A new binuclear copper(Ⅱ) complex, [Cu2(phen)2(H2O)2( μ2-C2O4)](NO3)2, has been synthesized and characterized by elemental analysis, IR and UV-Vis spectrum. Its crystal structure was determined by single crystal X-r...A new binuclear copper(Ⅱ) complex, [Cu2(phen)2(H2O)2( μ2-C2O4)](NO3)2, has been synthesized and characterized by elemental analysis, IR and UV-Vis spectrum. Its crystal structure was determined by single crystal X-ray diffraction techniques. Crystal data: monoclinic, space group P21/c, a=0.712 21(8) nm, b=1.170 93(14) nm, c=1.783 7(2) nm, β=111.828(2)°, and V=1.380 8(3) nm3, Dc=1.769 Mg·m-3, Z=2, F(000)=744, R1=0.025 4, wR2=0.069 5, Gof=1.077, Δρ=328^-455 e·nm-3. The complex is packed by one centrosymmetry binuclear copper(Ⅱ) unit, oxalate dianion and NO3- anion. In the molecule structure of the title complex, two Cu(Ⅱ) ions are bridged by oxalate dianion and each Cu(Ⅱ) ions coordinates with two nitrogen atoms from 1,10-phenanthroline ligand and one oxygen atom from water to form a five-coordinate distorted square-pyramidal configuration. The hydrogen bonds are observed between coordinated water molecules and NO3- anions. The analysis of the crystal structure indicates that the complex has a two-dimensional stacking network structure, which is formed by intramolecular hydrogen bonds, intermolecular hydrogen bonds and stacking effect of aromatic ring. CCDC: 255345.展开更多
The title cluster compound [WS4Cu3Br(bipy)2] has been synthesized by the reaction of (NH4)2, CuBr and 2,2′ bipy in DMF solution. Single crystal X ray diffraction data show that the compound has a nest shaped structur...The title cluster compound [WS4Cu3Br(bipy)2] has been synthesized by the reaction of (NH4)2, CuBr and 2,2′ bipy in DMF solution. Single crystal X ray diffraction data show that the compound has a nest shaped structure. Nonlinear optical properties (NLO) of the cluster were investigated by a Z scan technique with a pulsed laser at 532nm. The cluster exhibits the strong NLO absorption and a self defocusing effect (effective non linear absorption coefficient, α2eff=7.3×10-11mW-1; effective non linear refractive index, n2eff=3.9×10-11esu) when measured in a 6.0×10-4mol·dm-3 DMF solution. CCDC: 200397.展开更多
A new type of three-dimensional open-framework copper chloride,prepared simply by the hydrothermal treatment of CuCl2·H2O and melamine,is built up from unusual chloride bridged｛Cu4Cl4｝distorted cubane units con...A new type of three-dimensional open-framework copper chloride,prepared simply by the hydrothermal treatment of CuCl2·H2O and melamine,is built up from unusual chloride bridged｛Cu4Cl4｝distorted cubane units connected by sharing copper cations and has voids in the framework.Each Cu with six Cl atoms forms the distorted octahedron.The crystal is triclinic,Space group Pī,lattice parameters,a=6.1020（12）?,b=6.7860（14）?,c=9.0570（18）?,α=89.67（3）°,β=80.15（3）°,γ=89.45（3）°,V=369^49（13）?3,Z=2,Dc=2.417g·cm-3,F（000）=252,R1=0.0922,and wR2=0.2720.展开更多
A novel Cu (Ⅱ) complex of 1-phenyl-3-methyl-4-acyl-5-pyrazolone was synthesized and crystallogra- phically characterized. The single-crystal structure of the complex reveals that the crystal belongs triclinic, space ...A novel Cu (Ⅱ) complex of 1-phenyl-3-methyl-4-acyl-5-pyrazolone was synthesized and crystallogra- phically characterized. The single-crystal structure of the complex reveals that the crystal belongs triclinic, space group P1 with cell parameters a=0.938 7(4) nm, b=1.124 4(5) nm, c=1.222 3(5) nm, α=99.538(7)°, β=104.049(8)°, γ=113.806(6)°, and Z=2, V=1.093 3(8) nm3. Cu(Ⅱ) ion is coordinated by two 1-phenyl-3-methyl-4-acyl-5-pyrazolone ligands, and one methanol molecule giving a coordination number of five, the coordination polyhedron around Cu(Ⅱ) ion can be described as a square pyramid. Two complex units link to each other through the hydrogen-bonding interactions to form a dimer. Meanwhile, a staircase-like layer structure was built up by offset face-to-face π…π stacking interactions and weak interactions between the dimers.展开更多
The title complex Cu[C5H3N(CCH3=N-C6H5)2]2(PF6)2 has been synthesized by r eaction of Schiff base C5H3N(CCH3=N-C6H5)2 and cupric sulfate in toluene solut ion. The crystal structure was determined by X-ray diffraction ...The title complex Cu[C5H3N(CCH3=N-C6H5)2]2(PF6)2 has been synthesized by r eaction of Schiff base C5H3N(CCH3=N-C6H5)2 and cupric sulfate in toluene solut ion. The crystal structure was determined by X-ray diffraction method and the chemical formula weight of the complex is 1041.85. The crystal structure belongs to triclinic system with spacegroup and cell parameters: a=12.6470(10) , b=14. 123(2) , c=15.613(2);á=66.150(10)a=79.470(10)?=78.290(10)穖-3 and F(000)=1064. The final R:R1=0.0668, wR 2=0.1927; R(all data): R1=0.1133, wR2=0.2357. The Cu was coordinated by six nitrogen, at the same time the Cu formed a distorted octahedron, besides the angles and pl anes of this compound were discussed . The result of kinetics of the thermal dec omposition indicated that the first step of it is 2 series chemical reactions, t he function of machanism is f(a)=(1-a)2, and the activation energy is 144.64E/ kJ. CCDC: 180872.展开更多
A new compound [Cu（AFO）2（N3）2]（DMF）（H2O）（AFO=4,5-diazafluorene-9-one）was synthesized.Its structure was determined by single X-ray diffraction.The crystal belongs to monoclinic system,space group C2/c.The cry...A new compound [Cu（AFO）2（N3）2]（DMF）（H2O）（AFO=4,5-diazafluorene-9-one）was synthesized.Its structure was determined by single X-ray diffraction.The crystal belongs to monoclinic system,space group C2/c.The crystallographic data,were determined a=1.2609（2）nm,b=0.8000（1）nm,c=2.6220（4）nm,β=109.964（6）°,V=2.4859（6）nm3,Z=4,F（000）=1236,Mr=603.07,Dc=1.611 Mg/m3,μ=0.937 nm-1,R1=0.0561,and wR2=0.1290.In the crystal Cu（II） atom is coordinated with four nitrogen from two AFO ligands and two nitrogen atoms from two azide ions to form an elonged-octahedron geometry.展开更多
文摘A new binuclear copper(Ⅱ) complex, [Cu2(phen)2(H2O)2( μ2-C2O4)](NO3)2, has been synthesized and characterized by elemental analysis, IR and UV-Vis spectrum. Its crystal structure was determined by single crystal X-ray diffraction techniques. Crystal data: monoclinic, space group P21/c, a=0.712 21(8) nm, b=1.170 93(14) nm, c=1.783 7(2) nm, β=111.828(2)°, and V=1.380 8(3) nm3, Dc=1.769 Mg·m-3, Z=2, F(000)=744, R1=0.025 4, wR2=0.069 5, Gof=1.077, Δρ=328^-455 e·nm-3. The complex is packed by one centrosymmetry binuclear copper(Ⅱ) unit, oxalate dianion and NO3- anion. In the molecule structure of the title complex, two Cu(Ⅱ) ions are bridged by oxalate dianion and each Cu(Ⅱ) ions coordinates with two nitrogen atoms from 1,10-phenanthroline ligand and one oxygen atom from water to form a five-coordinate distorted square-pyramidal configuration. The hydrogen bonds are observed between coordinated water molecules and NO3- anions. The analysis of the crystal structure indicates that the complex has a two-dimensional stacking network structure, which is formed by intramolecular hydrogen bonds, intermolecular hydrogen bonds and stacking effect of aromatic ring. CCDC: 255345.
文摘The title cluster compound [WS4Cu3Br(bipy)2] has been synthesized by the reaction of (NH4)2, CuBr and 2,2′ bipy in DMF solution. Single crystal X ray diffraction data show that the compound has a nest shaped structure. Nonlinear optical properties (NLO) of the cluster were investigated by a Z scan technique with a pulsed laser at 532nm. The cluster exhibits the strong NLO absorption and a self defocusing effect (effective non linear absorption coefficient, α2eff=7.3×10-11mW-1; effective non linear refractive index, n2eff=3.9×10-11esu) when measured in a 6.0×10-4mol·dm-3 DMF solution. CCDC: 200397.
文摘A new type of three-dimensional open-framework copper chloride,prepared simply by the hydrothermal treatment of CuCl2·H2O and melamine,is built up from unusual chloride bridged｛Cu4Cl4｝distorted cubane units connected by sharing copper cations and has voids in the framework.Each Cu with six Cl atoms forms the distorted octahedron.The crystal is triclinic,Space group Pī,lattice parameters,a=6.1020（12）?,b=6.7860（14）?,c=9.0570（18）?,α=89.67（3）°,β=80.15（3）°,γ=89.45（3）°,V=369^49（13）?3,Z=2,Dc=2.417g·cm-3,F（000）=252,R1=0.0922,and wR2=0.2720.
文摘A novel Cu (Ⅱ) complex of 1-phenyl-3-methyl-4-acyl-5-pyrazolone was synthesized and crystallogra- phically characterized. The single-crystal structure of the complex reveals that the crystal belongs triclinic, space group P1 with cell parameters a=0.938 7(4) nm, b=1.124 4(5) nm, c=1.222 3(5) nm, α=99.538(7)°, β=104.049(8)°, γ=113.806(6)°, and Z=2, V=1.093 3(8) nm3. Cu(Ⅱ) ion is coordinated by two 1-phenyl-3-methyl-4-acyl-5-pyrazolone ligands, and one methanol molecule giving a coordination number of five, the coordination polyhedron around Cu(Ⅱ) ion can be described as a square pyramid. Two complex units link to each other through the hydrogen-bonding interactions to form a dimer. Meanwhile, a staircase-like layer structure was built up by offset face-to-face π…π stacking interactions and weak interactions between the dimers.
文摘The title complex Cu[C5H3N(CCH3=N-C6H5)2]2(PF6)2 has been synthesized by r eaction of Schiff base C5H3N(CCH3=N-C6H5)2 and cupric sulfate in toluene solut ion. The crystal structure was determined by X-ray diffraction method and the chemical formula weight of the complex is 1041.85. The crystal structure belongs to triclinic system with spacegroup and cell parameters: a=12.6470(10) , b=14. 123(2) , c=15.613(2);á=66.150(10)a=79.470(10)?=78.290(10)穖-3 and F(000)=1064. The final R:R1=0.0668, wR 2=0.1927; R(all data): R1=0.1133, wR2=0.2357. The Cu was coordinated by six nitrogen, at the same time the Cu formed a distorted octahedron, besides the angles and pl anes of this compound were discussed . The result of kinetics of the thermal dec omposition indicated that the first step of it is 2 series chemical reactions, t he function of machanism is f(a)=(1-a)2, and the activation energy is 144.64E/ kJ. CCDC: 180872.
文摘A new compound [Cu（AFO）2（N3）2]（DMF）（H2O）（AFO=4,5-diazafluorene-9-one）was synthesized.Its structure was determined by single X-ray diffraction.The crystal belongs to monoclinic system,space group C2/c.The crystallographic data,were determined a=1.2609（2）nm,b=0.8000（1）nm,c=2.6220（4）nm,β=109.964（6）°,V=2.4859（6）nm3,Z=4,F（000）=1236,Mr=603.07,Dc=1.611 Mg/m3,μ=0.937 nm-1,R1=0.0561,and wR2=0.1290.In the crystal Cu（II） atom is coordinated with four nitrogen from two AFO ligands and two nitrogen atoms from two azide ions to form an elonged-octahedron geometry.
