CRYSTAL STRUCTURE OF ORGANOMETALLIC COMPLEX [Zn（pom）2Br2]

<正> Organometallic complex [Zn (pom)2Br2] (pom = 3-M ethyl-4-Ni-tropyridine-1-Oxide), C12H12Br2N4O6Zn, MT = 533. 44, triclinic, P1, a = 11. 450 (3), b = 13. 027(2), c=6. 605(1)A, α=101. 25(1),β=96. 96(2), γ=108. 06 (2)°,V = 901.2(4)A3, Z = 2, Dc=1. 97 gcm-3,λ(MoKa) = 0. 71069A , F(OOO) = 520, μ= 58. 21cm-1, final R = 0. 040 for 2192 observed reflections, T = 296K. The compound is a mononuclear complex, containing a tetrahedrally coordinated zinc atom.     

STUDY OF THE CORRELATION BETWEEN THE STRUCTURE OF THE [Ir(сod)Cp] COMPLEX AND ITS THERMAL PROPERTIES

Journal of Structural Chemistry - A volatile iridium(I) complex [Ir(cod)Cp] (cod - 1,5-cyclooctadiene, Cp - cyclopentadienyl) is synthesized and characterized by IR and NMR spectroscopy. The...     

REPLACED SITE OF Eu~(2+) ION IN THE COMPLEX FLUORIDES WITH THE PEROVSKITE CRYSTAL STRUCTURE

The replaced site of Eu~(2+) ion is dependent on the electronegativitydifference of the cations in complex fluorides.In the mixed fluorideKMgF_3:Eu~(2+),Eu~(2+) ion occupies K~+ site,its emission spectrum is a sharpline and its valence-state is stable.     

SYNTHESIS AND CRYSTAL STRUCTURE OF Eu[（CH3O）2PO2]3

<正> The title complex has been synthesized and characterized by elementary analysis,FT-IR and Raman spectra. The crystal and molecular structure was determined by X-ray diffraction analysis. The crystal of this complex C6H18O12P3Eu(Mr = 527. 08) is monoclinic with space group P21/c and cell parameters a= 10. 418(2) ,b= 16. 596(6) ,c =10. 766(2) A ,β=111. 67(2)°,V=1729. 8(8) A3 and Z=4. Dimethyl phosphate an-ions coordinate with europium ions through double O-P-O bridges to form a special network of rings-linking-rings. The local coordination geometry of Eu is a slightly distorted octahedron.     

SYNTHESIS AND CRYSTAL STRUCTURE OF THE LANTHANIDE COMPLEX WITH MIXED LIGANDS [Pr (CH_3COO)_2(NO_3)(Phen)]_2

<正> [Pr(CH3COO)2(NO3)(Phen)]2, Mr = 1002. 41. The crystal is monoclinic, space group I2/m, with a = 11. 725(5), b = 12. 269(5), c=12. 732(4) A, V = 1792(2)A3,β=101. 88(0)°. Z = 2, Dc=1. 86g/cm3,μ(MoKa) = 27. 5cm-1, F (000) = 984. The structure was solved by Patterson method and Fourier syntheses, and refined by full matrix least-squares method to R = 0. 033 for 1660 observed reflections with I>3σ(I). The molecule of the complex is a dimer and each praseodymium atom is eight-coordinated in a distorted square antiprism geometry.     

THE MOLECULAR AND CRYSTAL STRUCTURE OF [Et4N]2[Fe2S2（NO）4]

<正> The compound [Et_4N]_2[Fe_2S_2(NO)_4] (M_r=556.36) crystallizes in the monoclinic,space group P 2_1/n with a=9. 688(3), b=10. 882(2), c=12. 625(2), β=97. 86(3)°, Z=2, V=1318. 4, D_c=1. 40g/cm~3, ;μ(MoK_a)=12. 8cm~(-1) and F(000)=588. The final R=0. 028 and R_w=0. 029 for 2041 reflections (I≥3σ(I)).The crystals of [Et_4N]_2[Fe_2S_2(NO)_4] consist of discrete cations [Et_4N]~+ and anions     

CRYSTAL AND MOLECULAR STRUCTURE OF A NEW ISOMER OF THE COMPLEX W2S4[S2P（OEt）2]2

<正> C8H20O4P2S8W2, Mr = 866. 37, monoclinic, space group P21/ n, α= 10. 122(2),b=12. 813(3),c=18. 267(3) A ;β=90. 25(1)°;7 = 2639(2) A3;Z=4; Dc=2. 43gcm-3;λ(Mo Kα) = 0. 71069A ,μ= 110. 80cm-1,F(000) = 1624,final R = 0. 039 for 2906 observed reflections with I≥3σ(I). The tungsten atom in W2S4[S2P (OEt)2]2 is coordinated by five sulfur atoms,forming a square pyramid. Two WS5 units are linked together by sharing a S-S edge.     

SYNTHESIS AND CRYSTAL STRUCTURE OF A HETERODINUCLEAR COMPLEX OF PALLADIUM SILVER WITH BRIDGING BIS-( DIPHENYLPHOSPHINO ) METHANE [ 1 ]

<正> A heterodinuclear complex, trans- dicyano- palladium (Ⅱ)- bis [β- bis (diphenylphosphino)methane]-nitritosilver(Ⅰ),has been prepared by treatment of trans-(NC)2Pd(dppm)2 with AgNO2 and characterized by elementary analysis, ir, nmr, and X-ray crystal structure determination. AgPdC52H44N3O2P4,Mr= 1081. 12,monoclinic,space group P21/c,a=14. 745(7),b= 19. 208(7),c= 17. 486(6) A ,β=94. 99°(2) ,and Z = 4. The final R=0. 032 for 8673 unique reflections. In the molecule,the Pd -Ag distance is 3. 205 A. The palladium moiety has an approximately square planar geometry, and the silver moiety has a severely distorted tetrahedral geometry.     

CRYSTAL AND MOLECULAR STRUCTURE OF AuCSC(NH_2)_2]_2CiO_4 CONTAINING TWO-COORDINATE COMPLEX CATION

<正> Au [SC(NH2)2]2C1O4, Mr,= 448. 66, orthorhombic, Pcca, α= 17. 873 (2),b = 8. 2933(7), c = 7. 196(2) A V=1066. 6A3,Z=4,DC = 2. 794g·cm-3,R= 0. 049,Rw=0. 068 for 807 observed reflections. The structure consists of complex cation Au[SC(NH2)2]2+ and perchlorate ion ClO4-. The gold atom( I ) in the cation has a slightly bent linear coordination geometry.     

THE CRYSTAL AND MOLECULAR STRUCTURE OF THE VIOLET ISOMER OF (⊘P)2[(CF3)2C2S2] RuCO

Abstract

The crystal structure and the details of the molecular configuration of the violet isomer of (?₃ P)₂ [(CF₃)₂ C₂ S₂] -RuCO were established from three dimensional, single crystal, X-ray diffraction data. This isomer crystallizes in the orthorhombic system, space group D¹⁵ ₂h-Pbca, in a cell whose dimensions are: a = 22.394(8), b = 19.107(6) and c = 17.480(5)Å. The measured and calculated densities are 1.56(2) and 1.56 gm-cm^?3 and z = 8 molecules/ unit cell. The shape of the polyhedron of ligands around the central Ru atom is a square pyramid distorted principally by the fact that the Ru—C bond length is shorter than the four bonds to the nearly equidistant phosphorus and sulfur ligands. The dithiolene sulfur atoms occupy adjacent positions in the basal plane; the two triphenylphosphine ligands occupy a basal plane site and the unique axial position while the carbonyl carbon occupies the fourth basal plane site.

The two Ru—S bond lengths are 2.298(3) and 2.287(3) Å, while the two Ru—P distances are 2.353(3) and 2.274(3) A in length, the latter being the basal plane Ru—P bond. The Ru—C and C—O bond lengths are 1.849(11) and 1.133(11) Å, respectively. The bonds within the triphenylphosphines are normal and the phenyl rings are planar, nearly equilateral hexagons. The dithiolene ligand has C—S and (ethylene C)—(ethylene C) distances of 1.719(10) and 1.358(12) Å, respectively, which conform more closely to values expected from an unsaturated cis-dithiol than a dithioketone. The closest inter or intramolecular contact between the Ru atom and the phenyl hydrogens is 3.08 A, which is about 0.5 Å longer than the sum of van der Waals' radii. When refinement was complete, the unweighted and weighted R(F) factors, for 2386 observed reflections, were 0.060 and 0.055, with an error of fit of 1.16.     

CRYSTAL STRUCTURE AND SHG EFFECT OF COMPLEX [Zn(POM)_2Br_2]

[Zn(POM)_2Br_2](POM is 3-Methyl-4-Nitropyridine-1-Oxide),C_(12)H_(12)Br_2N_4O_6Zn,Mr=533.44,triclinic,P1,a=11.450(3),b=13.027(2),c=6.605(1),α=101.25(1),β=96.96(2),γ=108.06(2)°,V=901.2(4)~3,Z=2,D_c=1.97g·cm~(-3),(MoK_α)=0.71069,F(000)=520,μ=58.21cm~(-1),final R=0.040 for 2192 observed reflections,T=296K.The compound is amononuclear complex,containing a tetrahedrally coordinated zinc atom.     

THE SYNTHESIS AND CRYSTAL STRUCTURE OF A CUBANE-LIKE MOLYBDENUM-COPPER-SULFUR CLUSTER {Mo3CuS4[S2P(OC2H5)2]3(I)(μ-CCl3(00)CH3CN}

<正> The synthesis and crystal structure of the cubane-like cluste with [Mo3CuS4] core is reported herein. The title compound crystallizes i triclinic space group Pl with the following unit cell dimensions: a 11.723(3), b = 14.353(6), c = 15.533(4)A;α= 75.40(3)°,β=69.13(2)°,γ 64.93(3)°; Z = 2; V = 2196 A3; DC = 2.033 g·cm-3.7704 independent reflec tions were collected on CAM four-circle diffractoneter with MoKa radiatio in the range of 1 < <25°, with only 2083 reflections having intensitie I > 3σ(I). The structure was determined by direct methods and refined b the least-squares method to a final R index of 0.091. There are some distortion in the cubane-like [Mo3CuS4] core, with three Mo-Mo bonds and thre weak Mo-Cu bonds.     

SYNTHESIS,CRYSTAL STRUCTURE AND MAGNETISM OF THE COMPLEX:GdFe(CN)_64H_2O

ＳＹＮＴＨＥＳＩＳ，ＣＲＹＳＴＡＬ　ＳＴＲＵＣＴＵＲＥ　ＡＮＤ　ＭＡＧＮＥＴＩＳＭ　ＯＦ　ＴＨＥ　ＣＯＭＰＬＥＸ：ＧｄＦｅ（ＣＮ）_６４Ｈ_２ＯＳＹＮＴＨＥＳＩＳ，ＣＲＹＳＴＡＬＳＴＲＵＣＴＵＲＥＡＮＤＭＡＧＮＥＴＩＳＭＯＦＴＨＥＣＯＭＰＬＥＸ：ＧｄＦ...     

DUAL BEHAVIOR OF ACETONITRILE IN A NEW CADMIUM CYANIDE CLATHRATE: CRYSTAL STRUCTURE OF Cd(CH3CN)2Cd(CN)4·2CH3CN

Abstract

We report a new crystal structure of the title clathrate containing tetrahedral and octahedral Cd atoms in a ratio of 1:1. The preparation of the compound is similar to that of the cristobalite-like clathrate Cd(CN)₂·G, where all Cd atoms are tetrahedral. The new inclusion compound crystallizes in the monoclinic space group C2/c, a = 12.337(4), b = 11.964(3), c = 13.594(3) Å, β = 108.60(2)°, Z = 4, R = 0.034 for 1631 reflections. The three-dimensional host framework is built of alternate linkages between the tetrahedral Cd atom of the tetracyanocadmate and the octahedral Cd atom similar to that of the Hofmann-Td and the en-Td types. In the new clathrate dual behavior of acetonitrile, one as a unidentate ligand in the three-dimensional host framework and the other as the guest in the cage-like cavity, has been demonstrated.     

HOMOLEPTIC SAMARIUM(III) COMPLEX OF DIPHENYLARSINATE [Sm(μ-O2AsPh2)3]: CRYSTAL STRUCTURE AND ANTIBACTERIAL ACTIVITY EVALUATION

Journal of Structural Chemistry - Reaction of SmCl3·6H2O with 3 equiv. of dihydroxodiphenylarsonium chloride [Ph2As(OH)2]Cl resulted in the first structurally characterized lanthanide complex...     

CYCLOADDITION REACTION OF THE AZIDO-BRIDGED CYCLOMETALLATED COMPLEX [Pd(dmba)N3]2 WITH CS2. CRYSTAL AND MOLECULAR STRUCTURE OF DI(μ, N,S-l,2,3,4-THIATRIAZOLE-5-THIOLATE)BIS[(N,N-DIMETHYLBENZYL-AMINE-C2,N)PALLADIUM(II)]

Abstract

The 1,3-dipolar cycloaddition of carbon disulfide to the coordinated azide in the cyclometal-lated compound [Pd(dmba)(N₃)]₂ (1), dmba = N,N-dimethylbenzylamine, was investigated. The compound obtained di(μ, N, S-l,2,3,4-thiatriazole-5-thiolate)-bis[(N,N-dimethylbenzylamine-C², N)palladium(II)] (2), was characterized by IR spectroscopy and X-ray diffraction. Complex (2) is dimeric with the two [Pd(N,N-dimethylbenzylamine)] moieties being connected by the two vicinal bridging N, S-l,2,3,4-thiatriazole-5-thiolate anions in a square-planar coordination for the palladium atoms.