The crystal structure of quasi-one-dimensional compound Ni2 (Pyrd=pyrrolidine) has been determined by X-ray diffraction technique. It crystallizes in the monoclinic system, space group P21/c, with lattice parameters a...The crystal structure of quasi-one-dimensional compound Ni2 (Pyrd=pyrrolidine) has been determined by X-ray diffraction technique. It crystallizes in the monoclinic system, space group P21/c, with lattice parameters a=0.631 6(1) nm, b=0.746 5(2) nm, c=1.576 5(4) nm, β=106.08(3)°, and Z=2. The nickel atom had a square-planar geometry. The most prominent feature in the crystal structure is that the bis(pyrrolidinedithiocarbamato) nickel(Ⅱ) forms a well-separated stacking column along the a-axis through supramolecular interaction, and they are uniformly spaced to give a helical one-dimensional chain structure. CCDC: 220648.展开更多
Crystal structure of the title compound, Cu(phen)(H2O)2· ClO4(phen=1,10 phenanthroline), was determined by X ray crystallography. It crystallizes in the monoclinic system, space group C2/c with lattice parameters...Crystal structure of the title compound, Cu(phen)(H2O)2· ClO4(phen=1,10 phenanthroline), was determined by X ray crystallography. It crystallizes in the monoclinic system, space group C2/c with lattice parameters a=1.49071(4)nm, b=1.38594(4)nm, c=0.70292(1)nm, β =108.509(1)° and Z=4; The Cu? ion is chelated by a phen ligand and two aqua ligands in cis arrangement and assumes a C2 symmetric square planar geometry with the CuN2O2 core. Eight Cu(phen)(H2O)2· ClO4 molecules are interconnected by strong hydrogen bonds between coordinated water molecules and uncoordinated perchlorate anions to form a molecular scale cavities along c axis. The bond distances of Cu N and Cu O are 0.2003(4)nm and 0.1973(3)nm, respectively. CCDC: 197600.展开更多
The structure of [Cu2(Hdmg)4] (Hdmg=dimethylglyoxime anion) has been determined by X ray crystallography. It is monoclinic, space group P21/n, with Z=2. The lattice parameters: a=0.71601(14)nm; b=1.7044(3)nm; c=1.0126...The structure of [Cu2(Hdmg)4] (Hdmg=dimethylglyoxime anion) has been determined by X ray crystallography. It is monoclinic, space group P21/n, with Z=2. The lattice parameters: a=0.71601(14)nm; b=1.7044(3)nm; c=1.0126(4)nm; β =113.89(2)° ; Mr=587.52 (C16H28Cu2N8O8); V=1.1299(5)nm3. The copper atom lies in a distorted square pyramidal environment. The four equatorial donors are four nitrogen atoms from bidentate chelate dimethylglyoxime anion ligands. The oxygen atom from the dimethylglyoxime ligand acts as a bridging atom occupying the apical position of the symmetry related copper atom in the dimer structure. The two dimethylglyoximes bridge two copper atoms to form a six member Cu2O2N2 ring, respectively. The thermal gravity (TG) data indicate that the compound [Cu2(Hdmg)4] undergoes two exothermic reactions with loss of the organic ligand to give residue CuO. CCDC: 208729.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 crystal structures of the complexes of [Au(Et XA)(PPh3)2] (1), and [Cu(Et XA)(PPh3)2] (2), have been determined by X ray crystallography. They are isomorphous. The crystal structures are very similar and consist o...The crystal structures of the complexes of [Au(Et XA)(PPh3)2] (1), and [Cu(Et XA)(PPh3)2] (2), have been determined by X ray crystallography. They are isomorphous. The crystal structures are very similar and consist of discrete molecules of [Au(Et XA)(PPh3)2] and [Cu(Et XA)(PPh3)2], respectively. They all display distorted tetrahedral geometry around the central metal atom. In the complexes, the ethylxanthate ions act as bidentate ligands with their S atoms coordinated to metal. Each forms a four member chelate ring. The P atoms from two triphenylphosphine ligands are coordinated to the metal atom. The Au P bond lengths are 0.2295(2)nm and 0.2329(2)nm, and the Au S bond lengths are 0.2620(3)nm and 0.2846(3)nm, respectively. The Cu P and Cu S bond lengths are 0.2254(1)nm, 0.2273(2)nm, and 0.2375(1)nm, 0.2495(2)nm, respectively. Elemental analysis, electronic and IR spectra are in agreement with the structural data. CCDC: 1, 208728; 2, 208903.展开更多
The structure of the title compound has been determined by X-ray crystallography. Each copper atom is chelated by two N-salicylidene-aniline anion ligands with Cu-O and Cu-N distances of 0.187 6(3) and 0.200 1(4) nm, ...The structure of the title compound has been determined by X-ray crystallography. Each copper atom is chelated by two N-salicylidene-aniline anion ligands with Cu-O and Cu-N distances of 0.187 6(3) and 0.200 1(4) nm, respectively. The central copper(Ⅱ) is four-coordinated and in distorted square-planar environment. The phenyl rings with salicylidene moieties form a dihedral angle of 65.40°. There are C-H...e supramolecular interactions in the crystal structure. The title compound is also examined by elemental analysis, FT-IR, UV spectra and TG-DSC analysis. CCDC: 222315.展开更多
The title compound, [CoCl2(C7H5N2CH2Ph)2], has been synthesized and structurally characterized by elemental analysis, IR, UV-Vis spectra, TG-DSC and X-ray crystallography. The coordination geometry of each Co atom is ...The title compound, [CoCl2(C7H5N2CH2Ph)2], has been synthesized and structurally characterized by elemental analysis, IR, UV-Vis spectra, TG-DSC and X-ray crystallography. The coordination geometry of each Co atom is formed, by two N atoms from two benzyl-benzimidazole ligands and by two Cl anions, is of a tetrahedron. The data of EA, IR and UV-vis spectra are in good agreement with the result of crystal structure determination. The thermal gravimetry (TG) data indicate that there are four decomposition steps with five endothermic peaks. The final product of the thermal decomposition is Co. The electrochemical properties of the complex was also studied in H2O/DMF solvent by cyclic voltammetry(CV). CCDC:211442.展开更多
The crystal and molecular structure of [(PPh3)2Cu(O2CPhOH)]·CH3CH2OH has been determined by X ray crystallography. It crystallizes in the monoclinic system, space group P21/c, with Mr=771.26 (C45H41CuO4P2), a=0.9...The crystal and molecular structure of [(PPh3)2Cu(O2CPhOH)]·CH3CH2OH has been determined by X ray crystallography. It crystallizes in the monoclinic system, space group P21/c, with Mr=771.26 (C45H41CuO4P2), a=0.96413(19)nm, b=1.5780(3)nm, c=2.5426(5)nm, β=100.27(3)°, V=3.8065(13)nm3, The title compound consists of discrete copper? bis(triphenylphosphine) salicylate molecules and ethanol solvate. Each Cu is coordinated to two phosphorus atoms of triphenylphosphine ligands and one of carboxylate oxygens in a trigonal planar geometry. In the solid, the intramolecular hydrogen bond and extensive intermolecular interaction connecting (PPh3)2Cu(O2CPhOH) molecules and ethanol solvate form hydrogen bonds network which stabilize the crystal structure. CCDC: 208730.展开更多
The crystal and molecular structure of [CoCl2(N4 trzCH2CH2COPh)4]·6H2O (trz=1,2,4 triazole) has been determined by X ray diffraction. It crystallizes in the monoclinic system, space group P21/c, with unit cell pa...The crystal and molecular structure of [CoCl2(N4 trzCH2CH2COPh)4]·6H2O (trz=1,2,4 triazole) has been determined by X ray diffraction. It crystallizes in the monoclinic system, space group P21/c, with unit cell parameters a=0.8039(2)nm, b=1.0822(2)nm, c=2.9013(6)nm, β=94.79(3)°, and Z=4. Each cobalt atom is coordinated by four N atoms of triazole from four 1 propiophenone 1,2,4 triazole ligands and two chloride anion in cis arrangement with almost perfect octahedral coordination geometry. In addition to the coordinating cobalt complex, there are six uncoordinated water molecules, which complete the crystal structure. In the solid state, the title compound forms three dimensional network structure through hydrogen bonds. The intermolecular hydrogen bonds connect the [CoCl2(C2H2N3CH2CH2COPh)4] and H2O moieties. CCDC: 200711.展开更多
A novel cadmium(Ⅱ) isothiocyanate complex [Cd(N-MeIM)2(SCN)2]n (N-MeIM=N-methylimidazole) has been prepared and characterized by spectroscopic analysis and crystallographic method. The title compound crystallize in t...A novel cadmium(Ⅱ) isothiocyanate complex [Cd(N-MeIM)2(SCN)2]n (N-MeIM=N-methylimidazole) has been prepared and characterized by spectroscopic analysis and crystallographic method. The title compound crystallize in the Triclinic system, space group P1, with lattice parameters a=0.589 50(12) nm, b=0.785 70(16) nm, c=0.882 00(18) nm, α=110.98(3)°, β=106.49(3)°, γ=95.08(3)°, and Z=1. The title compound exhibits an infinite chain structure in which each pair of Cd atoms is bridged by two η-1,3-SCN- groups. The unique Cd atom lies on an inversion centre and the coordination sphere is completed by two N-MeIM N atoms to form a CdS2N4 octahedron. The polymeric chains are further extended into three-dimensional network via π...π stackings interactions between the imidazole rings. The cyclic voltammetry behaviors of the compound on glass carbon electrode showed a typical irreversible process. CCDC: 265283.展开更多
The crystal and molecular structure of ·(ClO4)2 has been determine d by X-ray crystallography. It crystallizes in the monoclinic, space group P21/ c, with lattice parameters a=0.63270(9)nm, b=2.4264(2)nm, c=1.212...The crystal and molecular structure of ·(ClO4)2 has been determine d by X-ray crystallography. It crystallizes in the monoclinic, space group P21/ c, with lattice parameters a=0.63270(9)nm, b=2.4264(2)nm, c=1.2128(1)nm, β=92.7 21(9)°, V=1.8597(3)nm3, Z=4, Dc=1.835Mg·m-3, F(000)=1032, μ=1.591mm-1. The molecule is built up of centro-symmetric dimeric entities, in which the four-m embered Ag2S2 ring is planar and the angle of S(3)-Ag(1)-S(3A) is 107.70(2)°f or symmetry requirements. The silver atoms have slightly distorted tetrahedral c oordination environment, and the sulfur atoms of the ETU group occupy four coord ination sites. The two percholate anions in general position balance the charge. In the solid state, the title compound forms three dimensional network structur es through hydrogen bonds. The intermolecular hydrogen bonds and extensive inter molecular interaction connect the 2+ion and two ClO4-anions to cont ribute to the stability of the structure. CCDC: 208731.展开更多
A novel N,N′-dibenzyl-benzimidazolium tetrachlorocuprate(II) complex, 2, was synthesized and its crystal structure was determined by X-ray diffraction. It crystallizes in monoclinic system, space group P2/c, a=1. 203...A novel N,N′-dibenzyl-benzimidazolium tetrachlorocuprate(II) complex, 2, was synthesized and its crystal structure was determined by X-ray diffraction. It crystallizes in monoclinic system, space group P2/c, a=1. 203 9(2) nm, b=0.975 0(2) nm, c=1.878 2(6) nm, β=114.12(2)°, V=2.012 2(8) nm3. Its structure was identified by EA, IR and UV spectra and characterized by elec trochemistry, thermal and magnetic property. The Cu(II) atom of 2- has di storted tetrahedral coordination geometry. In the crystal structure, there are s trong extensive C-H…Cl hydrogen bonds and π-π stacking interactions, which st abilized the crystal structure. CCDC: 221570.展开更多
The crystal structure of the title compound, Cl2·4H2O, (Im=imidazole) was determined by X-ray analysis. The crystal structure consists of Fe(Im)62+ cation, two Cl- anions and four non-coordinated water molecules....The crystal structure of the title compound, Cl2·4H2O, (Im=imidazole) was determined by X-ray analysis. The crystal structure consists of Fe(Im)62+ cation, two Cl- anions and four non-coordinated water molecules. It crystallizes in the triclinic system, space group P1, with lattice parameters a=0.879 7(2) nm, b=0.906 8(2) nm, c=1.058 1(2) nm, α=75.35(3)°, β=83.20(3)°, γ=61.85(3)°, and Z=1; The Fe(Ⅱ) ion assumes centrosymmetric octahedron geometry with the FeN6 core. Six imidazole molecules are coordinated to each iron(Ⅱ) ion through its tertiary nitrogen atom. The bond distances of Fe-N are in range of 0.212 8(1) nm to 0.220 4(1) nm. In the solid state, 2+, H2O molecules and chlorine anions form three dimensional hydrogen bonds network which stabilized the crystal structure. Elemental analysis and electronic spectrum are in agreement with the structural data. The thermal gravity (TG) data indicate that thermal decomposition of the title compound takes place in five steps. In these cases, the residue may be Fe. From the cyclic voltammogram measurement in EtOH/H2O, we know that electrode reaction was a quasi-reversible process. CCDC: 215335.展开更多
文摘The crystal structure of quasi-one-dimensional compound Ni2 (Pyrd=pyrrolidine) has been determined by X-ray diffraction technique. It crystallizes in the monoclinic system, space group P21/c, with lattice parameters a=0.631 6(1) nm, b=0.746 5(2) nm, c=1.576 5(4) nm, β=106.08(3)°, and Z=2. The nickel atom had a square-planar geometry. The most prominent feature in the crystal structure is that the bis(pyrrolidinedithiocarbamato) nickel(Ⅱ) forms a well-separated stacking column along the a-axis through supramolecular interaction, and they are uniformly spaced to give a helical one-dimensional chain structure. CCDC: 220648.
文摘Crystal structure of the title compound, Cu(phen)(H2O)2· ClO4(phen=1,10 phenanthroline), was determined by X ray crystallography. It crystallizes in the monoclinic system, space group C2/c with lattice parameters a=1.49071(4)nm, b=1.38594(4)nm, c=0.70292(1)nm, β =108.509(1)° and Z=4; The Cu? ion is chelated by a phen ligand and two aqua ligands in cis arrangement and assumes a C2 symmetric square planar geometry with the CuN2O2 core. Eight Cu(phen)(H2O)2· ClO4 molecules are interconnected by strong hydrogen bonds between coordinated water molecules and uncoordinated perchlorate anions to form a molecular scale cavities along c axis. The bond distances of Cu N and Cu O are 0.2003(4)nm and 0.1973(3)nm, respectively. CCDC: 197600.
文摘The structure of [Cu2(Hdmg)4] (Hdmg=dimethylglyoxime anion) has been determined by X ray crystallography. It is monoclinic, space group P21/n, with Z=2. The lattice parameters: a=0.71601(14)nm; b=1.7044(3)nm; c=1.0126(4)nm; β =113.89(2)° ; Mr=587.52 (C16H28Cu2N8O8); V=1.1299(5)nm3. The copper atom lies in a distorted square pyramidal environment. The four equatorial donors are four nitrogen atoms from bidentate chelate dimethylglyoxime anion ligands. The oxygen atom from the dimethylglyoxime ligand acts as a bridging atom occupying the apical position of the symmetry related copper atom in the dimer structure. The two dimethylglyoximes bridge two copper atoms to form a six member Cu2O2N2 ring, respectively. The thermal gravity (TG) data indicate that the compound [Cu2(Hdmg)4] undergoes two exothermic reactions with loss of the organic ligand to give residue CuO. CCDC: 208729.
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 crystal structures of the complexes of [Au(Et XA)(PPh3)2] (1), and [Cu(Et XA)(PPh3)2] (2), have been determined by X ray crystallography. They are isomorphous. The crystal structures are very similar and consist of discrete molecules of [Au(Et XA)(PPh3)2] and [Cu(Et XA)(PPh3)2], respectively. They all display distorted tetrahedral geometry around the central metal atom. In the complexes, the ethylxanthate ions act as bidentate ligands with their S atoms coordinated to metal. Each forms a four member chelate ring. The P atoms from two triphenylphosphine ligands are coordinated to the metal atom. The Au P bond lengths are 0.2295(2)nm and 0.2329(2)nm, and the Au S bond lengths are 0.2620(3)nm and 0.2846(3)nm, respectively. The Cu P and Cu S bond lengths are 0.2254(1)nm, 0.2273(2)nm, and 0.2375(1)nm, 0.2495(2)nm, respectively. Elemental analysis, electronic and IR spectra are in agreement with the structural data. CCDC: 1, 208728; 2, 208903.
文摘The structure of the title compound has been determined by X-ray crystallography. Each copper atom is chelated by two N-salicylidene-aniline anion ligands with Cu-O and Cu-N distances of 0.187 6(3) and 0.200 1(4) nm, respectively. The central copper(Ⅱ) is four-coordinated and in distorted square-planar environment. The phenyl rings with salicylidene moieties form a dihedral angle of 65.40°. There are C-H...e supramolecular interactions in the crystal structure. The title compound is also examined by elemental analysis, FT-IR, UV spectra and TG-DSC analysis. CCDC: 222315.
文摘The title compound, [CoCl2(C7H5N2CH2Ph)2], has been synthesized and structurally characterized by elemental analysis, IR, UV-Vis spectra, TG-DSC and X-ray crystallography. The coordination geometry of each Co atom is formed, by two N atoms from two benzyl-benzimidazole ligands and by two Cl anions, is of a tetrahedron. The data of EA, IR and UV-vis spectra are in good agreement with the result of crystal structure determination. The thermal gravimetry (TG) data indicate that there are four decomposition steps with five endothermic peaks. The final product of the thermal decomposition is Co. The electrochemical properties of the complex was also studied in H2O/DMF solvent by cyclic voltammetry(CV). CCDC:211442.
文摘The crystal and molecular structure of [(PPh3)2Cu(O2CPhOH)]·CH3CH2OH has been determined by X ray crystallography. It crystallizes in the monoclinic system, space group P21/c, with Mr=771.26 (C45H41CuO4P2), a=0.96413(19)nm, b=1.5780(3)nm, c=2.5426(5)nm, β=100.27(3)°, V=3.8065(13)nm3, The title compound consists of discrete copper? bis(triphenylphosphine) salicylate molecules and ethanol solvate. Each Cu is coordinated to two phosphorus atoms of triphenylphosphine ligands and one of carboxylate oxygens in a trigonal planar geometry. In the solid, the intramolecular hydrogen bond and extensive intermolecular interaction connecting (PPh3)2Cu(O2CPhOH) molecules and ethanol solvate form hydrogen bonds network which stabilize the crystal structure. CCDC: 208730.
文摘The crystal and molecular structure of [CoCl2(N4 trzCH2CH2COPh)4]·6H2O (trz=1,2,4 triazole) has been determined by X ray diffraction. It crystallizes in the monoclinic system, space group P21/c, with unit cell parameters a=0.8039(2)nm, b=1.0822(2)nm, c=2.9013(6)nm, β=94.79(3)°, and Z=4. Each cobalt atom is coordinated by four N atoms of triazole from four 1 propiophenone 1,2,4 triazole ligands and two chloride anion in cis arrangement with almost perfect octahedral coordination geometry. In addition to the coordinating cobalt complex, there are six uncoordinated water molecules, which complete the crystal structure. In the solid state, the title compound forms three dimensional network structure through hydrogen bonds. The intermolecular hydrogen bonds connect the [CoCl2(C2H2N3CH2CH2COPh)4] and H2O moieties. CCDC: 200711.
文摘A novel cadmium(Ⅱ) isothiocyanate complex [Cd(N-MeIM)2(SCN)2]n (N-MeIM=N-methylimidazole) has been prepared and characterized by spectroscopic analysis and crystallographic method. The title compound crystallize in the Triclinic system, space group P1, with lattice parameters a=0.589 50(12) nm, b=0.785 70(16) nm, c=0.882 00(18) nm, α=110.98(3)°, β=106.49(3)°, γ=95.08(3)°, and Z=1. The title compound exhibits an infinite chain structure in which each pair of Cd atoms is bridged by two η-1,3-SCN- groups. The unique Cd atom lies on an inversion centre and the coordination sphere is completed by two N-MeIM N atoms to form a CdS2N4 octahedron. The polymeric chains are further extended into three-dimensional network via π...π stackings interactions between the imidazole rings. The cyclic voltammetry behaviors of the compound on glass carbon electrode showed a typical irreversible process. CCDC: 265283.
文摘The crystal and molecular structure of ·(ClO4)2 has been determine d by X-ray crystallography. It crystallizes in the monoclinic, space group P21/ c, with lattice parameters a=0.63270(9)nm, b=2.4264(2)nm, c=1.2128(1)nm, β=92.7 21(9)°, V=1.8597(3)nm3, Z=4, Dc=1.835Mg·m-3, F(000)=1032, μ=1.591mm-1. The molecule is built up of centro-symmetric dimeric entities, in which the four-m embered Ag2S2 ring is planar and the angle of S(3)-Ag(1)-S(3A) is 107.70(2)°f or symmetry requirements. The silver atoms have slightly distorted tetrahedral c oordination environment, and the sulfur atoms of the ETU group occupy four coord ination sites. The two percholate anions in general position balance the charge. In the solid state, the title compound forms three dimensional network structur es through hydrogen bonds. The intermolecular hydrogen bonds and extensive inter molecular interaction connect the 2+ion and two ClO4-anions to cont ribute to the stability of the structure. CCDC: 208731.
文摘A novel N,N′-dibenzyl-benzimidazolium tetrachlorocuprate(II) complex, 2, was synthesized and its crystal structure was determined by X-ray diffraction. It crystallizes in monoclinic system, space group P2/c, a=1. 203 9(2) nm, b=0.975 0(2) nm, c=1.878 2(6) nm, β=114.12(2)°, V=2.012 2(8) nm3. Its structure was identified by EA, IR and UV spectra and characterized by elec trochemistry, thermal and magnetic property. The Cu(II) atom of 2- has di storted tetrahedral coordination geometry. In the crystal structure, there are s trong extensive C-H…Cl hydrogen bonds and π-π stacking interactions, which st abilized the crystal structure. CCDC: 221570.
文摘The crystal structure of the title compound, Cl2·4H2O, (Im=imidazole) was determined by X-ray analysis. The crystal structure consists of Fe(Im)62+ cation, two Cl- anions and four non-coordinated water molecules. It crystallizes in the triclinic system, space group P1, with lattice parameters a=0.879 7(2) nm, b=0.906 8(2) nm, c=1.058 1(2) nm, α=75.35(3)°, β=83.20(3)°, γ=61.85(3)°, and Z=1; The Fe(Ⅱ) ion assumes centrosymmetric octahedron geometry with the FeN6 core. Six imidazole molecules are coordinated to each iron(Ⅱ) ion through its tertiary nitrogen atom. The bond distances of Fe-N are in range of 0.212 8(1) nm to 0.220 4(1) nm. In the solid state, 2+, H2O molecules and chlorine anions form three dimensional hydrogen bonds network which stabilized the crystal structure. Elemental analysis and electronic spectrum are in agreement with the structural data. The thermal gravity (TG) data indicate that thermal decomposition of the title compound takes place in five steps. In these cases, the residue may be Fe. From the cyclic voltammogram measurement in EtOH/H2O, we know that electrode reaction was a quasi-reversible process. CCDC: 215335.
