Two new Gd Ⅲ complexes with nitrilotriacetic acid(nta) and trans-1,2-cyclohexanediaminetetraacetic acid(Cydta) ligands were synthesized. Their crystal structures were determined by single-crystal X-ray structure anal...Two new Gd Ⅲ complexes with nitrilotriacetic acid(nta) and trans-1,2-cyclohexanediaminetetraacetic acid(Cydta) ligands were synthesized. Their crystal structures were determined by single-crystal X-ray structure analyses. The crystal data are as follows: K 3[Gd Ⅲ(nta) 2·(H 2O)]·6H 2O, monoclinic system, C2/c space group, a=1.534 81(15) nm, b=1.292 05(12) nm, c=2.610 8(3) nm, β=96.244(2)°, V=5.146 7(9) nm 3, Z=8, M=776.87, D c=2.005 g/cm 3, μ= 3.149 mm -1 and \{F(000)=\}3 080, R=0.024 5, wR=0.064 3 for 4 455 unique reflections and R= 0.028 9, wR=0.067 2 for all 10 305 reflections. The Gd ⅢN 2O 7 part in the [Gd Ⅲ(nta) 2(H 2O)] 3- anion is a pseudo-monocapped square antiprismatic nine-coordination structure.(NH 4)[Gd Ⅲ(Cydta)(H 2O) 2]·5H 2O, triclinic system, P1 space group, a=0.866 2(3) nm, b=1.006 7(3) nm, c= 1.444 8(5) nm, α= 88.282(5)°, β=75\^190(5)°, γ=88.317(4)°, V=1.217 2(7) nm 3, Z=2, M=643.69, D c=1.756 g/cm 3, μ=2.798 mm -1 and F(000)=650, R=0.030 3, wR=0.080 9 for 4 273 unique reflections and R=0.033 2, wR=0.082 5 for all 5 062 reflections. The Gd ⅢN 2O 6 part in the [Gd Ⅲ(Cydta)(H 2O) 2] - anion has a pseudo-square antiprismatic eight-coordination structure.展开更多
A new inorganic coordination compound Mn2Hg4(SCN)12 was synthesized. T he grown crystals were characterized by elemental analysis, infrared spectroscop ic analysis and powder crystal X-ray diffraction in detail. The c...A new inorganic coordination compound Mn2Hg4(SCN)12 was synthesized. T he grown crystals were characterized by elemental analysis, infrared spectroscop ic analysis and powder crystal X-ray diffraction in detail. The crystal structur e of Mn2Hg4(SCN)12 was determined by single-crystal X-ray diffraction. It belong s to monoclinic system, P21/c space group. The cell dimensions are: a=1.171 6 nm , b=1.431 05 nm, c=2.105 1 nm, In the structure of it, ha lf of Mn2+ cations have five-coordinate number, and other half of Mn2+ cations h ave six-coordinate number; 3/4 of Hg2+ cations are coordinated by four SCN-, 1/4 of Hg2+ cations are coordinated by three SCN-and one NCS-, all the coordinatio n geometry of Hg2+ show slightly distorted tetrahedrons. CCDC: 244939.展开更多
The title compound, Pd4Cl2, has been synthesized and structurally characterized. It crystallizes in orthorhombic, Pna2(1) space group , with Mr=481.79(C4H16Cl2N8PdS4), a=12.943(3), b=8.283(2), c=15.148(3)? , V=1623.9(...The title compound, Pd4Cl2, has been synthesized and structurally characterized. It crystallizes in orthorhombic, Pna2(1) space group , with Mr=481.79(C4H16Cl2N8PdS4), a=12.943(3), b=8.283(2), c=15.148(3)? , V=1623.9(6)? 3, Z=4. The Pd? ion has an square planar geometry, and is coordinated by four S atom donors from four thiourea molecules. The two Cl- anions found in the apical position balance the charge. In the solid state, the title compound forms three dimensional network structures through hydrogen bonds. The intermolecular hydrogen bonds connect the {Pd4}2+ and chloride ion to contribute to the stability of the structure. CCDC: 193379.展开更多
The reaction of N-n-Bu4MnO4 with Mn(Oac) 2 · 4H2O and butenoic acid in nonaqueous solvents leads to the formation of the complex [Mn3O(O2CCH = CHCH3) 6(py) 3] ClO4 · py (1). The crystal structure was determi...The reaction of N-n-Bu4MnO4 with Mn(Oac) 2 · 4H2O and butenoic acid in nonaqueous solvents leads to the formation of the complex [Mn3O(O2CCH = CHCH3) 6(py) 3] ClO4 · py (1). The crystal structure was determined.The complex crystallizes in hexagonal, space group P63/m, unit cell parameters, a = 1. 2456(1)nm, b = 1. 2456(1) nm, c = 1. 8741(1) nm, V=2. 5181(3) nm3, Z =2, and final R1 =0. 0565, wR2 =0. 1465. Variable tem-perature solid tate magnetic susceptibility study shows that the complex [Mn3O(O2CCH = CHCH3)6(py)3] ClO4 (2) has an antiferromagnetic exchange interaction.展开更多
GThe title compound was synthesized by reaction of Cu(ClO4)2, picolinic acid and carbamide in C2H5OH/CH3CN solution, and characterized by single crystal X ray diffraction. It crystallizes in the orthorhombic system, s...GThe title compound was synthesized by reaction of Cu(ClO4)2, picolinic acid and carbamide in C2H5OH/CH3CN solution, and characterized by single crystal X ray diffraction. It crystallizes in the orthorhombic system, space group Pbcawith a=14.0481(8), b=9.0130(5), c=18.626(1)?, V=2358.3(2)?3, Z=4, Dx=1.771g·cm-3, μ=1.235mm-1 and F(000)=1276. The final R factor is 0.0440 for 1434 observed reflections. The X ray analysis revealed that the copper?atom iscoordinated by two picolinic ligands in the equatorial plane, while the two oxygen atoms of perchlorate occupy the axial positions of octahedron with lengthened Cu O distances, resulting in a 4+2 elongated octahedral environment. In the compound, there also exist two protonated carbamide cations for charge balance. CCDC: 195354.展开更多
文摘Two new Gd Ⅲ complexes with nitrilotriacetic acid(nta) and trans-1,2-cyclohexanediaminetetraacetic acid(Cydta) ligands were synthesized. Their crystal structures were determined by single-crystal X-ray structure analyses. The crystal data are as follows: K 3[Gd Ⅲ(nta) 2·(H 2O)]·6H 2O, monoclinic system, C2/c space group, a=1.534 81(15) nm, b=1.292 05(12) nm, c=2.610 8(3) nm, β=96.244(2)°, V=5.146 7(9) nm 3, Z=8, M=776.87, D c=2.005 g/cm 3, μ= 3.149 mm -1 and \{F(000)=\}3 080, R=0.024 5, wR=0.064 3 for 4 455 unique reflections and R= 0.028 9, wR=0.067 2 for all 10 305 reflections. The Gd ⅢN 2O 7 part in the [Gd Ⅲ(nta) 2(H 2O)] 3- anion is a pseudo-monocapped square antiprismatic nine-coordination structure.(NH 4)[Gd Ⅲ(Cydta)(H 2O) 2]·5H 2O, triclinic system, P1 space group, a=0.866 2(3) nm, b=1.006 7(3) nm, c= 1.444 8(5) nm, α= 88.282(5)°, β=75\^190(5)°, γ=88.317(4)°, V=1.217 2(7) nm 3, Z=2, M=643.69, D c=1.756 g/cm 3, μ=2.798 mm -1 and F(000)=650, R=0.030 3, wR=0.080 9 for 4 273 unique reflections and R=0.033 2, wR=0.082 5 for all 5 062 reflections. The Gd ⅢN 2O 6 part in the [Gd Ⅲ(Cydta)(H 2O) 2] - anion has a pseudo-square antiprismatic eight-coordination structure.
文摘A new inorganic coordination compound Mn2Hg4(SCN)12 was synthesized. T he grown crystals were characterized by elemental analysis, infrared spectroscop ic analysis and powder crystal X-ray diffraction in detail. The crystal structur e of Mn2Hg4(SCN)12 was determined by single-crystal X-ray diffraction. It belong s to monoclinic system, P21/c space group. The cell dimensions are: a=1.171 6 nm , b=1.431 05 nm, c=2.105 1 nm, In the structure of it, ha lf of Mn2+ cations have five-coordinate number, and other half of Mn2+ cations h ave six-coordinate number; 3/4 of Hg2+ cations are coordinated by four SCN-, 1/4 of Hg2+ cations are coordinated by three SCN-and one NCS-, all the coordinatio n geometry of Hg2+ show slightly distorted tetrahedrons. CCDC: 244939.
文摘The title compound, Pd4Cl2, has been synthesized and structurally characterized. It crystallizes in orthorhombic, Pna2(1) space group , with Mr=481.79(C4H16Cl2N8PdS4), a=12.943(3), b=8.283(2), c=15.148(3)? , V=1623.9(6)? 3, Z=4. The Pd? ion has an square planar geometry, and is coordinated by four S atom donors from four thiourea molecules. The two Cl- anions found in the apical position balance the charge. In the solid state, the title compound forms three dimensional network structures through hydrogen bonds. The intermolecular hydrogen bonds connect the {Pd4}2+ and chloride ion to contribute to the stability of the structure. CCDC: 193379.
文摘The reaction of N-n-Bu4MnO4 with Mn(Oac) 2 · 4H2O and butenoic acid in nonaqueous solvents leads to the formation of the complex [Mn3O(O2CCH = CHCH3) 6(py) 3] ClO4 · py (1). The crystal structure was determined.The complex crystallizes in hexagonal, space group P63/m, unit cell parameters, a = 1. 2456(1)nm, b = 1. 2456(1) nm, c = 1. 8741(1) nm, V=2. 5181(3) nm3, Z =2, and final R1 =0. 0565, wR2 =0. 1465. Variable tem-perature solid tate magnetic susceptibility study shows that the complex [Mn3O(O2CCH = CHCH3)6(py)3] ClO4 (2) has an antiferromagnetic exchange interaction.
文摘GThe title compound was synthesized by reaction of Cu(ClO4)2, picolinic acid and carbamide in C2H5OH/CH3CN solution, and characterized by single crystal X ray diffraction. It crystallizes in the orthorhombic system, space group Pbcawith a=14.0481(8), b=9.0130(5), c=18.626(1)?, V=2358.3(2)?3, Z=4, Dx=1.771g·cm-3, μ=1.235mm-1 and F(000)=1276. The final R factor is 0.0440 for 1434 observed reflections. The X ray analysis revealed that the copper?atom iscoordinated by two picolinic ligands in the equatorial plane, while the two oxygen atoms of perchlorate occupy the axial positions of octahedron with lengthened Cu O distances, resulting in a 4+2 elongated octahedral environment. In the compound, there also exist two protonated carbamide cations for charge balance. CCDC: 195354.
