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1.
<正> Biaqua-trichloroacetate-samarium dihydrate, [Sm(CCl3COO)3(H2O)2]-2H2O, Mr=707.54, orthorhombic, space group Pnne, with a = 19.158(5), b = 22.176(4), c= 9.798(4)A, Z= 8, V= 4162.7A3.F{000)= 2696,λ(MoKα)=0.71069A, Dx = 2.258 g/cm3, final R=0.061. The title compound has non-molecular structural character, and its structural units Sm(μ-CCl3COO)s/2-(H2O>2 constitute 2-dinensional infinite chains of Sm(μ-CCl3COO)4Sm(μ-CCl3-COO)2Sm.The Sa(Ⅲ) atom in each unit is bound to two O atoms from aqua-molecules and six 0 atoms from six bridging CCl3COO groups (four of which are shared with the SB atom of another unit, two shared with the Sm atom of a third unit) forming a square antiprism.  相似文献   

2.
<正> C34H28N407U·C4H4O Mr=910.7, monoclinic, Cc, a=12.999(1), b=15.448(2), c=18.481(2) A, β=100.18(2)°, Z=4, DC=1.656 g/cm-3, V=3652.3 A3, final R = 0.035 for 3457 observable reflections. Uranyl ion is coordinated equatorially by four oxygen atoms of PMBP and one oxygen atom of water in a distorted pentagonal bi-pyramid.  相似文献   

3.
<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.  相似文献   

4.
<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.  相似文献   

5.
路嫔  单永奎 《结构化学》1996,15(4):301-306
SynthesisandCrystalStructureofK_8H_5[La(SiW_2Mo_9O_(39))_2(H_2O)_(17)]4H_2OLuBin(DepartmentofChemistry,HarbinNormalUniversity,Har?..  相似文献   

6.
1mTRODUCT1ONBinuclearcoppercomplexesareimportantnotonlyincoordinationchemistryandmagnetostructuralstudiesbutalsoinpracticalapplication.tliInanattempttoseekthedisPersionandemulationreagentsofCWM(themixtureofcoalandwater),thetitlecomP0undwassynthesizedbyanoxidativepreparationmethodt2i,whosesynthesisandstructurearedifferentfromthosedescribedbyWangetoft3i.Here,0nlythesynthesisandstructureofthetitlecomP0undarereportedandthestudiesofitsappli-cationareinprogress.2EXPERIMENTAL2.1Preparati0n…  相似文献   

7.
1 INTRODUCTION Supramolecular approaches to self-assembly of infinite molecular solids with novel structural topo- logies attract considerable attention for their po- tential applications as functional materials and their fascinating architectures[1]. In…  相似文献   

8.
报道2,4-Br2C6H3OCH(CN3)CO2Sn(C6H11)2CU3(1)和2-OCH3-4-CH3CH=CHC6H3OCH2CO2Sn(C6H11)2CH3(H2O)(Ⅱ)的晶体结构和分子结构。(Ⅰ)单斜晶系,空间群P21/c,a=13.067(3),b=10.594(3),c=18.157(4),β=106.99(2)°,Z=4,Dc=1.672g/cm3,V=2403.73,μ=43.731cm-1,Mr=622.99,F(000)=1232;(Ⅱ)单斜晶系,空间群P21/n,a=10.409(1),b= 12.570(2),c=20.664(2),β=83.51(1)°,Z=4,Dc=1.281g/cm3,V=2686.4A3,μ=9.761cm-1,Mr=539.28,F(000)=1120.最后的偏离因子,化合物(Ⅰ)R=0.046,Rω=0.046;化合物(Ⅱ)R=0.049,Rω=0.047。晶体结构解析表明,化合物(Ⅰ)和(Ⅱ)中的锡均被配体的3个碳和2个氧原子配位,配位原子呈畸变三角双锥构型;化合物中的环己基均为椅式构象;化合物(Ⅱ)中,配位水分子和另一分子的羰基氧与芳环上的甲基氧?  相似文献   

9.
<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.  相似文献   

10.
H_(3+n)[AsMo_(12-n)V_nO_(40)]·9H_2O(n=2—4)的结构   总被引:3,自引:1,他引:3  
邓谦  黄幼青 《结构化学》1993,12(6):430-436
X光晶体结构分析证实H_(3+n)[AsMo_(12-n)V_+nO_(40)]·9H_2)(n=2—4)的晶体同构,空间群为P,Z=2。n=2时,a=13.951(5),b=14.137(5),c=13.556(4),α=112.44(2),β=109.49(3),γ=60.77(3)°,V=2120.2,M_r=1943.36,D_c=3.044g.cm~(-3),μ=40.90cm~(-1),F(000)=1828。用6216个I>3σ(I)的独立衍射精修结构,R=0.082;n=3时,a=13.891(7),b=14.076(5),c=13.483(5)A,α=112.34(3),α=109.26(3),γ=60.82(3)°,V=2094.5,M_r=1899.37,D_c=3.011g.cm~(-3),μ=40.63cm~(-1),F(000)=1792。用6699个I>3σ(I)的独立衍射精修结构,R=0.054;n=4时,a=13.854(3),b=14.099(2),c=13.501(4),α=112.09(2),β=109.13(2),γ=61.03(2)°,V=2103.0,M_r=1855.38,D_c=2.92(悬浮法),D_c=2.930g.cm~(-3),μ=39.71cm~(-1),F(000)=1756。用7613个I>3σ(I)的独立衍射精修结构,R=0.044。实验采用MoKα辐射,λ=0.71073,T=296K。杂多阴离子均呈准Keggin结构,12个金属原子呈无序分布,可以M(Mo/V)表示。AsO_4四面体中As—O键长1.66—1.68,O—As—O键角均在109.5°左右。畸变的MO_6八面体中,M—O键长分布在1.63—2.36范围。水分子无序处在晶胞中十四个位置上,除O_w(12)和O_w(13)外的水分子均与杂多阴离子形成氢键,且水分子间形成如沸石中那样的复杂?  相似文献   

11.
<正> Mr=258.57, Monoclinic, P21/a, a=10.907(5), b=8.502(3) ,c=11.083(4) A, β=107.15(3)°, V=982.09A3, Z=4, Dx=1.729 Mgm-3, λ(MoKα)=0.71069A, μ=26.74 cm-1, F(000)=583.90, T=293K. The final R=0.0406 for 1587 unique observed reflections. The demethylcantharate ion acts as a tridentate ligand towards Zn(II) and a monodentate ligand towards another. The oxygen atoms in one carboxylate group bind with two different Zn(II) to form a chain-structure. There are four different types of oxygen coordinating with Zn(II).  相似文献   

12.
1INTRODUCTION Studies on the syntheses,structures,and proper-ties of lanthanide-transition metal complexes are currently of great interest not only due to their beha-viors as good models to investigate the nature of magnetic exchange interactions between3d and4f metal ions in magnetic materials but also to the fascinating coordination properties of Ln(III)[1~6].Although some infinite lanthanide(III)-transition metal compounds have been obtained by the con-ventional self-assembly reacti…  相似文献   

13.
1INTRODUCTION Recently,cyano-bridged lanthanide-transition me-tal complexes have been extensively investigateddue to their potential applications as precursors in the preparation of rare earth orthoferrites,fluores-cent and magnetic materials[1].Various complexes of this system have been obtained in order to ex-plore the relations between structures and pro-perties by using different ligands,such as DMF,4,4?-bipy,and so on,to fill the coordination sites of lanthanide ions[2~9].But up to…  相似文献   

14.
1 INTRODUCTION It is well-known that bismuth and lead display attractive properties as promoting elements in noble metal-based catalysts[1], and thermal decomposition of ammonium metal oxalates can yield crystalline porous materials with a high surface area. This feature makes them attractive as precursors for catalysts and other nanocrystalline oxides[2]. Because of their topology, the oxalates themselves also possess inte- resting properties such as the capability of ion-exchange. The …  相似文献   

15.
A novel complex [Zn(FcCOO)2(2,2'-bipy)(H2O)]2·H2O (Fc = (η5-C5H5)Fe(η5-C5H4), 2,2'-bipy = 2,2'-bipyridine) has been synthesized and characterized by elemental analysis, IR and X-ray diffraction. It crystallizes in monoclinic system, space group P21/c with a = 6.8187(4), b = 21.7155(13), c = 19.7411(12) A, α = 90, β = 97.7420(10), γ = 90o, C64H58Fe4Zn2N4O11, Mr = 1413.28, V = 2896.4(3) A3, Dc = 1.620 g/cm3, Z = 2, F(000) = 1444, μ(MoKα) = 1.857 mm-1, R = 0.0523 and wR = 0.0982 for 3219 observed reflections (I > 2σ(I)). Structural analysis shows that the zinc atom is coordinated with three oxygen atoms from two ferrocenemonocarboxylates and one water molecule together with two nitrogen atoms from 2,2'-bipyridine, giving a distorted square-pyramidal coordination geometry. The complex molecules are linked to form an infinite one-dimensional chain by both intermolecular hydrogen bonds and π-π stacking interactions of the bipyridine rings.  相似文献   

16.
<正> The title complex crystallizes in the monoclinic space group P21/n,with a = 9. 509(2),b=17. 614(6),c=15. 013(3)A ,β=95. 21(1)°,V = 2504. lA3,Mr = 599.91,Z = 4, Dx= 1. 59g/cm3, μ= 15. 66cm-1F (000) = 1248. The structure was solved by direct method and the final R=0. 060. The crystal consists of discrete molecules with symmetric center at the center of the four-member ring consisting of two Ni atoms and two 0 atoms.  相似文献   

17.
One novel polyoxometalate compound connected via trivalent cerium cation as bridge H2{[K(H2O)2]2[Ce(H2O)5]2(H2Mo1.16W10.84O42)}·8H2O 1 was designed and synthesized in aqueous solution. X-ray diffraction analysis reveals that the structure of 1 is a three-dimensional framework assembled from the arrangement of H2Mo1.16W10.84O42 (named paradodecmetalate-B) and Ce(H2O)53+ containing two planes, which are constructed through the unification of H2Mo1.16W10.84O4210- and Ce(H2O)53+ along the [100] and [001] directions. Crystal data: H96Ce4K4Mo2.32O128W21.68, Mr = 7074.89, monoclinic, P21/n, a = 12.5037(17), b = 17.002(2), c = 12.7473(17) A, β = 105.966(2)°, V = 2605.4(6) 3, Z = 1, Dc = 4.509 g/cm3, F(000) = 3132, μ = 26.098 mm-1, R = 0.0377 and wR = 0.0789 (I > 2σ(I)).  相似文献   

18.
魏春红  卫革成 《结构化学》1989,8(3):205-208
<正> (C6H5COCHCOC6H5)SmI2(THF)3,Mr= 843. 75,triclinic space group P1,a=13. 274(3),b=9. 886(3),c= 12. 526(4)A,a= 110. 89(3),B=93. 98(2),y=85. 16(2) ,V=1528. 9(8)A3,Z=2,Dc=1. 83g/cm3, (MoKa) = 0. 71069A,u= 40. 3cm-1,F(000) - 810. The structure was solved by Patterson and Fourier techniques and refined by least-squares method to a final conventional R value of 0.082(Rw= 0. 083). The central Sm(III) ion is coordinated by two iodine ions, two oxygen atoms from C6H5COCHCOC6H5 and three oxygen atoms from three THF molecules to form a distorted pentagonal bipyramid. The Sm-I distances are 3. 103 and 3. 092 A ,The Sm-O (O atom from C6H5COCHCOC6H5) distances are 2. 273 and 2. 307 A and the average Sm -O(THF) distance is 2. 500A.  相似文献   

19.
<正> Mr = 431,.6 orthorhombic,P212121,a = 8.526(2), b = 9.970(2), c= 29.787(6)X,Z=4,V=2532.0A3,Dc=1.132g.cm-3,λ(MoKα)=0.71073A,μ=0.67cm-1, F(000) = 952, final R= 0.069 for 1733 observed reflections with I>1σ(I). All six-membered rings in this free base are in the chair form and the five-membered ring C takes the envelope conformation, with the ring fusions A/B traps, B/C trans, C/D cis, D/E trans and E/F trans. There is one crystal water whose oxygen atom joins the adjacent alkaloid molecules by the inter-molecular hydrogen bonds O(1)-H... 0(3)-H(31)...0(2)=C(6). Pertinent parameters for the hydrogen bonding system are: .0(1)...0(3) 2.878(6), 0(2)...O(3) 2.917(6)A,O(1)-H...O(3) 178.3(3)°,and 0(3)-H(31)...0(2) 165.6(3)°.  相似文献   

20.
<正> C12H40O25Br4MoW2Zn, Mr=1432. 75,Monoclinic,Space group C2/c,a= 13. 239(2),b= 16. 215(3),c= 17. 670(3) A ,β= 105. 53(2) ,V=3654 A3,Z= 4,μ= 64. 0cm-1,λ(MoKa) = 0. 71073 A , F (000) = 2688, Dc = 2. 605g/cm3. Final R = 0. 042,Rw = 0. 057 for 2688 observed independent reflections.  相似文献   

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