A novel coordination polymer of [Co( p-CPOA)(2,2′-bipy)(H2O)]n ( p-CPOA2-=4-carboxylphenoxyacetate dianion, 2,2′-bipy=2,2′-bipyridine) was synthesized and characterized by elemental analysis, IR and X-ray single cr...A novel coordination polymer of [Co( p-CPOA)(2,2′-bipy)(H2O)]n ( p-CPOA2-=4-carboxylphenoxyacetate dianion, 2,2′-bipy=2,2′-bipyridine) was synthesized and characterized by elemental analysis, IR and X-ray single crystal diffraction. The title complex crystallizes in monoclinic space group C2/c, with a=1.424 4(3) nm, b=1.316 6(3) nm, c=1.947 7(4) nm, β=104.56(3)°. V=3.535 3(14) nm3, Z=8, R=0.028 5, wR=0.089 1. The cobalt(Ⅱ) ion displays a distorted octahedral coordination geometry, defined by three carboxyl oxygen atoms from different p-CPOA2- groups, two nitrogen atoms from 2,2′-bipyridine ligand and one water molecule. The cobalt atoms are bridged by p-CPOA2- groups, forming a one-dimensional chain structure along a axis. The adjacent Co...Co atoms distance is 0.996 8 nm. A layer supramolecular network is contrsucted by the hydrogen bonds and π-π stacking interactions. CCDC: 220039.展开更多
A novel coordination polymer of [Ca(2-OPA)2(H2O)2]n (2-OPA-=2-oxo-1(4H)-pyridineacetate anion) was synthesized and characterized by elemental analysis, IR, TG and single crystal X-ray diffraction. The title complex cr...A novel coordination polymer of [Ca(2-OPA)2(H2O)2]n (2-OPA-=2-oxo-1(4H)-pyridineacetate anion) was synthesized and characterized by elemental analysis, IR, TG and single crystal X-ray diffraction. The title complex crystallizes in orthorhombic with space group Pna21, a=0.799 96(16) nm, b=0.823 77(16) nm, c=2.415 3(5) nm, V=1.591 6(6) nm3, Z=4, R=0.030 3, wR=0.070 0. The Ca atom is eight-coordinated by six O atoms of four 2-OPA- ligands and two water molecules, and displays a dodecahedron coordination geometry. Each 2-OPA- ligand bridges two adjacent Ca atoms, forming a infinite chain along the a direction. The Ca...Ca distance is 0.4102 2(8)nm. A two-dimensional supramolecular framework is further constructed by the hydrogen bonds and the weak π-π interactions. The results of TG analysis show the chain structure of the title complex was stable under 297.5 ℃. CCDC: 251669.展开更多
Using a new ligand 1,6-bis(1,2,4-triazole-1-yl)hexane (L), one-dimensional coordination polymer Cu2(L)(CH3CO2)4n has been synthesized and characterized by elemental analysis, FTIR spectra and X-ray single crystal stru...Using a new ligand 1,6-bis(1,2,4-triazole-1-yl)hexane (L), one-dimensional coordination polymer Cu2(L)(CH3CO2)4n has been synthesized and characterized by elemental analysis, FTIR spectra and X-ray single crystal structural analysis. The title complex crystallizes in triclinic system with space group P1, a=0.722 5(7) nm, b=0.808 0(8) nm, c=1.173 1(11) nm, α=72.294(11)°, β=88.049(11)°, γ=66.294(11)°, V=0.594 2(10) nm3, Z=1, R1=0.037 0, wR2=0.098 3. The fundamental unit comprises two copper atoms (Cu(1), Cu(1A)), four μ2-bridged CH3CO2- and one ligand molecule. Cu(1) and Cu(1A) are both five-coordinated by four oxygen atoms from four μ2-CH3CO2- and one nitrogen atom from bridging ligand, forming a distorted square-pyramidal coordination configuration. Cu(1) and Cu(1A) are linked via four μ2-bridged CH3CO2- anions to form a paddle-wheel structural unit, which furthermore self-assemble into 1D chain via bridging ligands. CCDC: 603429.展开更多
The synthesis, structural characterization and theoretical investigation of a novel alkoxo-bridged dinuclear copper(II) compound has been described. The title compound has the formula C22H28Cl2Cu2N8O11. It consists of...The synthesis, structural characterization and theoretical investigation of a novel alkoxo-bridged dinuclear copper(II) compound has been described. The title compound has the formula C22H28Cl2Cu2N8O11. It consists of dinuclear units with bridging methoxo groups. The ligands 2-amino-pyridine and 2-amino-6-hydroxyl-pyridine are linked to each copper via the pyridine N atoms respectively, providing a square planar CuN2O2 unit. The ClO4- anions in the title compound are semi-coordinated to copper ion at the distance of 0.265 83(4) nm (Cu-O(ClO4-). The Cu-Cu distances within the dinuclear units are 0.299 79(9) nm with Cu-O-Cu angles of 102.27(9)°. The structures are stabilized by intramolecular H-bonds between the amino hydrogen atoms and oxygen atoms. Based on crystal data, quantum chemistry calculation on DFT/B3LPY level was used to reveal the electronic structure of the title compound. CCDC: 270807.展开更多
The coordination polymer of [Mn(p-CPOA)(H2O)3]n (p-CPOA=4-carboxylphenoxyacetate) was synthesized and characterized by elemental analysis, IR, X-ray single crystal diffraction. The title complex crystallizes in mono-c...The coordination polymer of [Mn(p-CPOA)(H2O)3]n (p-CPOA=4-carboxylphenoxyacetate) was synthesized and characterized by elemental analysis, IR, X-ray single crystal diffraction. The title complex crystallizes in mono-clinic with space group P21/c, a=0.699 8(1) nm, b=1.623 5(3) nm, c=1.014 3(2) nm, β=99.55(3)°. V=1.136 5(4) nm3, Z=4, Dc=1.772 g·cm-3, μ=1.193 mm-1, F(000)=620, R=0.026 8, wR=0.074 5. The manganese atom is seven-coordinate involving four oxygen atoms of different p-CPOA2- ligands and three coordinated water, forming a distorted pentagonal bipyramindal environment. Two manganese atoms are bridged by p-CPOA2- ligand, forming a one-dimensional zigzag chain structure along b axis. The adjacent distance of Mn...Mn atoms is 1.021 0 nm. The three-dimensional hydrogen bonding network was formed by the intermolecular hydrogen bonds. CCDC: 219358.展开更多
文摘A novel coordination polymer of [Co( p-CPOA)(2,2′-bipy)(H2O)]n ( p-CPOA2-=4-carboxylphenoxyacetate dianion, 2,2′-bipy=2,2′-bipyridine) was synthesized and characterized by elemental analysis, IR and X-ray single crystal diffraction. The title complex crystallizes in monoclinic space group C2/c, with a=1.424 4(3) nm, b=1.316 6(3) nm, c=1.947 7(4) nm, β=104.56(3)°. V=3.535 3(14) nm3, Z=8, R=0.028 5, wR=0.089 1. The cobalt(Ⅱ) ion displays a distorted octahedral coordination geometry, defined by three carboxyl oxygen atoms from different p-CPOA2- groups, two nitrogen atoms from 2,2′-bipyridine ligand and one water molecule. The cobalt atoms are bridged by p-CPOA2- groups, forming a one-dimensional chain structure along a axis. The adjacent Co...Co atoms distance is 0.996 8 nm. A layer supramolecular network is contrsucted by the hydrogen bonds and π-π stacking interactions. CCDC: 220039.
文摘A novel coordination polymer of [Ca(2-OPA)2(H2O)2]n (2-OPA-=2-oxo-1(4H)-pyridineacetate anion) was synthesized and characterized by elemental analysis, IR, TG and single crystal X-ray diffraction. The title complex crystallizes in orthorhombic with space group Pna21, a=0.799 96(16) nm, b=0.823 77(16) nm, c=2.415 3(5) nm, V=1.591 6(6) nm3, Z=4, R=0.030 3, wR=0.070 0. The Ca atom is eight-coordinated by six O atoms of four 2-OPA- ligands and two water molecules, and displays a dodecahedron coordination geometry. Each 2-OPA- ligand bridges two adjacent Ca atoms, forming a infinite chain along the a direction. The Ca...Ca distance is 0.4102 2(8)nm. A two-dimensional supramolecular framework is further constructed by the hydrogen bonds and the weak π-π interactions. The results of TG analysis show the chain structure of the title complex was stable under 297.5 ℃. CCDC: 251669.
文摘Using a new ligand 1,6-bis(1,2,4-triazole-1-yl)hexane (L), one-dimensional coordination polymer Cu2(L)(CH3CO2)4n has been synthesized and characterized by elemental analysis, FTIR spectra and X-ray single crystal structural analysis. The title complex crystallizes in triclinic system with space group P1, a=0.722 5(7) nm, b=0.808 0(8) nm, c=1.173 1(11) nm, α=72.294(11)°, β=88.049(11)°, γ=66.294(11)°, V=0.594 2(10) nm3, Z=1, R1=0.037 0, wR2=0.098 3. The fundamental unit comprises two copper atoms (Cu(1), Cu(1A)), four μ2-bridged CH3CO2- and one ligand molecule. Cu(1) and Cu(1A) are both five-coordinated by four oxygen atoms from four μ2-CH3CO2- and one nitrogen atom from bridging ligand, forming a distorted square-pyramidal coordination configuration. Cu(1) and Cu(1A) are linked via four μ2-bridged CH3CO2- anions to form a paddle-wheel structural unit, which furthermore self-assemble into 1D chain via bridging ligands. CCDC: 603429.
文摘The synthesis, structural characterization and theoretical investigation of a novel alkoxo-bridged dinuclear copper(II) compound has been described. The title compound has the formula C22H28Cl2Cu2N8O11. It consists of dinuclear units with bridging methoxo groups. The ligands 2-amino-pyridine and 2-amino-6-hydroxyl-pyridine are linked to each copper via the pyridine N atoms respectively, providing a square planar CuN2O2 unit. The ClO4- anions in the title compound are semi-coordinated to copper ion at the distance of 0.265 83(4) nm (Cu-O(ClO4-). The Cu-Cu distances within the dinuclear units are 0.299 79(9) nm with Cu-O-Cu angles of 102.27(9)°. The structures are stabilized by intramolecular H-bonds between the amino hydrogen atoms and oxygen atoms. Based on crystal data, quantum chemistry calculation on DFT/B3LPY level was used to reveal the electronic structure of the title compound. CCDC: 270807.
文摘The coordination polymer of [Mn(p-CPOA)(H2O)3]n (p-CPOA=4-carboxylphenoxyacetate) was synthesized and characterized by elemental analysis, IR, X-ray single crystal diffraction. The title complex crystallizes in mono-clinic with space group P21/c, a=0.699 8(1) nm, b=1.623 5(3) nm, c=1.014 3(2) nm, β=99.55(3)°. V=1.136 5(4) nm3, Z=4, Dc=1.772 g·cm-3, μ=1.193 mm-1, F(000)=620, R=0.026 8, wR=0.074 5. The manganese atom is seven-coordinate involving four oxygen atoms of different p-CPOA2- ligands and three coordinated water, forming a distorted pentagonal bipyramindal environment. Two manganese atoms are bridged by p-CPOA2- ligand, forming a one-dimensional zigzag chain structure along b axis. The adjacent distance of Mn...Mn atoms is 1.021 0 nm. The three-dimensional hydrogen bonding network was formed by the intermolecular hydrogen bonds. CCDC: 219358.
