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1.
In ethanol, a new mononuclear nickel(Ⅱ) complex incorporating Schiff base ligands, [NiL2](DMF)4 (HL=2′-(4-fluorobenzylidene)-3,5-dihydroxybenzoylhy drazide) has been synthesized and characterized by IR, UV-Vis, elemental analysis and X-ray crystal structure analysis. The single crystal structure has been determined by single-crystal X-ray diffraction structure analysis. The crystal belongs to monoclinic system, space group P21/c with a=1.617 3(2) nm,b=1.798 5(2) nm, c=0.737 61(10) nm, β=91.953(3)°, V=2.144 3(5) nm3, Z=2, μ=0.526 mm-1, Dc=1.390 g·cm-3, F(000)=940, Rint=0.105 3. In the compound nickel(Ⅱ) atom is four-coordinated with two nitrogen atoms from amide and two oxygen atoms from keto group. The complex has the centrosymmetry and the nickel(Ⅱ) ion is located in the center. CCDC: 675522.  相似文献   

2.
牛磺酸合铜螯合物的合成及晶体结构   总被引:14,自引:0,他引:14       下载免费PDF全文
The new chelate complex formulated [Cu(NC2H6SO3)(phen)(CH3CO2)]·2H2O (phen is o-phenanthroline) has been synthesized and the crystal structure was determined by X-ray diffraction. The crystal structure of the complex belongs to triclinic system with space group and unite cell parameters: a=7.298(1)?, b=11.573(2)?, c=11.942(3)?;α=69.77(1)°, β=80.05(1)°, γ=76.39(1)°, V=915.2(3)?3Z=2, F(000)=478. Dc=1.680g·cm-3, μ=1.354mm-1S=1.045. In the crystal structure Cu(Ⅱ) ion is five-coordinated to form a distorted tragonal cone. CCDC: 193112.  相似文献   

3.
The trinuclear nickel(Ⅱ) complex Ni3(C11H11N2O3)2(C5H5N)4 was prepared by the reaction of Ni(OAc)2·4H2O with N-butylsalicylhydrazide Schiff base ligand and characterized by X-ray crystallography. The crystal belongs to triclinic, Mr=930.91, space group P1 with cell parameters a=9.8489(2)?, b=12.3110(2)?, c=18.4035(3)?, α=71.353(2)°, β=76.638(2)°,γ=84.815(2)°,V=2056.72(6)?3Z=2,Dc=1.503g·cm-3, μ(MoKα) =1.417mm-1F(000)=964, R=0.0317, wR=0.0868. A total of 5393 independent reflections were collected, of which 4448 reflections with I ≥ 2σ(I) were observed. There are two centrosymmetrical trin-uclear molecules in a unit cell, each molecule exhibits a linear trinuclear metal arrangement with the Ni…Ni…Ni angle of 180°. The interatomic distances between the nickel atoms on the two sides are 9.2030(8)? and 9.1876(9)? for the two molecules, respectively. The central nickel atom adopts an axially elongated octahedral geometry whereas the nickel atoms on the two sides have square-planar coordination environment. CCDC: 194083.  相似文献   

4.
A mononuclear Cobalt(Ⅱ) complex [CoL(H2O)2]n (H2L: 4,4′,6,6′-Tetrabromo-2,2′-[ethylenedioxybis(nitrilomethylidyne)]diphenol), has been synthesized and structurally characterized by elemental analysis, IR and X-ray diffraction single crystal structure analysis. The crystal of the complex belongs to monoclinic space group P21/c with a=2.516 8(3) nm, b=1.023 43(18) nm, c=0.789 17(14) nm, β=91.375(2)°, V=2.032 1(5) nm3, Z=4, Dc=2.317 Mg·m-3, μ(Mo Kα)=8.747 mm-1, F(000)=1 356, R1=0.049 7, wR2=0.110 4. The crystal structure of [CoL(H2O)2]n indicates that the complex consists of one cobalt(Ⅱ) atom, one L2- unit and two coordinated water molecules, and the coordination number of the cobalt(Ⅱ) atom is six. One-dimensional chain supramolecular structure is formed by intermolecular hydrogen bonds and π-π stacking of neighboring benzene rings. CCDC: 652649.  相似文献   

5.
The novel dibenzyltin bis(2-quininate) has been synthesized. The crystal structure of the complex was determined by X-ray diffraction. The crystal belongs to monoclinic space group P21/c with a=1.840 05(14) nm, b=2.353 66(18) nm, c=2.044 31(16) nm, β=99.3130(10)°, V=8.736 9(12) nm3, Z=4, Dc=1.507 g·cm-3, μ(Mo Kα)=9.21 cm-1, F(000)=4 016, R1=0.041 4, wR=0.082 1. In this compound, the tin atom rendered six-coordinated in a distorted octahedron geometry. The study on title complex has been performed, with quantum chemistry calculation by means of G98W package and taking Lanl2dz basis set. The stabilities of the complex, the orbital energies and composition characteristics of some frontier molecular orbitals have been investigated. CCDC: 609510.  相似文献   

6.
A new complex with mixed-quadriligand [Ce(CH2=C(CH3)-COO)2(NO3)(phen)]2 has been synthesized in aqueous solution of slight acidity and characterized by elementary analysis, IR and TGA. The crystal structure determination shows that the complex belongs to triclinic, space group P1, a=9.614?, b=10.047?, c=11.821?, Z=2, α=100.88(3)°, β=106.29(3)°, γ=97.93(2)°, V=1054(5)?3, Dc=1.741g·cm-3, F(000)=546.00, μ(MoKα)=22.06cm-1. And the crystal is consisted of a binuclear molecule. The coordina-tion of Ce3+ is nine.  相似文献   

7.
The complex Cu2(μ-dppb)2(μ-Cl)2 has been synthesized from the reaction of CuCl, dppb and (n-Bu)4NCl. The crystal belongs to the triclinic with space group P1. The unit cell parameters are: a=9.939(4)?, b=10.083(6)?, c=14.104(5)?, α=76.46(3)°, β=71.02(2)°, γ=70.87(5)°. The single crystal X-ray diffraction analysis reveals that it has a bi-ring structure with a symmetry center at the middle of two Copper atoms. The outer ring is a 14-membered ring of Cu-dppb-Cu-dppb, and the inner ring is a 4-membered ring composed of two Cl- and two Cu(Ⅰ). Investigation of third-order optical nonlinearity shows that it exhibits considerable nonlinear absorptive and self-defocusing effect with α2=1.75×10-13m·W-1 and n2=3.19×10-18m2·W-1. CCDC: 193113.  相似文献   

8.
[Cu(TO)2(H2O)4](PA)2的合成和晶体结构   总被引:4,自引:0,他引:4       下载免费PDF全文
[Cu(TO)2(H2O)4](PA)2 was prepared by mixing the aqueous solution of 1,2,4-triazol-5-one(TO) and Cu(PA)2. The molecular structure and crystal structure of the title complex was determined by X-ray single crystal diffraction method. The crystal is triclinic, space group with a=0.7321(1)nm,b=0.7474(2)nm,c=1.3649(3)nm;α=88.65(2)°,β=85.63(1)°,γ=63.35(1)°;V=0.6655(2)nm3,Z=1. The Cu2+ coordinated with two TO molecule through its 2-nitrogen atom and four water molecules and showed an octahedral configuration.  相似文献   

9.
2D氢键网状Mg(Ⅱ)配合物的合成和晶体结构   总被引:1,自引:0,他引:1       下载免费PDF全文
The title complex [Mg(H2O)6]·(L)·(H2O) [L=2-formyl-benzenesulfonate-hydrazine] was synthesized by the reaction of magnesium chloride hexahydrate with 2-formyl-benzenesulfonic acid sodium-hydrazine in the CH3CH2OH/H2O. It was characterized by elemental analysis, IR and X-ray single crystal structure analysis. The crystal of the title complex [Mg(H2O)6]·(C14H12N2O7S2)·(H2O) belongs to triclinic, space group P1 with a=0.781 09(12) nm, b=0.781 27(13) nm, c=0.995 68(19) nm, α=102.054(2)°, β=92.331 0(10)°, γ=105.500(2)°, V=0.569 59(17) nm3, Z=1, Dc=1.559 Mg·m-3, μ=0.334 mm-1, F(000)=280, and final R1=0.033 9, wR2=0.091 6. The complex comprises a six-coordinated magnesium(Ⅱ) center, with a O6 distorted octahedron coordination environment. The molecules are connected by hydrogen bonds to form two dimensional network structures. CCDC: 716601.  相似文献   

10.
In ethanol, a mononuclear cobalt(Ⅱ) complex incorporating 2′-(2-Thienylidene)-2-Hydroxybenzoylhydra-zide has been synthesized and characterized by IR, UV-Vis, elemental analysis and X-ray crystal structure analysis. The crystal belongs to triclinic system, space group P1 with cell constant, a=1.230 69(10) nm, b=1.329 18(11) nm, c=1.330 56(11) nm, α=113.702(2)°, β=91.590(2)°, γ=100.846(2)°, V=1.944 4(3) nm3, Z=2, μ=0.662 mm-1, Dc=1.482 g·cm-3, F(000)=896, Rint=0.048 7. The crystal structure shows an anionic didentate ligand O and N donors in this work. The cobalt(Ⅲ) atom is hexacoordinated with oxygen atom from keto group and nitrogen atom from amide to form a cobalt atom for the core octahedral structure. CCDC: 748882.  相似文献   

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