[Ag(TO)~2]ClO~4.H~2O的制备和晶体结构

通过1,2,4-三唑-5-酮(TO)水溶液与高氯酸银溶液反应,制备了高氯酸二(1,2,4-三唑-5-酮)合银(I)-水合物。并用单晶X射线衍射和红外光谱对其进行了结构表征。晶体属三斜晶系,空间群为P1,a=0.533(1)nm,b=0.938(1)nm,c=1.220(1)nm;α=88.02(1)ⅲ,β=79.50(1)ⅲ,γ=82.86(1)ⅲ;V=0.5953(8)nm^3,Z=2,偏离因子R为0.0281。银离子与两个氮原子形成线性配位结构。     

Self-assembly of an Unprecedented Cynao-bridged One-dimensional 4f-3d Complex[Eu(DMF)4(H2O)2Cr(CN)6] H2O

Recently, there has been considerable interest in cyano-bridged lanthanide(Ⅲ) hexacyanometalate(Ⅲ) complexes LnM(CN)₆·nH₂O (M=Fe, Cr and Co) because of their potential as catalytic, semiconductive, and magnetic materials.^[1-8] In this study, we employed N,N-dimethylformamide (DMF) as a hybrid ligand to construct a bimetallic complex[Eu(DMF)₄(H₂O)₂Cr(CN)₆]·H₂O. It was synthesized as yellow crystals by the self-assembly of anhydrous EuCl₃ and (Bu₄N)₃[Cr(CN)₆] in MeOH and DMF. Single-crystal X-ray diffraction analysis shows that it consists of a cyano-bridged chain structure. The Eu atom is eight-coordinate with a distorted bicapped square antiprism geometry. Six oxygen atoms of two water molecules and four DMF molecules and two nitrogen atoms of the bridging CN ligands are bound to Eu with the Eu-O distance ranging from 2.368(7) to 2.447(8) Å. The bridging cyanides coordinate to the Europium(Ⅲ) ion[N(l)-Eu=2.543(9) Å and N(3)-EuA=2.543(8) Å] in a bent fashion with the bond angles of 164.0(9) for C(1)-N(1)-Nd and 155.1(7)。for C(3)-N(3)-EuA (A denotes the symmetry transformation:-x+l,y-l/2,-z+3/2). Each Cr(CN)₆ coordinates to two Eu(Ⅲ) ions using two cis cyanide ligands, while each Eu(DMF)₄(H₂O)₂ group connects two Cr(CN)₆ moieties in a cis fashion, giving rise to an unprecedented chain structure. Crystal data:monoclinic, space group P2₁/c, a=13.151(2), b=12.905(2), c=19.186(2) Å, β=109.70(1)°, V=3065.5(7) ų,Z=4, ρ_obs=1.531 Mg m^-3, S=1.024,R1=0.0540, R_w=0.1616.     

{[Ag(ATO)~2]ClO~4}~n的制备和分子结构

通过4-氨基-1,2,4-三唑-5-酮(ATO)水溶液与高氯酸银溶液反应,制备了聚高氯酸二(4-氨基-1,2,4-三唑-5-酮)合银(I)。并用X射线衍射、红外光谱和TG-DTG对其进行了结构表征。晶体属三斜晶系,空间群为P1,a=0.7534(1)nm,b=0.8505(1)nm,c=1.0257(1)nm;α=69.47(1)ⅲ,β=72.69(1)ⅲ,γ=86.00(1)ⅲ;V=0.5872(1)nm^3,Z=2,D~c=2.305g/cm^3,F(000)=400;偏离因子R为0.0358。中心银离子表现为较为特殊的三配位。     

含1,6-二(4′-吡啶基)-2,5-二氮杂己烷的一维链状和二维网状银(Ⅰ)超分子配合物的合成与结构

近年来以发展新型功能材料、分子器件等为主要目标的超分子设计与合成己成为人们研究的热点[1].     

铁氰根桥联的一维链状大环配位聚合物的合成及结构

配位聚合物的合成、结构和性质研究近年来引起了人们极大的兴趣 ,已成为配位化学最活跃的研究领域之一 .由于 [Fe( CN) 6 ]3- 和 [Fe( CN) 6 ]4- 离子本身具有丰富的配位特性 ,可与金属离子及其配合物形成一维链状、二维网状和三维立体结构的配位聚合物 [1～ 5] ,铁氰根和亚铁氰根桥联的配位聚合物的研究成为其中的研究热点之一 .此外 ,铁氰根和亚铁氰根桥联的配位聚合物具有较高的铁磁相变温度[6～ 8] ,是一类具有较好应用前景的分子磁体 .但是 ,以金属大环配合物作为结构单元与 [Fe( CN) 6 ]3-和 [Fe( CN) 6 ]4-离子形成的配位聚合物…     

Absolute Configuration of the Levocloperastine Fendizoate

Crystal structure of the levocloperastine fendizoate (C80H76Cl2N2O10, C20H25ClNO+· C20H13O4-) has been determined by single-crystal X-ray diffraction. The crystal is of triclinic system, space group P1 with a = 10.1059(18), b = 11.957(2), c = 15.383(3) , α = 104.666(2), β = 90.9700(10), γ = 110.744(2)°, Z = 1, V = 1670.0(5) 3, Dc = 1.289 g/cm3, F(000) = 684, μ(MoKα) = 0.161 mm-1, Mr = 1296.33, the final R = 0.0343 and wR = 0.0676. The cations and anions are linked by the COO…NH hydrogen bonds of 2.709(3) and 2.690(3)  and COO…OH hydrogen bonds of 2.632(3) and 2.631(3) . The configuration of the only one chiral carbon atom in this compound is R(rectus).     

Synthesis and structural characterization of lanthanide picrate complexes with a new binaphthylamide

Solid complexes of lanthanide picrates with N-Ethyl-2-{2′-[(ethyl-phenyl-carbamoyl)-methoxy]-[1,1′]binaphthalenyl-2-yloxy}-N-phenyl-acetamide (L), [Ln(pic)₃L] (Ln=La, Tb, Y), have been prepared and characterized by elemental analysis, IR and ¹H NMR spectra. The molecular structure of [Tb(pic)₃L] shows that the Tb(III) ion is nine-coordinated by four oxygen atoms from the L and five from two bidentate and one unidentate picrates. The complex forms a 1D supramolecular structure along z-axis.     

Metal-organic architectures of silver(I), cadmium(II), and copper(II) with a flexible tricarboxylate ligand

Three novel metal-organic architectures, [Ag3(bta)].1.5H2O (1), [Cd3(bta)2(H2O)7].5H2O (2), and [Cu11(bta)6(Hbta)2(H2O)10].29H2O (3), were obtained by reactions of the corresponding metal salts with a flexible tripodal ligand, benzene-1,3,5-triacetic acid (H3bta), and their structures were determined by single-crystal X-ray diffraction studies. The results revealed that, in complexes 1 and 2, the carboxylate groups of the bta3- ligand adopted varied coordination modes to link metal atoms and further to form three-dimensional structures with open channels occupied by water molecules, while in complex 3, for the first time, the flexible H3bta acted as a secondary building unit to generate a novel nanometer-sized metallocage, which is composed of a Cu(II) paddle wheel (square secondary building units) and bta3-/Hbta2- organic links (triangular secondary building units). The photoluminescence properties of complexes 1 and 2 were investigated, and the results showed that 2 exhibited photoluminescence in the solid state at room temperature.     

新型笼状稀土配合物[La2(TCM)2(DMF)6]·2DMF的合成与结构

无机-有机骨架配合物由于在吸附、催化、分离以及主客体识别等方面的潜在应用而受到人们的广泛关注,它们多是由刚性多齿桥联配体与适当的中心金属离子配位的,并通过氢键和π-π堆积等弱相互作用构建而成。