2D and3D structures[…     

Three-dimensional open-framework cobalt(II) phosphates by novel routes

Two new three-dimensional open-framework cobalt phosphates, [C2N2H10]2[Co4(PO4)4]H2O, I, and [C4N3H16]3-[Co6(PO4)5(HPO4)3]H2O, II, have been prepared by the reaction of amine phosphates with Co2+ salts. I could also be prepared by the reaction of the cobalt tris amine complex with H3PO4. The crystal data for I and II are as follows: phosphate I, orthorhombic, space group P2(1)2(1)2(1) (no. 19), a = 10.277 (1) A, b = 10.302 (1) A, c = 18.836 (1) A, V = 1994.2 (2) A3, Z = 4; phosphate II, monoclinic, space group P2(1)/c (No. 14), a = 31.950 (1) A, b = 8.360 (1) A, c = 15.920 (1) A, beta = 96.6 (1) degrees V = 4223.4 (2) A3, Z = 4. The structures of both I and II are constructed from alternating CoO4 and PO4 tetrahedra. The connectivity leads to the formation of eight-membered channels in all the crystallographic directions resembling the aluminosilicate zeolite, merlinoite in the case of I and to a rather large, one-dimensional 16-membered channel in II. Strong hydrogen-bond interactions involving the amine and framework oxygen are present in both I and II.     

Synthesis and Crystal Structure of catena-Poly[bis-(benzimidazole)cobalt(II) μ-Phthalato]

1 INTRODUCTION Chemists have recognized that intermolecular inter- actions are the basis of functional properties for most molecular assembles, and detailed understan- ding of non-covalent chemistry is therefore funda- mental to interpreting and predicting the relation- ship between structure and function. Among intermo- lecular interactions, the π-π stacking between aro- matic rings is correlated with the electron transfer process in some biological systems[1], and the nature of π-π s…     

Synthesis and Crystal Structure of a Novel Two-dimensional Supramolecular Complex Ni（C6H7N）2（SCN）2（H2O）2

1 INTRODUCTION Supramolecular chemistry is based on the notion of creating novel structural and functional extended systems using noncovalent interactions between prefabricated molecular or ionic building blocks[1]. More recently, the design of supramolecular architec- tures by self-assembly of small building blocks has become a major research area[2, 3] due to their poten- tial applications in many fields such as selective clathration[4, 5], molecular recognition[6, 7], catalysis[8, 9] a…     

Hydrothermal Synthesis and Structure of a Novel Binuclear Molybdenum Complex with Oxalate Ligand,(enH2){NH4[Co(en)3][Mo2O7(C2O4)]}2·2H2O

The title complex (enH2){NH4[Co(en)3][Mo2O7(C2O4)]}2·2H2O (C18H70Co2Mo4- N16O24, Mr = 1396.52) was obtained under hydrothermal conditions and its crystal structure has been determined by single-crystal X-ray diffraction. It crystallizes in the monoclinic system, space group P21/c with a = 17.8023(8), b = 7.7527(4), c = 16.9781(4)A,β= 103.878(7)°, V = 2274.8(2) A3, Dc = 2.039 g/cm3, Z = 2,μ(MoKα) = 1.878 mm-1 and F(000) = 1408. The final R = 0.0410 and Wr = 0.1070 for 4065 observed reflections with I≥2σ(I). The crystal structure is composed of bi- nuclear [Mo2O7(C2O4)]4- anions, complex [Co(en)3]2+ cations, protonated ethylenediamine cations, ammonium cations and crystal water molecules, which are held together into a three-dimensional network via hydrogen-bonding interactions. The binuclear structure of [Mo2O7(C2O4)]4- consist of one MoO4 and one MoO6 octahedra through sharing a bridging oxygen atom, where the oxalate ligand acts as a bidentate ligand coordinating to the octahedral molybdenum atom though two deprotonated corboxylate groups.     

Synthesis and Crystal Structure of a Co（ Ⅱ ） Complex with Taurine-5-methyl-2-hydroxyisophthalaldehyde Schiff Bases [Co（C13H16N2O7S2）（H2O）3]2·H2O

The title complex [CoL（H20）3]2·H2O （C26H46N4O21S4CO2）, where L = taurine-5- methyl-2-hydroxyisophthalaldehydes, has been synthesized and characterized by IR and X-ray diffraction analysis. The crystal of the complex belongs to the triclinic system, space group P1, with a = 11.197（4）, b = 13.309（5）, c = 14.486（5） ]A, a = 78.827（13）,β = 70.547（11）, γ = 81.058（13）°, Mr = 996.77, S = 1.08, V= 1987.2（13） A3, Z = 2, Dc = 1.666 g/cm3, F（000） = 1032,μ = 1.131 mm^-1, R = 0.0633 and wR = 0.1293. According to the structural analysis, the Co（ Ⅱ ） ion adopts a slightly distorted six-coordinated octahedral geometry. One N atom of the Schiff base of each molecule was hydrogenated to form hydrogen bond with O atom. Two coterminous molecules packed in one crystal water molecule are linked by intermolecular hydrogen bonds, thus generating an infinite chain constructed by hydrogen bonds.     

A Co(Ⅱ) 3,5-Diaminobenzoate Coordination Polymer

The title compound, [Co(C7N2H7O2)2]n·nH2O 1, was synthesized via the hydrothermal reaction of Co(Oac)2 with 3,5-diaminobenzoic acid and characterized by elemental analysis and infrared spectra. The crystal crystallizes in the monoclinic system, space group P21/c with a =7.456(3), b = 9.972(3), c = 10.391 (3) (A), β= 106.435(2)°, V = 741.0(4) (A)3, Z = 2, C14H16CoN4O5, Mr = 379.24, Dc = 1.700 g/cm3, F(000) = 390 and μ(MoKa) = 1.194 mm-1. The final R = 0.0324 and wR = 0.0886 for 1516 observed reflections with I＞2σ(I) and R = 0.0337 and wR = 0.0899 for all data. X-ray diffraction studies reveal that the title compound has an interesting 3D microporous architecture with guest water molecules inside the channel. Each Co atom, adopting a distorted octahedral geometry, is coordinated by two O atoms from two 3,5-diaminobenzoate ligands and four N atoms from four symmetry-related 3,5-diaminobenzoate ligands.     

Synthesis and Extended 3D Hydrogen-bonded Structure of Complex Tris(violurato-N,O) Cobalt(III) Hexahydrate

1 INTRODUCTION The study of cobalt complexes plays an important role in pharmacology, coordination chemistry and bio- inorganic chemistry. The recent work on organoco- baloximes shows that it has outgrown its initial rele- vance of Vitamin B12 model and acquired an indepen- dent research field because of its rich chemistry[1~4]. At the same time, research on the complexes with oxime ligands has considerable interest owning to their special catalytic, electric, magnetic properties and bio…     

Synthesis and Crystal Structure of catena-Poly[bis-(benzimidazole)cobalt(Ⅱ) μ- Phthalato]

The title polymeric complex [Co(C8H4O4)(C7H6N2)2]n has been prepared and its crystal structure was determined by X-ray diffraction method. The crystal belongs to monoclinic,space group C2/c with a = 7.7865(12), b = 20.4215(18), c = 13.4880(14) (A),β = 103.298(2)°, V = 2087.3(4) (A)3, Mr = 459.32, Z = 4, Dc= 1.462 g/cm3,μ = 0.859 mm-1, F(000) = 940, R = 0.0636 and wR = 0.1639 for 1278 observed reflections (I ＞ 2σ(Ⅰ)). The complex assumes a distorted tetrahedral coordination geometry, formed by two phthalate anions and two benzimidazoles (bzim). The phthalate anions bridge the neighboring Co(Ⅱ) atoms to form the polymeric chains. The centroid distance of 3.471(3) (A) between the parallel bzim rings of adjacent polymeric chains suggests the existence of π-π stacking.     

Synthesis and Crystal Structure of [Cu2（DMF）（H2O）（C7H4NO4）2（C7H3NO4）]2·3.5DMF

A new copper（H） complex [Cu2（DMF）（H2O）（C7H4NO4）2（C7H3NO4）]2-3.5DMF has been synthesized and its structure was determined by single-crystal X-ray diffraction. The crystal is of triclinic, space group P1^- with a = 10.722（3）, b = 18.170（4）, c = 20.923（7）A,α = 105.297（9）, β = 101.701（10）, γ = 105.74（1）°, V= 3615（1）A^3, Z = 2, C58.50H64.50Cu4N1l.50O3150, Mr = 1686.90, Dc = 1.550 g/cm^3,μ= 1.255 mm^-1, F（000） = 1728.00, T = 150（2） K, the final R = 0.0640 and wR = 0.173 for 11310 observed reflections with I 〉 2σ（I）. In the crystal, each formular unit consists of two dinuclear copper（H） compounds, between which the O-H…O hydrogen bonds exist. Each Cu^Ⅱ cation is six-coordinated in an octahedral geometry. The intermolecular hydrogenbonding interaction leads to a 3-D framework of the title compound.     

Crystal Structure Analysis of Tetras[(-tris(ethylenediamine) cobalt(Ⅲ)] tris[hexacyanoruthenate(Ⅱ)]

The crystal of the title compound, [Co(en)3]4[Ru(CN)6]3(10H2O (en = ethylenediamine, C2H8N2), is formed from the octahedral cations of Co(en)33+ and anions of Ru(CN)64-. The Co atom is coordinated to six nitrogen atoms of ethylenediamines in a ( configuration and the Ru atom is also coordinated to six carbon atoms of cyanides. There is no bridging-cyanide between the metal ions in the structure. The crystal is of monoclinic, space group P21/c with a = 17.686(4), b = 14.496(4), c = 18.019(7) (A。）, β = 116.07(2), V = 4150(2) (A。）3, Z = 2, Mr = 1908.60, C42H116N42O10Co4Ru3, ((MoK() = 1.391 mm-1, Dc = 1.527 g/cm3, F(000) = 2084, R = 0.0520 and wR = 0.1070 for 5443 observed reflections (I > 2((I)).     

Multiform Host Lattices in the Layer Type Inclusion Compound of Thiourea with Tetrabutylammonium Salicylate and Water

1 INTRODUCTION As a critical aspect of crystal engineering, self-assembling of organic and inorganic molecules hasopened a new world for designing novel solid mate-rials with desired physical and chemical characte-ristics[1]. Stable crystal packing form can be obtainedas the solvate metal ions are included in the “box”resulting from molecular interaction of the organicions[2]. Ideal structural models can be obtained byspecial functional groups in the special inclusioncompounds, hydrogen …     

配合物(n-Bu)2Sn(C10H8N2O4)(C2H5OH)的合成和晶体结构

以2-羰基丙酸水杨酰腙作为配体与二正丁基氧化锡(Ⅳ)在苯/乙醇混合溶剂中反应, 合成了新型配合物(n-Bu)2Sn(C10H8N2O4)(C2H5OH)(C10H8N2O42为2-羰基丙酸水杨酰腙负二价离子)。用单晶X-射线衍射分析法测定了该配合物的晶体结构。晶体属四方晶系, I41/a空间群, 晶胞参数a = 2.5113(7), b = 2.5113(7), c = 1.5062(6) nm, V = 9.499(5) nm3, Z = 16, Dc = 1.396 g/cm3, m(MoKa) = 1.105 mm1, F (000) = 4096。对于2499 (I >2s(I))个可观测点, 最终可靠因子R = 0.0349, wR = 0.0793。在该配合物的分子结构中, 中心锡原子与3个O原子、1个N原子和2个C原子形成扭曲的八面体几何构型, 其中3个O原子和1个N原子为赤道配位原子, 而CSnC为配合物的轴。相邻配合物分子间因Sn…O的弱相互作用和分子间氢键的作用而以二聚体的结构形式存在。     

Synthesis and Crystal Structure of Cobalt(II) Complex [Co(H2O)2(bpe)(OAc)2](4,4''-dpdo

The reaction of Co(OAc)2 with bpe and 4,4'-dpdo in an aqueous-alcohol solution affords the formation of red crystals of [Co(H2O)2(bpe)(OAc)2](4,4'-dpdo (bpe = trans-1,2-bis(4- pyridyl)ethylene, 4,4'-dpdo = 4,4'-dipyridyl N,N'-oxide). The molecular and crystal structures were determined by single-crystal X-ray diffraction. The crystal is of triclinic, space group P with a = 7.6146(9), b = 8.6691(11), c = 10.344011 A, α = 88.311(3), β = 76.992(3), γ = 75.809(3)°, V = 644.7613 A3, Z = 1, C26H28CoN4O8, Mr = 583.45, Dc = 1.503 g/cm3, μ = 0.724 mm-1, F(000) = 303, T = 223(2) K, the final R = 0.0477 and wR = 0.1177 for 3199 observed reflections with I > 2σ(I). In the crystal the cobalt atom is six-coordinated by oxygen atoms from two carboxylic molecules, two nitrogen atoms from the bpe ligands and two water molecules, completing an octahedral geometry. The structure of the title complex consists of neutral chains containing cobalt(II) ions bridged by mutually trans bpe molecules. The adjacent chains are connected through weak hydrogen bonds to form a two-dimensional structure.     

Synthesis, characterization, and chiral properties of CoIII2AgI3 pentanuclear, CoIII4ZnII4 octanuclear, and CoIII mononuclear complexes with aza-capped hexadentate-N3S3 thiolate ligands: crystal structures of

The reaction of an S-bridged Co2(III)Ag3(I) pentanuclear complex, [Ag3[Co(aet)3]2][BF4]3 (aet = NH2CH2CH2S-), with paraformaldehyde in basic acetonitrile, followed by adding aqueous ammonia, produced an aza-capped Co2(III)-Ag3(I) complex, [Ag3[Co(L)]2]3+ ([1]3+) (L = N(CH2NHCH2CH2S-)3). The crystal structure of [1]3+ was determined by X-ray crystallography. [1][PF6]3 x H2O, empirical formula C18H44Ag3Co2F18N8OP3S6, crystallizes in the tetragonal space group 142m with a = 13.012(1) A, c = 24.707(2) A, and Z = 4. In [1]3+ the two aza-capped [Co(L)] units are linked by three Ag(I) atoms, such that the two Co(III) atoms are encapsulated in a macrobicyclic metallocage, [Ag3(I)(L)2]3-. [1]3+ was converted to an aza-capped Co4(III)Zn4(II) octanuclear complex, [Zn4O[Co(L)]4]6+ ([2]6+), by reaction with I- in the presence of Zn2+ and ZnO in water. The crystal structure of [2]6+ was also determined by X-ray crystallography. [2][PF6]6 x 8H2O, empirical formula C36H100Co4F36N16O9P6S12Zn4, crystallizes in the monoclinic space group P2(1/n) with a = 14.33(7) A, b = 25.67(10) A, c = 24.83(6) A, beta = 101.3(3) degrees , and Z = 4. In [2]6+ each of four [Co(L)] units is bound to each trigonal Zn3(II) face of the tetrahedral [Zn4(II)O]6+ core, such that each Co(III) atom is encapsulated in a macrobicyclic [Zn4(II)O(L)] fragment. Treatment of [2]6+ with a basic aqueous solution resulted in a cleavage of the Zn-S bonds to produce an aza-capped Co(III) mononuclear complex, [Co(L)] ([3]), from which [1]3+ is readily reproduced by the reaction with Ag+ in water. All the reactions were found to proceed with retention of the absolute configuration (delta or lambda) of the Co(III) chiral centers; deltadelta-[1]3+, deltadeltadeltadelta-[2]6+, and A-[3] were derived from deltadelta-[Ag3[Co(aet)3]2]3+. The contributions to circular dichroism (CD) from the triple helicity in [1]3+, besides from the asymmetric N and S donor atoms and the Co(III) chiral centers in [1]3+ and [2]6+, were estimated by comparing the CD spectra of deltadelta-[1]3+, deltadeltadeltadelta-[2]6+, and delta-[3].     

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…     

Synthesis and Crystal Structure of a Novel Hetero-bimetallic Complex with a Three-dimensional Network Structure: Bis(malonato)tetra(aqua)calcum(Ⅱ)cobalt(Ⅱ)

The title complex [CaCo(C3H2O4)2(H2O)4]n with a formula of C6H12CaCoO12 and Mr = 375.17 has been synthesized and structurally characterized by X-ray diffraction. The crystal is of monoclinic, space group C2/c with a = 14.195(9), b = 7.708(5), c = 13.441(8) (A),β = 119.575(9)°,V = 1279.0(14)(A)3, Dc = 1.948 g/cm3, μ = 1.803 mm-1, F(000) = 764 and Z = 4. The final R =0.0245 and wR = 0.0652 for 1344 observed reflections with I ＞ 2o(I). The structure of the title complex consists of CaO8 polyhedra and CoO6 octahedra linked together by malonate ligands. The Ca(Ⅱ) cation on a twofold axis is coordinated by two water molecules and six malonate O atoms.The Co(Ⅱ) cation which lies in a centre of symmetry in an octahedral arrangement is coordinated by four malonate O atoms and two water molecules. The structure comprises alternating layers along the [101] plane, with the shortest Co-Co distance of 6.961(5) (A). The whole 3D structure is maintained and stabilized by the presence of hydrogen bonds.     

Crystal Structure Analysis of Tetras[L-tris(ethylenediamine) cobalt(Ⅲ)] tris[hexacyanoruthenate(Ⅱ)]

1 INTRODUCTION The tris(ethylenediamine) cobalt (Ⅲ) complex in which there are L and D configurations is one of the very interest cations due to the chirality among research complexes and the characterization of reaction on the ion-pair charge-transfer transitions. It has been mentioned in a lot of examples on the chirality and the structure, such as [L-Co(en)3]- [?Co(edta)]2Cl?0H2O[1], [(+)DCo(en)3]Cl3稨2O[2], [(+)-Co(en)3?-)-Cr(en)3]Cl?.1H2O[3], [()-Co(en)3] (SCN)3[4], [(+)D…