Cu(en)_2Ag(SCN)_3的晶体结构

Cu(en)_2Ag(SCN)_3系棱柱状蓝紫色晶体,晶胞参数:a=7.126(2),b=12.587(5),c=17.585(5);空间群为P2_12_12_1;Z=4;ρobs.=1.90,ρcalc.=1.96克/厘米~3。在CAD-4四圆衍射仪上收集到1430个独立衍射点。晶体结构由三维Patterson函数和电子密度函数解出,经全矩阵最小二乘方精修,偏离因子R=0.036。结构分析的结果表明,晶体中的Ag原子由硫氰酸根的S原子按畸变四面体方式配位,其中有二个S原子分别为相邻两个Ag原子所共有,从而使一个一个的AgS_4四面体共有顶点,沿着α轴方向无限延伸。Cu原子系四方单锥配位,由两个乙二胺的N原子形成平面正方形配位(Cu—N_(en)=1.998～2.024);另外,一个SCN的N原子处在正方形的上方,形成Cu原子的四角锥构型,其与Cu原子的距离略长些(Cu—N_(SCN)=2.388)。     

CRYSTAL AND MOLBCULAR STRUCTURE OF MoO_2(Oxine)_2

<正> MoO2(C9H5NOH)2, Mr = 396,monoclinic,space group Cc,a = 13.369 (6), b = 9.408(4), c = 13.560(3)A,°=109.65°,V=1605A3,Z= 4,Dc= 1.639 g/cm3.R=0.027 for 1372 observed reflections [I>3o(I)]. X-ray analysis showed that the coordination sphere around molybdenum atom has a distorted octahedral geometry with two terminal oxygen atoms arranged in cis-form and two oxines act as bidentate ligands connected to the molybdenum through O and N atoms.Therefore, the molecule is not as Atovmyan described that the molybdenum atom is located on two-fold axis with space group C2/c but only approxiaately C2 synmetry.     

SYNTHESIS AND CRYSTAL STRUCTURE OF Ta_3(Te_2)_6

<正> Ta3(Te2)6, Mr = 2074. 04, tetragonal, P4/ncc, a = 9. 204(1) A , c=20,401(8) A, V=1728. 3 A 3, Z = 4, Dc = 7. 97g/cm3, λ(MoKa) = 0. 71073 A . μ= 386, 3cm-1,F(000) = 3372, T= 296K , R= 0. 027, Rw = 0, 029 for 493 observed unique reflections. The structure is composed of infinite [TaTe4] chains along the e axis. In these chains, the Ta sequences distort in such a way that linear Ta, clusters are formed.     

CRYSTAL STRUCTURE OF GdCl_3(DIMETHOXYETHANK)_2

<正> C8H2oCl3GdO4,Mr=443.80,monoclinic, space group P21/c, a=11.442 (3),b= 8.849(2), c= 15.575(5)A,β=104.8l(2)° ,V=1521.9(7)A3,Z= 4, DC = 1.94 g/cm3,λ(MoKα) =0.71069A,F(000)=860. The structure was solved by Patterson and Fourier techniques and refined by least-squares nethod to a final conventional lvalue of 0.051 (Rw=0.054). The central ion Gd(III) is bonded to three chlorine atoms and four oxygen atoms froa two dimethoxye-thane molecules to form a distorted pentagonal bipyramid. The Qd-Cl distances are in the range of 2.460-2.628A (average 2.571A). The Gd-O distances are in the range of 2.408-2.493A (average 2.458A).     

SYNTHESIS AND CRYSTAL STRUCTURE OF PYRROLIDINONE COPPER ACETATE

The title complex [Cu(CH_3COO)_2(C_4H_7NO)]_2 has been synthesized and its structure hasbeen determined by X-ray diffraction method.The compound crystallizes in the triclinic spacegroup P .The cell dimensions are:a=0.7775(4),b=0.8229(3),c=0.8913(5)nm,a=101.85(4)°,β=110.36(4)°,v=90.61(3)°,z=1.The struture has been refined to a R valueof 0.089.The two copper atoms are bridged by four acetate groups.Pyrrolidinone cooridinates tocopper at the apical site through its oxygen atom.     

CRYSTAL AND MOLECULAR STRUCTURE OF BIS(L-VALINATO)COPPER(II) MONOHYDRATE Cu[(CH_3)_2CHCH(NH_2)COO]_2·H_2O

<正> Mr=313.8, monocllnic, C2, a=21.255(4), b=9.567(4), c=7.399(1)A, β=108.8(1)°, V=1423.8A3, Z=4, Dx=1.464 g.cm-3, MoKα , μ=15.496cm-1 , F(OOO) = 660, T=295K, final R=0.089 for 1644 observed reflections. Two amino acid ligands chelate to copper forming a planar-square configuration. An oxygen atom of water occupying the apical position makes the coordinating polyhedron of copper a square pyramid.     

SYNTHESIS AND CRYSTAL STRUCTURE OF MgCl_2(CH_3COOC_2H_5)_2

The crystal of the title compound was prepared and its structure determined by X-ray diffraction method.1672 independent reflections were collected. The crystal is orthogonal with space group P2_12_12, and a=7.353(3),b=25.111(10), c=8.631(2), Z=8. The structure was solved by using Patterson method and modified with LSM program.The final R= 0.0795. The structural features of the title compound are:Mg(Ⅱ) is octahedral and ethyl acetate is located on trans-position.Mg atoms are connected by double chloro-bridge and form polychains.     

THE SYNTHESIS AND CRYSTAL STRUCTURE OF NdBr_3(i-C_3H_7OH)_2(THF)_2

ＴＨＥ　ＳＹＮＴＨＥＳＩＳ　ＡＮＤ　ＣＲＹＳＴＡＬ　ＳＴＲＵＣＴＵＲＥ　ＯＦ　ＮｄＢｒ＿３（ｉ－Ｃ＿３Ｈ＿７ＯＨ）＿２（ＴＨＦ）＿２￥ＨｏｎｇＹｅＳＵＮ；ＣｈｕｎＨｕｉＨＵＡＮＧａｎｄＧｕａｎｇＸｉａｎＸＵ（ＲｅｓｅａｒｃｈＣｅｎｔｅｒｏｆＲａｒｅＥ...     

SYNTHESIS AND CRYSTAL STRUCTURE OF Pr(NO_3)_3(Me_2-16-C-5)

<正> The complex Pr (NO3)3 (Me2-16-C-5) (Me2-16-C-5 = 3, 3-dimethyl-1,5,8,11,14-pentaoxacyclohexadecane) crystallizes in the hexagonal space group P65with a = b = 13. 145(2), c=25. 611(5) A ; Z = 6; V = 3832(1)A3; Dc = 1. 53gcm-3; F (000) = 1776;μ= 19. 7cm-1 (MoKa). The final refinement converged with R = 0. 049 and Rw = 0. 051 for 2005 observed reflections. The Pr(Ⅲ) ion is 11-coordinated to three bidentate nitrate groups and five oxygen atoms of a crown ether. The average Pr -O(crown) and Pr -O(NO3-) bond lengths are 2. 68 and 2. 57A , respectively.     

PREPARATION AND CRYSTAL STRUCTURE OF A HETEROBINUC- LEAR COPPER (Ⅱ)-ZINC(Ⅱ) COMPLEX WITH μ-OXAMIDO LIGAND

<正> The complex [Cu(oxap)Zn(phen)2](ClO4)2·H2O·CH3CH2OCH2-CH3(Mr = 980. 61) (oxap = N,N'-bis(2-aminopropyl) oxamido C2O2 (NCH2CH(CH3) NH2)2, phen = 1, 10-phenanthroline) crystallizes in the monoclinic space group P21/n with a=13. 076(4),b=23. 039(7) ,c= 14. 375(3) A,β=98. 11(2)°,V = 4287. 2A3, Z = 4,DX = 1. 541g/cm3,μ=12. 80cm-1 and F(000) = 2020. The final refinement converged with R=0. 067 for 3173 observed independent reflections. The copper(Ⅱ) ion is in an almost planar tetragonal environment while the zinc(Ⅱ) ion is in a distorted octahedron. The Cu....Zn distance is 5. 265A.     

SYNTHESIS AND STRUCTURE OF PERCHLORATOBIS-(2,2''''-BIPYRIDYL) COPPER (Ⅱ) PERCHLORATE

<正> C20H16Cl2CuN4O8,JMr = 574. 82,triclinic,space group PI,a =7. 397 (1),b=11. 172(3),c=15. 185(5)A,α=66. 28(2),β=76. 91(1),γ= 80. 74(2)°,V = 1115. 6A3,Z = 2,D=1. 71g·cm-3,μ=12. 76cm-1,F(000) = 582,R=0. 045,Rw = 0. 048. The Cu atom is coordinated by four N atoms from the two 2,2'-bipyridyls and two O atoms from two ClO4- groups,forming a distorted octahedron. A chain structure is developed through the coordinated ClO4-.     

CRYSTAL STRUCTURE OF COMPLEX OF Cu(Ⅱ) AND o-HYDROXYLBENZYLAMINE-O,N,N-TRIACETIC ACID(HBATA)

<正> [Cu(H2O)6][CuC13H12NO7]2.2H2O,Mr=904.5, Monoclinic, P21/n,a= 8.287(2), b=20.462(3), c=10.921(2)A,β=108.90(2), Z=2, V=1752.2A3, Dc=1.750 g/cm3, μ=13.166cm-1, R=0.042 for 2524 observed reflections. The title complex contains a [CuC13H12NO7]22- dimeric anion which consists of two mono-anions related by centrosymmetry and connecting each other by coordination bond Cu-O.The dimeric complex anion is compatible with an aquo-Cu(Ⅱ) cation that is located in centrosymmetric position. Here all Cu(Ⅱ) ions are six-coordinated with distorted octahedral configuration.     

SYNTHESIS AND STRUCTURE OF Cu(Ⅱ)COMPLEXES BY OXIDATIVE ADDITION OF DIBENZOYL PEROXIDE ON METALLIC COPPER

Dibenzoyl peroxide undergoes oxidative addition on metallic copperpowder with 2,2′-bipyridine(or imidazole)in a mixed solvent(methanol andtetrahydrofuran),and affords the Cu(Ⅱ)complexes-[Cu(Ce(C_6H_5COO)_2(2,2'-bipy)]H_2O(1)and[Cu(C_6H_5COO)_2(C_3H_4N_2)_2](2).The structure was solved by direct methodsand Fourier synthesis.C_(24)H_(20)N_2O_5Cu (1),Mr=479.78,space group P2(1)/c,a=6.986(7),b=18.833(I),c=17.021(3),α=γ=90°,Z=4,V=2218.1~3,Dc=1.443g/cm\+3,R=0.055Rw=0.062.Complex(2),C_(20)H_(18)N_4O_4Cu(2),Mr=441.74,space group P2(1)/n,a=8.699(4),b=9.840(6),c=12.399(5),α=γ=90°,β=100.8°,Z=4,V=1010.9~3,Dc=1.654g/cm\+3,R=0.055,Rw=0.062.     

MOLECULAR AND CRYSTAL STRUCTURE OF (μ-HOCH_2 CH_2 S)_2 Fe_2 (CO)_4(PPh_3)_2

<正> The molecular and crystal structure of the complex (μ-HOCH2CH2-S)2 Fe2(CO)4(PPh3)2 synthesized by reaction of ethylene epoxide with (μ-Lis)2Fe2(CO)6, followed by EtOH alcoholysis and PPh3 substitution,was determined by X-ray diffraction technique. The crystals are triclinic,space group P 1,with a= 10. 902(2),b=12. 106 (2),c=16. 123(4) A ,V= 2079. 36A3,α=78. 13(1),β=89. 37(2),γ=87. 93(1)°, Z = 2,Dx=1. 44 g/cm3.μ(MoKa) = 9. 149cm-1, F(000) = 940. The final R and Rw equal to 0. 055 and 0. 068,respectively,for 3598 observed independent reflections. In this molecule two PPh3 ligands are trans to the Fe - Fe bond and axially coordinated to two iron atoms. In addition,two hydroxylethyl groups are attached to bridging sulfur atoms by e-type of bond and thus this molecule is an ee conformer.     

THE CRYSTAL AND MOLECULAR STRUCTURE OF Cu_2(■-OCH_2COO)_4(DMF)_2

<正> INTRODUCTION. The complexes of some transition metals with plant growth regulators still have growth-regulating activity. For example the copper(Ⅱ) chelates of N-phenyl thalaminic acid derivatives are this type complexes. We have synthesized complex of Cu(Ⅱ) with β-naphthoxyacetic acid which has the action of stimulating plant growth. The crystal structure of Cu_2(β-C_(10)oH_7OCH_2COO)_4(DMF)_2 has been determined.     

SYNTHESIS AND CRYSTAL STRUCTURE OF (1,7-Dimethyl-1,4,7,10-TETRAAZACYCLODODECANE)(BROMO) COPPER PERCHLO-RATE

<正> The crystal of complex [Cu(C10H24N4)Br]ClO4(C10H24N4 = 1, 7-dimethyl-1, 4, 7, 10-tetraazacyclododecane) belongs to orthorhombic space group Pca21 with a = 27. 545(14), b = 9.335(8), c=13. 104(9)(?), V = 3369(?)3, Z = 8, Dc=1. 740g/cm3, F(000) = 1784, μ(Mo) = 3. 827mm-1. The five-coordinated Cu (II) is in a square-pyramidal environment with Cu(Ⅱ) being 0. 57(0. 01)(?). above the plane containing the four N atoms of the macrocyclic ligand. Weak hydrogen bonds between two complex cations induce the formation of the dimers of the complex cations.     

CRYSTAL AND MOLECULAR STRUCTURE OF { CNa(15-crown-5)]_n [Cd(SCN)_3]}_n

<正> The complex [Na(15-crown-5)] [Cd(SCN)3] (15-crown-5 = C10H20 O5) crysializes in monoclinic space group P21/c with a=10. 219(2) ,b= 10. 575(2) ,c= 20. 572(2) A ,β=98. 45(1)°,V= 2198. 7A3,Mr=529. 89,Z = 4,Dx=1. 600g/cm3,F (000) -1052,μ= 15. 708cm-1. The structure was solved by direct methods with the final R=0. 064. Results of structure analysis indicate that the Na ion is bonded by 15-crown-5 to form a complex cation and the Cd(Ⅱ) is bonded by six SCN ion to form an anion chain with a distorted octahedral coordination.