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=2.35...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.展开更多
The complex [Cu(m-NBA)(2,2'-bipy)(H2O)2]·m-NBA·H2O was obtained by self-assembly of m-nitroben-zoic acid,2,2'-bipyridine and copper(Ⅱ).The crystal structure of the complex has been determined by X-r...The complex [Cu(m-NBA)(2,2'-bipy)(H2O)2]·m-NBA·H2O was obtained by self-assembly of m-nitroben-zoic acid,2,2'-bipyridine and copper(Ⅱ).The crystal structure of the complex has been determined by X-ray diffraction single crystal structure analysis.The crystal belongs to monoclinic system,space group P21/n.The cell parameters are:a=0.705 65(9) nm,b=2.901 2(4) nm,c=1.271 52(2) nm;β=92.895(2)°,and V=2.599 8(6) nm3,Dc= 1.551 g·cm-3,Z=4,μ(Mo Kα)=9.09 cm-1,F(000)=1 244,R1=0.040 7,wR2=0.085 5[I>2σ(I)].The crystal structure shows that the copper(Ⅱ) ion is coordinated with two nitrogen atoms from one 2,2'-bipyridine molecule,one oxygen atom from one m-nitrobenzoic acid molecule and and two oxygen atoms from two water molecules,forming a distorted coordination square-pyramid.The cyclic voltametric behavior of the complex was also studied.展开更多
One novel complex Zn(phen)(pimelic acid)2 with pimelic acid, 1,10-phenanthroline (phen) and zinc perch-lorate has been synthesized and characterized. The crystal of the complex belongs to monoclinic, space group C2/c....One novel complex Zn(phen)(pimelic acid)2 with pimelic acid, 1,10-phenanthroline (phen) and zinc perch-lorate has been synthesized and characterized. The crystal of the complex belongs to monoclinic, space group C2/c. The crystal structure shows that the zinc ion is coordinated with two nitrogen atoms of one 1,10-phenanthroline molecule and two oxygen atoms from two pimelic acid molecules, respectively, forming a distorted tetrahedron coordination geometry. The cyclic voltametric behavior of the complex was also investigated.展开更多
A copper(Ⅱ) complex Cu(3,5-DMBA)2(phen) has been synthesized by self-assembly of 3,5-dimethylbenzoic acid,1,10-phenanthroline and copper perchlorate. Crystal data for this complex: Monoclinic,space group C2/c with a=...A copper(Ⅱ) complex Cu(3,5-DMBA)2(phen) has been synthesized by self-assembly of 3,5-dimethylbenzoic acid,1,10-phenanthroline and copper perchlorate. Crystal data for this complex: Monoclinic,space group C2/c with a=2.348 3(5) nm,b=0.984 4(2) nm,c=1.138 4(2) nm,β=103.02(3)°,V=2.563 9(9) nm3,Dc=1.404 g·cm-3,Z=4,F(000)=1 124,final GooF=1.051,R1=0.035 0,wR2=0.099 8. The crystal structure shows that the copper atom is coordinated with two oxygen atoms from two 3,5-dimethylbenzoic acids and two nitrogen atoms from the 1,10-phenanthroline,forming a square-planar structure. The result of the cyclic voltametric behavior analysis shows that the electron transfer in electrode reaction is quasi-reversible.展开更多
A novel manganese coordination polymer [Mn(FA)2(4,4′-bipy)]n (HFA=2-furancarboxylic acid, 4,4′-bipy=4,4′-bipyridine) has been synthesized by hydrothermal methods. The crystal structure was determined by single-crys...A novel manganese coordination polymer [Mn(FA)2(4,4′-bipy)]n (HFA=2-furancarboxylic acid, 4,4′-bipy=4,4′-bipyridine) has been synthesized by hydrothermal methods. The crystal structure was determined by single-crystal X-ray diffraction. The crystal is of monoclinic, space group C2/c with a=1.698 4(3) nm, b=1.168 6(2) nm, c=1.009 5(17) nm, β=109.455(11)°, V=1.889 2(6) nm3, Z=4, Dc=1.523 g·cm-3, Mr=433.27, F(000)=884, μ=0.740 mm-1, R1=0.028 2 and wR2=0.071 0. In the crystal, the manganese atom is six-coordinated by two nitrogen atoms from 4,4′-bipyridine and four oxygen atoms from furancarboxylic acid molecules, completing an octahedral geometry. The 4,4′-bipyridine molecules are connected to the infinite chain [Mn(FA)2]n to form a two-dimensional layer. The quantum chemistry calculation on the title complex has been performed by means of G98W package and taking Lanl2dz basis set. CCDC: 296763.展开更多
The title complex has been synthesized with m-chlorobenzoic acid, 1,10-phenanthroline and cobalt perchlorate anhydrous in the solvent mixture of water and methanol. Crystal data for this complex: triclinic, space grou...The title complex has been synthesized with m-chlorobenzoic acid, 1,10-phenanthroline and cobalt perchlorate anhydrous in the solvent mixture of water and methanol. Crystal data for this complex: triclinic, space group P1, a=0.8707(3) nm, b=1.2844(4) nm, c=1.6929(5) nm; α=75.430(5)°, β=77.562(5)°, γ=86.346(5)°, V=1.7894(9) nm3, Dc=1.456 g·cm-3, Z=2, F(000)=806. Final GooF=1.065, R1=0.0684, wR2=0.1275. The crystal stru-cture shows that the Cobaly ion is coordinated with four nitrogen atoms from two 1,10-phenanthroline molecules and two oxygen atoms from one m-chlorobenzoic acid molecule and one water molecule respectively, forming a distorted octahedral coordination geometry. The cyclic voltametric behavior of the complex is also reported.展开更多
文摘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.
文摘The complex [Cu(m-NBA)(2,2'-bipy)(H2O)2]·m-NBA·H2O was obtained by self-assembly of m-nitroben-zoic acid,2,2'-bipyridine and copper(Ⅱ).The crystal structure of the complex has been determined by X-ray diffraction single crystal structure analysis.The crystal belongs to monoclinic system,space group P21/n.The cell parameters are:a=0.705 65(9) nm,b=2.901 2(4) nm,c=1.271 52(2) nm;β=92.895(2)°,and V=2.599 8(6) nm3,Dc= 1.551 g·cm-3,Z=4,μ(Mo Kα)=9.09 cm-1,F(000)=1 244,R1=0.040 7,wR2=0.085 5[I>2σ(I)].The crystal structure shows that the copper(Ⅱ) ion is coordinated with two nitrogen atoms from one 2,2'-bipyridine molecule,one oxygen atom from one m-nitrobenzoic acid molecule and and two oxygen atoms from two water molecules,forming a distorted coordination square-pyramid.The cyclic voltametric behavior of the complex was also studied.
文摘One novel complex Zn(phen)(pimelic acid)2 with pimelic acid, 1,10-phenanthroline (phen) and zinc perch-lorate has been synthesized and characterized. The crystal of the complex belongs to monoclinic, space group C2/c. The crystal structure shows that the zinc ion is coordinated with two nitrogen atoms of one 1,10-phenanthroline molecule and two oxygen atoms from two pimelic acid molecules, respectively, forming a distorted tetrahedron coordination geometry. The cyclic voltametric behavior of the complex was also investigated.
文摘A copper(Ⅱ) complex Cu(3,5-DMBA)2(phen) has been synthesized by self-assembly of 3,5-dimethylbenzoic acid,1,10-phenanthroline and copper perchlorate. Crystal data for this complex: Monoclinic,space group C2/c with a=2.348 3(5) nm,b=0.984 4(2) nm,c=1.138 4(2) nm,β=103.02(3)°,V=2.563 9(9) nm3,Dc=1.404 g·cm-3,Z=4,F(000)=1 124,final GooF=1.051,R1=0.035 0,wR2=0.099 8. The crystal structure shows that the copper atom is coordinated with two oxygen atoms from two 3,5-dimethylbenzoic acids and two nitrogen atoms from the 1,10-phenanthroline,forming a square-planar structure. The result of the cyclic voltametric behavior analysis shows that the electron transfer in electrode reaction is quasi-reversible.
文摘A novel manganese coordination polymer [Mn(FA)2(4,4′-bipy)]n (HFA=2-furancarboxylic acid, 4,4′-bipy=4,4′-bipyridine) has been synthesized by hydrothermal methods. The crystal structure was determined by single-crystal X-ray diffraction. The crystal is of monoclinic, space group C2/c with a=1.698 4(3) nm, b=1.168 6(2) nm, c=1.009 5(17) nm, β=109.455(11)°, V=1.889 2(6) nm3, Z=4, Dc=1.523 g·cm-3, Mr=433.27, F(000)=884, μ=0.740 mm-1, R1=0.028 2 and wR2=0.071 0. In the crystal, the manganese atom is six-coordinated by two nitrogen atoms from 4,4′-bipyridine and four oxygen atoms from furancarboxylic acid molecules, completing an octahedral geometry. The 4,4′-bipyridine molecules are connected to the infinite chain [Mn(FA)2]n to form a two-dimensional layer. The quantum chemistry calculation on the title complex has been performed by means of G98W package and taking Lanl2dz basis set. CCDC: 296763.
文摘The title complex has been synthesized with m-chlorobenzoic acid, 1,10-phenanthroline and cobalt perchlorate anhydrous in the solvent mixture of water and methanol. Crystal data for this complex: triclinic, space group P1, a=0.8707(3) nm, b=1.2844(4) nm, c=1.6929(5) nm; α=75.430(5)°, β=77.562(5)°, γ=86.346(5)°, V=1.7894(9) nm3, Dc=1.456 g·cm-3, Z=2, F(000)=806. Final GooF=1.065, R1=0.0684, wR2=0.1275. The crystal stru-cture shows that the Cobaly ion is coordinated with four nitrogen atoms from two 1,10-phenanthroline molecules and two oxygen atoms from one m-chlorobenzoic acid molecule and one water molecule respectively, forming a distorted octahedral coordination geometry. The cyclic voltametric behavior of the complex is also reported.
