A one-dimensional double-chain coordination polymer [Mn(phen)(tsgluo)] was synthesized in a mixed solution and its crystal structure was determined by X-ray diffraction method. It crystallizes in orthorhombic system w...A one-dimensional double-chain coordination polymer [Mn(phen)(tsgluo)] was synthesized in a mixed solution and its crystal structure was determined by X-ray diffraction method. It crystallizes in orthorhombic system with space group P212121. The crystal data are: a=0.530 78(17) nm, b=1.723 9(5) nm, c=2.456 9(8) nm, Z=4, μ=0.729 mm-1, Dc=1.579 g·cm-3, V=2.248 1(12) nm3, R1=0.033 1, ωR2=0.078 9. In the title complex, each Mn(Ⅱ) ion presents a octahedral geometry with the coordination of two nitrogen atoms from 1,10-phenanthroline and four oxygen atoms from three different tsgluo2- ligands. The γ-carboxyl coordinates to Mn(Ⅱ) in the mode of bidentate chelate, while the α-carboxyl coordinates in a bidentate bridging mode. CCDC: 253910.展开更多
The title compound, [Mn(2,4,6-TMBA)2(H2O)3]n·2nH2O (1), where 2,4,6-TMBA=2,4,6-trimethylbenzoic acid, was synthesized and its crystal structure was determined by X-ray diffraction analysis. The crystal is of mono...The title compound, [Mn(2,4,6-TMBA)2(H2O)3]n·2nH2O (1), where 2,4,6-TMBA=2,4,6-trimethylbenzoic acid, was synthesized and its crystal structure was determined by X-ray diffraction analysis. The crystal is of monoclinic, space group C2/c with a=2.929 9(6) nm, b=1.036 4(2) nm, c=8.222 04(17) nm, V=2.494 7(9) nm3, Z=4, M=471.40, Dc=1.255 g·cm-3, μ=0.571 mm-1, F(000)=996, Rint=0.029 4, R=0.037 6 and wR=0.094 9. The Mn atoms are octahedrally coordinated by two O atoms of two ligands and four O atoms of water. The carboxyl group coordinates to Mn(Ⅱ)in the mode of monodentate, while the O atoms of water molecules coordinates in bridging mode. The complex shows a one-dimensional chain structure bridged by water molecules. CCDC: 297750.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 {[nBu2Sn(2-OHC6H4CH=NC6H4COO)]2O}2·2H2O was synthesized by the reaction of N-(4-carboxyphenyl)-salicylideneimine with dibutyltin(Ⅳ) oxide in 1∶1 molar ratio. The compound has been characterize...The title complex {[nBu2Sn(2-OHC6H4CH=NC6H4COO)]2O}2·2H2O was synthesized by the reaction of N-(4-carboxyphenyl)-salicylideneimine with dibutyltin(Ⅳ) oxide in 1∶1 molar ratio. The compound has been characterized by elemental analysis, IR, 1H NMR spectra and X-ray single crystal diffraction. It crystallizes in triclinic system with space group P1. The crystal data are: a=1.242 9(2) nm, b=1.261 3(2) nm, c=1.594 9(3) nm, α=102.06(2)°, β=92.884(3)°, γ=95.939(3)°, Z=2, Dc=1.342 g·cm-3, F(000)=1 000, V=2.425 2(7) nm3, R1=0.041 5, wR2=0.104 4. The compound is in centro-symmetric dimer structure mode with a four-member central endo-cyclic Sn2O2 unit in which the bridging oxygen atoms are tri-coordinated. All the tin atoms are five-coordinated with geometry of distorted trigonal bipyramid. CCDC:286105.展开更多
The title compound,[Ag4(L)4](PMBS)4·2H2O (1),where L=2,5-bis(4-pyridyl)-3,4-diaza-2,4-hexadiene,PMBS =p-methylbenzenesulfonate was synthesized and its crystal structure was determined by X-ray diffraction structu...The title compound,[Ag4(L)4](PMBS)4·2H2O (1),where L=2,5-bis(4-pyridyl)-3,4-diaza-2,4-hexadiene,PMBS =p-methylbenzenesulfonate was synthesized and its crystal structure was determined by X-ray diffraction structure analysis. The crystal is of triclinic,space group P1 with a=0.820 3(2) nm,b=1.322 7(3) nm,c=2.061 0(3) nm,α=76.155(2)°,β=78.651(4)°,γ=89.993(3)°,V=2.126 2(8) nm3,Z=2,Dc=1.644 g·cm-3,F(000)=1 068,R=0.052 4,wR=0.113 6. The Ag atoms are linear coordinated by two N atoms of two L ligands,while the p-methylben-zenesulfonate molecules are included in the lattice and connected to [Ag(L)]n by hydrogen bonding interactions to form a three-dimensional supramolecular structure.展开更多
The title compound, [Mn4(O2CH)4(phen)8](ClO4)4·6H2O (1), where phen=1,10-phenanthroline, was synthes-ized and its crystal structure was determined by X-ray diffraction structure analysis. The crystal is of monocl...The title compound, [Mn4(O2CH)4(phen)8](ClO4)4·6H2O (1), where phen=1,10-phenanthroline, was synthes-ized and its crystal structure was determined by X-ray diffraction structure analysis. The crystal is of monoclinic, space group P2/c with a=1.928 0(16) nm, b=1.297 0(11) nm, c=2.126 4(18) nm, V=5.242 2(8) nm3, Z=2, Mr=2 347.36, Dc=1.487 g·cm^-3, μ=0.659 mm^-1, F(000)=2 400, Rint=0.043 7, R=0.052 3, wR=0.118 6. The Mn atoms are octahed-rally coordinated by two O atoms of two ligands and four N atoms of two 1,10-phenanthroline molecules. The carboxyl group coordinates to Mn(Ⅲ) in the bridging bidentate mode. CCDC: 675520.展开更多
文摘A one-dimensional double-chain coordination polymer [Mn(phen)(tsgluo)] was synthesized in a mixed solution and its crystal structure was determined by X-ray diffraction method. It crystallizes in orthorhombic system with space group P212121. The crystal data are: a=0.530 78(17) nm, b=1.723 9(5) nm, c=2.456 9(8) nm, Z=4, μ=0.729 mm-1, Dc=1.579 g·cm-3, V=2.248 1(12) nm3, R1=0.033 1, ωR2=0.078 9. In the title complex, each Mn(Ⅱ) ion presents a octahedral geometry with the coordination of two nitrogen atoms from 1,10-phenanthroline and four oxygen atoms from three different tsgluo2- ligands. The γ-carboxyl coordinates to Mn(Ⅱ) in the mode of bidentate chelate, while the α-carboxyl coordinates in a bidentate bridging mode. CCDC: 253910.
文摘The title compound, [Mn(2,4,6-TMBA)2(H2O)3]n·2nH2O (1), where 2,4,6-TMBA=2,4,6-trimethylbenzoic acid, was synthesized and its crystal structure was determined by X-ray diffraction analysis. The crystal is of monoclinic, space group C2/c with a=2.929 9(6) nm, b=1.036 4(2) nm, c=8.222 04(17) nm, V=2.494 7(9) nm3, Z=4, M=471.40, Dc=1.255 g·cm-3, μ=0.571 mm-1, F(000)=996, Rint=0.029 4, R=0.037 6 and wR=0.094 9. The Mn atoms are octahedrally coordinated by two O atoms of two ligands and four O atoms of water. The carboxyl group coordinates to Mn(Ⅱ)in the mode of monodentate, while the O atoms of water molecules coordinates in bridging mode. The complex shows a one-dimensional chain structure bridged by water molecules. CCDC: 297750.
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 {[nBu2Sn(2-OHC6H4CH=NC6H4COO)]2O}2·2H2O was synthesized by the reaction of N-(4-carboxyphenyl)-salicylideneimine with dibutyltin(Ⅳ) oxide in 1∶1 molar ratio. The compound has been characterized by elemental analysis, IR, 1H NMR spectra and X-ray single crystal diffraction. It crystallizes in triclinic system with space group P1. The crystal data are: a=1.242 9(2) nm, b=1.261 3(2) nm, c=1.594 9(3) nm, α=102.06(2)°, β=92.884(3)°, γ=95.939(3)°, Z=2, Dc=1.342 g·cm-3, F(000)=1 000, V=2.425 2(7) nm3, R1=0.041 5, wR2=0.104 4. The compound is in centro-symmetric dimer structure mode with a four-member central endo-cyclic Sn2O2 unit in which the bridging oxygen atoms are tri-coordinated. All the tin atoms are five-coordinated with geometry of distorted trigonal bipyramid. CCDC:286105.
文摘The title compound,[Ag4(L)4](PMBS)4·2H2O (1),where L=2,5-bis(4-pyridyl)-3,4-diaza-2,4-hexadiene,PMBS =p-methylbenzenesulfonate was synthesized and its crystal structure was determined by X-ray diffraction structure analysis. The crystal is of triclinic,space group P1 with a=0.820 3(2) nm,b=1.322 7(3) nm,c=2.061 0(3) nm,α=76.155(2)°,β=78.651(4)°,γ=89.993(3)°,V=2.126 2(8) nm3,Z=2,Dc=1.644 g·cm-3,F(000)=1 068,R=0.052 4,wR=0.113 6. The Ag atoms are linear coordinated by two N atoms of two L ligands,while the p-methylben-zenesulfonate molecules are included in the lattice and connected to [Ag(L)]n by hydrogen bonding interactions to form a three-dimensional supramolecular structure.
文摘The title compound, [Mn4(O2CH)4(phen)8](ClO4)4·6H2O (1), where phen=1,10-phenanthroline, was synthes-ized and its crystal structure was determined by X-ray diffraction structure analysis. The crystal is of monoclinic, space group P2/c with a=1.928 0(16) nm, b=1.297 0(11) nm, c=2.126 4(18) nm, V=5.242 2(8) nm3, Z=2, Mr=2 347.36, Dc=1.487 g·cm^-3, μ=0.659 mm^-1, F(000)=2 400, Rint=0.043 7, R=0.052 3, wR=0.118 6. The Mn atoms are octahed-rally coordinated by two O atoms of two ligands and four N atoms of two 1,10-phenanthroline molecules. The carboxyl group coordinates to Mn(Ⅲ) in the bridging bidentate mode. CCDC: 675520.
