Synthesis,Structure and Characterization of a New Complex: [Mn(C_6H_(12)N_4)_2(H_2O)_4][Mn(H_2O)_6][SO_4]_2·6H_2O

A novel complex,[Mn(C_6H_(12)N_4)_2(H_2O)_4][Mn(H_2O)_6][SO_4]_2·6H_2O,was synthesized and hexagonal single crystals with centimeter-scale sizes were obtained by the method of solvent evaporation.It was characterized by elemental analysis,infrared spectrum,thermogravimetric analysis and X-ray single-crystal diffraction.The complex belongs to triclinic crystal system,space group P■ with a=9.3390(8),b=13.3520(13),c=16.3207(13)?,α=100.7160(3)°,β=90.1020(10)°,γ=109.9490(5)°,V=1874.9(3)?~3,Z=2,D_c=1.542 g/cm~3,M_r=870.64,μ=0.876 mm~(-1),T=293(2) K,F(000)=916 and S=0.990.The crystal structure determination displayed a distorted octahedral geometry around the manganese atom,which is bound to two nitrogen atoms from hexamethylenetetramine,acting as monodentate ligands,and to four aqua ligands.Variable-temperature magnetic measurements of the complex indicate the presence of weak antiferromagnetic interaction between manganese centers.     

Hydrothermal Synthesis,Crystal Structure and Electrochemical Properties of the Copper(II) Complex [Cu_4O_4(phen)_4(ClC_6H_4COO)_2(H_2O)_2]·(H_2O)_3

1 INTRODUCTION As we all know, copper is a necessary trace element for human body. For example, a large number of bi- nuclear or multi-nuclear transition metallic complex- es exist in active centers of some metalloprotein[1]. In the 1960’s, Bertand and Bock et al[2] reported the first tetra-nuclear copper complex with Cu4O3 unit. In 1996, a cyclo-tetranucleate complex bridged by pyridine was synthesized by Zhang Hua etc[3]. In 1999, Tan Xiangshi and coworkers[4] presented a cubic tet…     

CRYSTAL STRUCTURE OF (Br(μ-Met)(μ-Gly)(H_2O)_4]_2[Er(μ-Net)_2(H_2O)_4]_2(ClO_4)_(12)

<正> [Er(u-Met)(u-Gly)(H2O)4]2[Er(u-Met)2(HaO)4]2(ClO4)12(NMet=CH3S-(CH2)2CH(NH2)COOH,Gly=NH2CH2COOH), Mr=3194, trilinic, space group P1, a = 12.375(6),b= 14.041(13), c=19.074(13)A,α=80.85(6),β=80.72(6).γ=62.82(6)° ,Z=1,V= 2896A3,Dc=1.83 g/cm3,R=0.091. The carboxyl groups of Met and Gly in the title complex are bonded to Er atoms as bidentate bridging ligands.There are two different cations located at crystallographic symmetry centers in one unit cell.     

CRYSTAL STRUCTURE OF [Tm_4(p-NO_2C_6H_4CO_2)_(12)(H_2O)_(10)·2H_2O

<正> [Tm4 (p-NO2C6H4CO2)12 (H2O)10]·2H2O, Mr = 2885. 28, triclinic, space group P1 with a=14. 109(4) ,b= 14. 594(3) ,c= 13. 638(3) A ,α= 107. 04 (2), β=103. 36(2),γ= 93. 93(2)°, Z=1,V = 2584(1) A3.F(000) = l416,μ = 36. 4cm-1(Moka) ,Dc=1. 85g·cm3. The final R factor is 0. 034. The crystal structure is composed of tetrameric units in which four metal ions are bridged by carboxyl groups in chain form.     

CRYSTAL STRUCTURE OF H(PyH)_3 [MO_2o_4 (C_2o_4)_2 (H_2o)_2)_2'2H_2o

<正> Introduction. The complexes of Mo(V) and oxalate are found to exist in several various configurations. As an anologous compound for the activecenter of Mo enzymes they have attracted broad attention. It was found by Sobczak and Ziolkowski in 1976 that these types of complexes had a higher catalytic selectivity in the epoxidation of olefine by hydroperoxides     

AQUEOUS PHASE SYNTHESIS OF(RC_5H_4)_2Ti(O_2CC_6H_4X)_2

Nine complexes(RC_5H_4)_2Ti(O_2CC_6H_4X)_2(R=H,CH_3;X=H,o-Cl,o-OH,o-NH_2,o-NHPh)have been conveniently prepared by the reaction of(RC_5H_4)_2TiCl_2 with 2 equiv.sodium salts of corresponding carboxylic acidin aqueous solution containing acetylacetone.The carboxylate ligands inthe complexes coordinate to titanium atom in monodentate mode.     

CRYSTAL STRUCTURE OF [Ni((C)_6H_(11)O)_2PS_2)·(C_4H_9NH_2)_4]-(C_6H_(11)O)_2PS_2

<正> [Ni((C6H11O)2PS2)·(C4H9NH2)4](C6H11O)2PS2,Mr-=938. 05, triclinic,P1,a=13. 513(6),b=16. 040 (7), c= 12. 891(6) A , α= 95. 66 (4),β= 90. 23(4),γ= 75. 46(3)°,V = 2691 A3,Z=2,Dc= 1. 16 g·cm3.μ=6. 07cm-1,MoKa radiation, λ=0. 71069 A ,F(000) = 1020,R=0. 100 for 4595 reflections with I≥3σ(I). The title compound molecule consists of a complex cation [Ni((C6H11O)2PS2)(C4H9-NH2)4]+ and a complex anion (C6H11O)2PS2- . The Ni (Ⅱ) atom in the cation is octahedrally coordinated by four nitrogen atoms from four w-butylamine ligands and two sulfur atoms from one (C6H11O)2PS2 group.     

{[Sm_2(Gly)_6(H_2O)_4](ClO_4)_6(H_2O)_5}_n的合成和晶体结构

本文合成了标题配合物,对其红外光谱进行了研究.测定了配合物的晶体结构,结果表明,晶体属三斜晶系,P1空间群,单胞参数:α=11.549(2)(?),b=14.122(3)(?),c=15.654(?),α=97.01(2)°,β=102.70(2)°,γ=105.43(2)°,V=2355.94(0.87)(?)~3,Z=2.晶体结构是采用Patterson法和差值Fourier合成解出.经全矩阵最小二乘法修正,最后偏差因子R=0.0337,R_w=0.0364.晶体中甘氨酸与Sm原子的结合方式有三种:第一种甘氨酸的羧基离子以螯合桥式与Sm原子配位;第二种甘氨酸以羧基桥式与同一单元的两个Sm原子配位;第三种甘氨酸以酸基桥式连结两个相邻单元中的相邻Sm原子而形成一维无限长链结构.此外,每个Sm原子还与两个水分子成键,其配位数为9.     

SYNTHESIS AND STRUCTURE OF (Et_4N)_2[Ni_2(OSC_5H_4)_2(μ-SC_6H_4OH)_2]

<正> The synthesis and structure of cluster compound(Et4N)2[Ni2-(OSC6H4)2(u-SC6H4OH)2] are reported. Mr = 876.54,space group P21/n, a = 9.179(4), b = 17.487(6), c = 12.840(4) A;B=92.87(3)°;V=2058.6(2)A3; Z = 2; DC = 1.182g·cm-3.     

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 and Structure of 〔Cu(μ-C_6H_5COO)_2(C_4H_8O)〕_2

1mTRODUCT1ONBinuclearcoppercomplexesareimportantnotonlyincoordinationchemistryandmagnetostructuralstudiesbutalsoinpracticalapplication.tliInanattempttoseekthedisPersionandemulationreagentsofCWM(themixtureofcoalandwater),thetitlecomP0undwassynthesizedbyanoxidativepreparationmethodt2i,whosesynthesisandstructurearedifferentfromthosedescribedbyWangetoft3i.Here,0nlythesynthesisandstructureofthetitlecomP0undarereportedandthestudiesofitsappli-cationareinprogress.2EXPERIMENTAL2.1Preparati0n…     

配位聚合物[Ni(H_2O)_6]·[Ni_2(phen)_2(BTC)_2(H_2O)_4]·4H_2O的水热合成和结构表征

采用水热法合成了新的配合物[Ni(H2O)6].[Ni2(phen)2(BTC)2(H2O)4].4H2O(phen=邻菲啰啉;BTC=均苯三甲酸),采用X射线单晶衍射结构分析及元素分析、红外光谱等表征,并用TGA检测了该配合物的热稳定性.晶体属于三斜晶系,空间群为P-1,晶胞参数a=0.84038(7)nm,b=0.92048(8)nm,c=1.64793(14)nm,α=97.3850(10)°,β=102.7930(10)°,γ=104.9700(10)°,V=1.17736(17)nm3,F(000)=622,Z=1.标题化合物的不对称结构是由NiO6单元和1个二聚物Ni2N4O12单元组成的,该二聚物单元通过2个邻菲啰啉和2个均苯三甲酸分子构筑了1个八元环.氢键将2个独立的结构单元连接成三维结构.     

CRYSTAL STRUCTURE OF COMPLEX OF ERBIUM(Ⅲ) AND QLYCINE,[Er(GLy)_2(H_2O)_4]_2(ClO_4)_6·4(C_4H_8O_2)

<正> The crystal structure of [Er(Gly)2 (HaO)4]2(ClO4)6.4(Dio) (Gly= NH2CH2COOH; Dio=dioxane) has been determined belonging to triclinic system with space group P1.The final R was 0.055. The carboxyl groups of Gly are associated to Er(Ⅲ) atoms to act as the bidentate bridging ligands.     

[Ho_2(phen)_4(H_2O)_4(OH)_2](phen)_2(NO_3)_4的合成、晶体结构及磁性

在甲醇与水的混合溶剂中,经浓硝酸硝化的Ho_2O_3与1,10-邻菲啰啉反应形 成氢氧根桥联的双核钬配合物[Ho_2(phen)_4(H_2O)_4(OH)_2] (phen)_2(NO_3)_4 （phen = 1,10-邻菲啰啉）。单晶X射线衍射晶体结构测定表明晶体属三斜晶系, P1-bar (no. 2)空间群,晶胞参数a = 1.1241(1) nm, b = 1.1439(1) nm, c = 1. 4058 (1) nm, α = 93.989(7)°, β = 98.173(7)°, γ = 108.19(1)°, V = 1.6874(4) nm~3, Z = 1, D_c = 1.737 g/cm~3, F(000) = 880,7752个独立衍射 点中,5702个可观测点满足F_o~2 ≥ 2σ (F_o~2),R_1 = 0.0499, wR_2 = 0. 858。标题配合物由中心对称的双核[Ho_2(phen)_4(H_2O)_4-(OH)_2]~(4+)配阳离 子,邻菲啰啉phen分子及硝酸根NO_3~-阴离子组成。敏个稀土原子与2个邻菲啰啉 配体,2相水分子和2个氢氧根配位形成配位数为8的[HoN_4O_4]四方反棱柱。配位 多面体通过两氢氧根基团形成共棱的[Ho_2N_8O_6]双四方反棱柱[d(Ho-N) = 0. 2549～0.2565 nm, d(Ho-O_(H_2O) = 0.2356, 0.2366 nm, d(Ho-O_(OH)) = 0. 2223, 0.2240 nm]。通过氢键和芳环堆积作用,配阳离子和邻菲啰啉分子排列形成 平行于（10 1-bar）的两维层结构,NO_3~-阴离子位于层之间。标题配合物为顺磁 物质,在5 ～300K区间内遵循Curie-Weiss定律X_m (T + 4.43) = 14.72 cm~3·K ·mol~(-1)(X_m为每摩尔Ho~(3+)离子磁化率）,其Ho~(3+)离子的室温有效磁矩为 10.76 B. M.,与Ho~(3+)自由离子的磁矩基本相同,表明稀土离子间不存在磁交换 作用。     

STRUCTURE OF { CEu_2 (OOCCH_2NHCOCH_2NH_3)_4 (H_2O)_4]·(C1O_4)_6·4H_2O}_n

<正> {[Eu(OOCCH2NHCOCH2NH3)2(H2O)2]·(ClO4)3·2H2O}2,Mr = 1572,P21/n,a=12. 014(4),b=8. 910(5),c=22. 749(5)A ,β=91. 73(3)°,V = 2034 A3,Z=2,Dx=2. 15g·cm-3,λ(MoKa) = 0. 71073A,R=0. 060 for 3107 unique observed reflections (I≥3σ(I)). The complex cation is of one-dimensional chain structure in which the basic unit is a dinuclear complex and the gly-gly ligands are coordinated to metal atoms in two kinds of forms. The overall structure of the dinuclear unit is dioxo and dicarboxyl-bridged.     

Syntheses and Anti-inflammatory Action of (η-C_5H_5)_2Ti(Cin)_2 and (η-C_5H_5)_2Ti(Tzea)_2

ＩｎｔｒｏｄｕｃｔｉｏｎＳｉｎｃｅＫ ｐｆｄｉｓｃｏｖｅｒｅｄｔｈａｔｄｉｃｙｃｌｏｐｅｎｔａｄｉ ｅｎｙｌｔｉｔａｎｉｕｍｄｉｃｈｌｏｒｉｄｅｅｘｈｉｂｉｔｅｄａｎｔｉｔｕｍｏｕｒａｃｔｉｏｎｉｎ1979,1ａｌａｒｇｅｎｕｍｂｅｒｏｆｃｙｃｌｏｐｅｎｔａｄｉｅｎｙｌｔｉｔａｎｉｕｍｃｏｍ ｐｌｅｘｅｓｂｅａｒｉｎｇｄｉｆｆｅｒｅｎｔｓｕｂｓｔｉｔｕｅｎｔｓｈａｖｅｂｅｅｎｓｙｎｔｈｅ ｓｉｚｅｄ .2 ,3Ｔｈｅｅｘｐｅｒｉｍｅｎｔａｌｄａｔａｒｅｖｅａｌｅｄｔｈａｔ (Ｃｐ) 2 ＴｉＸ2(Ｘ =ｈａｌｏｇｅｎ ,ｐ…     

Crystal structure and quantum chemical investigation of [Cd(NTO)_4Cd(H_2O)_6]·4H_2O

The common explosives, RDX (1,3,5-trinitro-1,3,5-triazacyclohexane), HMX (1,3,5,7- tetranitro-1,3,5,7-tetraazacyclooctane) and TNT (trinitrotoluene), were considered adequately for all weapons applications. Due to many catastrophic explosions resulting from unintentional initia-tion of impact, friction or shock, these explosives have become less attractive. TATB (1,3,5-tria- mino-2,4,6-trinitrobenzene) is noted for its insensitivity, however, it does not have the energetic performance of e…     

Synthesis and Characterization of a Reduced Molybdenum(V) Phosphate, (H_3dien)_2(H_2dien)_2[NaMo_(12)O_(24)(OH)_6-(H_2PO_4)(HPO_4)_5(PO_4)_2]·nH_2O (n = 10.92)

A new reduced molybdenum(V) phosphate (H3dien)2(H2dien)2[NaMo12O24 (OH)6 (H2PO4)(HPO4)5(PO4)2]·nH2O (n = 10.92, dien = diethylenetriamine) has been synthesized under hydrothermal conditions and characterized by elemental analyses, IR and X-ray diffraction. C16H96.84Mo12N12NaO72.92P8 (Mr = 3046.73) crystallizes in the monoclinic system, space group P21/c with a = 13.3575(18), b = 21.907(3), c = 15.654(2) , β = 110.22(2)°, V = 4298.4(10) 3, Dc = 2.354 g/cm3, Z = 2, μ(MoKα) = 1.966 mm-1, F(000) = 2990.4, the final R = 0.0357 and wR = 0.1086 for 8739 observed reflections with I > 2σ(I). It consists of sandwich-shaped cluster anions [Na{Mo6P4}2]10- held together into a three-dimensional supramolecular framework through intermolecular hydrogen-bonding contacts. A probe reaction of the oxidation of acetaldehyde with H2O2 showed that this compound has high catalytic activity in the reaction.     

Synthesis and Characterization of a Bismuth Incorporating Heptamolybdate:(NH_4)_4[HMo_7O_(24)Bi(H_2O)_2C_5H_3N(CO_2)_2]·7H_2O

A new one-dimensional molecule based on the linkage of [Mo7O24] clusters and [BiL](L = pyridine-2,6-dicarboxylic acid) assembles under ambient conditions. The title compound was characterized by X-ray powder diffraction, IR and UV spectra, thermogravimetric analysis, and single-crystal X-ray diffraction. Crystal data: C7H38BiMo7N5O37, Mr = 1664.95, monoclinic, space group C2/c, a = 24.312(2), b = 21.4869(18), c = 18.5423(16) , β = 111.6490(10)o, V = 9002.9(13) 3, Z = 8, μ = 5.883 mm–1, F(000) = 6304, GOF = 1.045, R = 0.0365 and wR = 0.1062.     

Synthesis and Crystal Structure of Co(C_6NO_2H_4)_3. H_2O

1INTRoDUCTIONAlotofresultsoncobaltcomplexstructureshavebeenreportedforseveraldecades.Theinterestofresearchinthisfieldhasneverbeenreducedbecausethecobaltcomplexesplayaveryimportantroleinthelifescienceandcatalysis,etc[1-6).WereportherethesynthesisandstructureofcomplexCo(C,NO,H'),.H,O.2EXPERIMENTALAllreagentsandsolventsusedareofARgradefromcommericalsourceswithoutfurtherpurification.ThetitlecompoundCo(C,NO,H,),.H,Owassynthesizedbythefollowingmethod.When2.4g(ca.1mmol)ofCoCl2.6H2Ow…