一维梯状配位聚合物{[Cu3(H2O)8(4，4′-bipy)2(smbdc)2]·6H2O}n的合成与晶体结构

In the title complex, {[Cu₃(H₂O)₈(4,4′-bipy)₂(smbdc)₂]·6H₂O}_n, Cu1 and Cu2 have different coordination environment. The 5-sulfo-1,3-benzenedicarboxylic acid (smbdc^3-) ligands form one-dimensional zigzag chains linked by Cu atoms. The two adjacent zigzag chains extend into one-dimensional ladder frameworks bridged by a secondary building unit [Cu(H₂O)4(4,4′-bipy)₂]²⁺. The hydrogen-bond interactions between chains make the complex a three-dimensional open supramolecular network. CCDC: 670975.     

配位聚合物{[Co(4,4′-bpy)(H2O)4](Fum)·4H2O}n的合成和晶体结构

The complex {[Co(4,4′-bpy)(H₂O)₄](Fum)·4H₂O}_n(where 4,4′-bpy = 4,4′-bipyridine and Fum = fumarate) was synthesized and characterized by X-ray diffraction. The complex consists of one-dimensional chains containing cobalt(Ⅱ) ions bridged by 4,4′-bpy molecules. The six-coordination of Co²⁺ is achieved by means of four water molecules. The fumarate is not coordinated to cobalt ion while it forms hydrogen bonds with coordinated and non-coordinated water molecules and extends the structure into three-dimensional hydrogen bonding network. CCDC: 190488.     

混合配体配合物[Cd2(phen)4(bmal)2]·3H2O的合成与晶体结构研究

A novel binucleus mixed-ligand[Cd₂(phen)₄(bmal)₂]·3H₂O (phen=phenanthroline; bmal=benzylmalonic acid radical) has been synthesized by the reaction of phen and bmal with cadmium(Ⅱ) salt. X-ray crystal structure analysis was carried out to determine the crystal structure of the title complex. The crystal of the title complex belongs to monoclinic system with space group P2₁/c, a=1.119 1(8) nm, b=2.480 5(17) nm, c=1.063 4(8) nm, β=142.042(12)°, Z=4, V=2.887(3) nm³, D_c=1.613 g·cm^-3, R₁=0.046 2, wR₂=0.115 6, F(000)=1 424. One carboxyl of bmal is coordinated to Cd(1) with monodentate form, the others are coordinated to Cd(2) with bidentate form. The complexes form a 1-D chain structure bridged by hydrogen bonds that formed by uncoordinated water and oxygen atom of carboxyl group in bmal, the 2-D network structure was formed by π-π interaction of neighbouring phen. CCDC: 257080.     

一个二核钒配合物的合成及晶体结构：NH4[(VⅣO)2(μ2-O)(nta)2][EuⅢ(H2O)9](英)

A binuclear vanadium complex NH₄[(V^ⅣO)₂(μ₂-O)(nta)₂][Eu^Ⅲ(H₂O)₉] was synthesized by reaction of NH₃VO₃, nitrilotriacetic acid and EuCl₃ in one aqueous solution. The crystal X-ray analysis shows that the complex contains one binuclear vanadium anion [(V^ⅣO)₂(μ₂-O)(nta)2]^4- and one [Eu^Ⅲ(H₂O)₉]³⁺ cation. The molecules are built up to a three-dimensional supramolecular structure through hydrogen bonding. CCDC: 238716.     

双核配合物[Cu2(L-Asp)(phen)3(NO3)](NO3)·4H2O的合成及晶体结构

The new complex [Cu₂(L-Asp)(phen)₃(NO₃)](NO₃)·4H₂O (L-Asp=L-aspartic acid and phen=1,10-phenanthroline) has been synthesized and its crystal structure has been determined. The complex crystallizes in the monoclinic with space group P2₁/c, The cell parameters are: a=1.261 3(2) nm, b=1.500 8(4) nm, c=2.230 7(4) nm, β=99.55(1)°, and V=4.164 1(16) nm³，D_c=1.587 g·cm^-3. The complex contains two six-coordinated copper ions, and these two copper ions are connected together by L-aspartate to give rise to a binuclear structure. Hydrogen bonds and π-π stacking interactions are observed in the complex. CCDC: 249250.     

二维层状结构十钒酸盐[K(H2O)2Ni(H2O)6]2[V10O28]的合成及性质(英)

A novel heteropoly compound, containing two kinds of coordinated cations, [K(H₂O)₂Ni(H₂O)₆]₂[V₁₀O₂₈], has been synthesized through routine process and characterized by elemental analyses, IR, ⁵¹V NMR and single crystal X-ray diffraction. It crystallizes in the triclinic system, space group P1 with a=0.87382(17) nm, b=1.075 4(2) nm, c=1.111 1(2) nm, α=65.10(3)°, β=75.01(3)°, γ=70.63(3)°, V=0.884 8(3) nm³ and Z=1. The X-ray analysis reveals that the two kinds of coordinated cations are linked by three shared coordinated water molecules, and K⁺ cations coordinate with ten oxygen atoms: five of which come from V₁₀O₂₈^6- anion, the other five from water molecules. The title compound exhibits extended 2D array building up of V₁₀O₂₈^6- groups connected by ten-coordinated K⁺ cations. The hexahydrated nickel cations Ni(H₂O)₆²⁺ lie in neat apposition to three adjacent V₁₀O₂₈^6- clusters. CSD: 413271.     

[COH(NH2)2]2[Cu(pic)2(ClO4)2]的合成与晶体结构

The title compound was synthesized by reaction of Cu(ClO₄)₂， picolinic acid and carbamide in C₂H₅OH/CH₃CN solution， and characterized by single-crystal X-ray diffraction. It crystallizes in the orthorhombic system， space group Pbca with a=14.0481(8)， b=9.0130(5)， c=18.626(1)?， V=2358.3(2)?³， Z=4， D_x=1.771g·cm^-3， μ=1.235mm^-1 and F(000)=1276. The final R factor is 0.0440 for 1434 observed reflections. The X-ray analysis revealed that the copper(Ⅱ) atom is coordinated by two picolinic ligands in the equatorial plane， while the two oxygen atoms of perchlorate occupy the axial positions of octahedron with lengthened Cu-O distances， resulting in a 4+2 elongated octahedral environment. In the compound， there also exist two protonated carbamide cations for charge balance. CCDC： 195354.     

配合物[Sm(o-MOBA)3(phen)·H2O]2·4H2O的合成与晶体结构

The title complex [Sm(o-MOBA)₃(phen)·H₂O]₂·4H₂O has been synthesized by the reaction of SmCl₃·6H₂O with o-methoxybenzoic acid and 1,10-phenanthroline in 1∶3∶1 molar ratio. The crystal structure was determined by X-ray single crystal diffraction. The crystal belongs to triclinic system, space group P1 with a=1.203(10) nm, b=1.293(10) nm, c=1.306(11) nm, α=64.50(10)°, β=81.93(10)°, γ=74.81(10)°. The molecular structure shows that the Sm³⁺ ion coordinates to nine atoms. The carboxylate groups are bonded to the samarium ion in three modes: monodentate, bidentate chelating, tridentate chelating-bridging. CCDC: 603740.     

发光PtⅡ-CuⅠ异核配合物[Pt4Cu2(edt)4(PPh3)6](ClO4)2(4H2O)的合成及其表征

Self-assembly between Pt(phen)(edt) (phen=phenanthroline, edt=1,2-ethanedithiolate) and [Cu(PPh₃)₂(MeCN)₂](ClO₄) (PPh₃=triphenylphosphine) gave rise to formation of heterohexanuclear complex [Pt₄Cu₂(edt)₄(PPh₃)₆](ClO₄)₂(4H₂O) (1). The complex was characterized by elemental analyses, ES-MS, UV-Vis, IR, ³¹P NMR spectroscopy and X-ray crystallography. The molecule consists of two [Pt₂Cu(edt)₂(PPh₃)₃] units which has a centrosymmmetric inversion to give a cyclic heterohexanuclear skeleton. The Pt^Ⅱ and Cu^Ⅰ center adopt square-planar and trigonal coordination modes, respectively. The compound shows intense emission at 632 nm in the solid state and at 678 nm in frozen dichloromethane glass at 77 K.     

[U(CO3)3(H2O)2]·2H2O配合物的合成及晶体结构

A uranylcontaining compound [U(CO₃)₃(H₂O)₂]·2H₂O has been synthesized under hydrothermal condition and characterized by X-ray single-crystal analysis. Crystal structural analysis indicates that this compound consists of three CO₃^2- molecules, one U⁶⁺. The results reveal that the title compound presents a 3D frame work built up by O-H…O week hydrogen bonds interactions. The central uranium atom is eight-coordinated through three CO₃^2- molecules and two H₂O. The compound shows a coplanar hexagonal network structure, each hexagon containing a hexagonal hole with a water moleculet. CCDC: 737313.     

新型三维开放骨架稀土硫酸盐[Ln4(H2O)4(SO4)10](C4N2H12)4(H2O)4(Ln=Gd,Eu)的合成、结构及荧光性质

以哌嗪为模板剂,在水-乙醇混合溶剂体系中溶剂热合成了两个具有三维开放骨架结构的稀土硫酸盐[Ln4(H2O)4(SO4)10](C4N2H12)4(H2O)4（Ln = Gd,化合物1和Eu,化合物2）,并对其进行了结构表征、热重以及荧光光谱分析. 单晶结构解析表明,化合物1和2属于同构异质,均结晶于单斜晶系,P21/c空间群,化合物1,a = 19.691(3) ?,b = 19.249(3) ?,c = 13.186(2) ?,β = 92.33(0)o,V = 4993.5(1) ?3, Z =4. 化合物2,a = 19.7233(8) ?,b = 19.2791(8) ?,c = 13.2095(5) ?,β = 92.329(1)o,V = 5018.7(3) ?3, Z =4. 两个化合物在ab平面上由SO4,GdO8和GdO9多面体共边或共角交错连接形成含有八元环和十六元环的二维层状结构,该二维层沿c方向平行排列,相邻层通过SO4四面体相连形成具有孔道的三维开放骨架结构,其孔道之中包含平衡骨架负电荷的质子化哌嗪分子. 化合物2的固体荧光光谱分析显示其在397nm激发波长下,表现出典型的Eu3+发光性质.       

Synthesis and Crystal Structure of a Three-dimensional （3D） Complex Mn（H2O）2（HNic）2 （HNic = 2-Hydroxynicotinic Acid）

1 INTRODUCTION The development of supramolecular and coordina- tion polymer complexes has recently attracted consi- derable attention due to the fundamental interest in self-assembly processes of transition-metal comple- xes, supramolecular chemistry and crystal enginee- ring[1~12]. The rational design of molecular architec- tures is essential for the creation of functional ma- terials with selective clathration[13, 14], molecular re- cognition[15, 16], catalysis[17, 18] and storage materi…     

Two new metal coordination polymers containing mixed ligands: hydrothermal synthesis and crystal structures of [Co2(1,2,4,5-btc)(phen)2(H2O)6]·2H2O and [Mn3(1,2,4-btc)2(phen)2(H2O)2] n

Crystallisation of benzene-1,2,4,5-tetracarboxylic acid or benzene-1,2,4-tricarboxylic acid with divalent metal ions of Co, and Mn with 1,10-phenanthroline gives two new coordination solids, [Co₂(C₁₀H₂O₈)(C₁₂H₈N₂)₂(H₂O)₆]·2H₂O (1) and [Mn₃(C₉H₃O₆)₂(C₁₂H₈N₂)₂(H₂O)₂] _n (2). The three-dimensional supramolecular structure of compound 1 is constructed from discrete [Co₂(C₁₀H₂O₈)(C₁₂H₈N₂)₂(OH₂)₆] dimers and isolated water molecules via interesting hydrogen-bonding and π–π stacking interactions. Compound 2 has an unusual (4,?6) network, and the network is furthermore extended into a three-dimensional supramolecular architecture by the aid of hydrogen bonding and π–π stacking interactions.     

Infinite Three-Dimensional Coordination Polymers: Synthesis and Structures of [Cd (4,4'-bpy)2 (H2O)2]n (pic)2n, [Zn (4,4'-bpy)2 (H2O)2 ]n-(pic)2n (H2O)2n, and [Zn (4,4'-bpy)2 (H2O)2]n (4,4'-bpy)n (H2O)n (pic)2n

Recently, a new research realm in crystal engineering of supramolecular architecturesassembled by means of coordinate covalent bonding', hydrogen bonding', or other weakintermolecular interactions= has been rapidly expanding in order to rationally developnew classes of functional materials with cavities or pores. These types of compoundsmay exhibit interesting topological structures and the clathrations of the cavity structuresmay have many potential properties such as catalysis', electrical co…     

Synthesis, Structure and Characterization of Two-dimensional Network Copper Complex [Cu_3(nta)_2(azpy)_2(H_2O)_2]·6H_2O

ＩｎｔｒｏｄｕｃｔｉｏｎＣｒｙｓｔａｌｅｎｇｉｎｅｅｒｉｎｇｏｆｓｕｐｒａｍｏｌｅｃｕｌａｒａｒｃｈｉｔｅｃｔｕｒｅｓｓｕｓｔａｉｎｅｄｂｙｃｏｏｒｄｉｎａｔｅｃｏｖａｌｅｎｔｂｏｎｄｓｏｒｈｙｄｒｏｇｅｎｂｏｎｄｓｒｅｐｒｅｓｅｎｔｓａｒａｐｉｄｌｙｅｘｐａｎｄｉｎｇｆｉｅｌｄｔｈａｔｏｆｆｅｒｓｐｏ ｔｅｎｔｉａｌｆｏｒｄｅｖｅｌｏｐｍｅｎｔｏｆｎｅｗｃｌａｓｓｅｓｏｆｆｕｎｃｔｉｏｎａｌｓｏｌｉｄｓ .1,2 Ｔｈｅａｒｃｈｉｔｅｃｔｕｒｅｓｏｆｃｏｏｒｄｉｎａｔｉｏｎｐｏｌｙｍｅｒｓｃａｎｂｅ…     

Infrared spectra of C(3)H(3)(+)-N(2) dimers: identification of proton-bound c-C(3)H(3)(+)-N(2) and H(2)CCCH(+)-N(2) isomers.

Mid-infrared photodissociation spectra of mass selected C(3)H(3)(+)-N(2) ionic complexes are obtained in the vicinity of the C-H stretch fundamentals (2970-3370 cm(-1)). The C(3)H(3)(+)-N(2) dimers are produced in an electron impact cluster ion source by supersonically expanding a gas mixture of allene, N(2), and Ar. Rovibrational analysis of the spectra demonstrates that (at least) two C(3)H(3)(+) isomers are produced in the employed ion source, namely the cyclopropenyl (c-C(3)H(3)(+)) and the propargyl (H(2)CCCH(+)) cations. This observation is the first spectroscopic detection of the important c-C(3)H(3)(+) ion in the gas phase. Both C(3)H(3)(+) cations form intermolecular proton bonds to the N(2) ligand with a linear -C-H...N-N configuration, leading to planar C(3)H(3)(+)-N(2) structures with C(2v) symmetry. The strongest absorption of the H(2)CCCH(+)-N(2) dimer in the spectral range investigated corresponds to the acetylenic C-H stretch fundamental (v(1) = 3139 cm(-1)), which experiences a large red shift upon N(2) complexation (Delta(v1) approximately -180 cm(-1)). For c-C(3)H(3)(+)-N(2), the strongly IR active degenerate antisymmetric stretch vibration (v4)) of c-C(3)H(3)(+) is split into two components upon complexation with N(2): v4)(a(1)) = 3094 cm(-1) and v4)(b(2)) = 3129 cm(-1). These values bracket the yet unknown v4) frequency of free c-C(3)H(3)(+) in the gas phase, which is estimated as 3125 +/- 4 cm(-1) by comparison with theoretical data. Analysis of the nuclear spin statistical weights and A rotational constants of H(2)CCCH(+)-N(2) and c-C(3)H(3)(+)-N(2) provide for the first time high-resolution spectroscopic evidence that H(2)CCCH(+) and c-C(3)H(3)(+) are planar ions with C(2v) and D(3h) symmetry, respectively. Ab initio calculations at the MP2(full)/6-311G(2df,2pd) level confirm the given assignments and predict intermolecular separations of R(e) = 2.1772 and 2.0916 A and binding energies of D(e) = 1227 and 1373 cm(-1) for the H-bound c-C(3)H(3)(+)-N(2) and H(2)CCCH(+)-N(2) dimers, respectively.     

Synthesis and Crystal Structure of （H3O）2[Cu3Cl3（H2O）3（NC9H12.5O6）2]

1 INTRODUCTION The polydentate ligand nitrilotripropionic acid, H3ntp[N(CH2CH2COOH)3], has attracted conside- rable research interest in constructing coordination polymers, designing organic-inorganic hybrid mate- rials[1], synthesizing supramolecular compounds[2], etc. due to its high degree of flexibility with three carboxylic acid moieties allowing for a variety of coordination through oxygen atoms[3]. It also pro- vides other versatile properties such as the possibili- ty of inter-…