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1.
In the presence of ethylenediamine template agents, a metal(II) phosphonate, [NH3CH2CH2NH3][Fe2(O3PCH(OH)CO2)2(H2O)2]?·?2H2O (1) has been synthesized under hydrothermal conditions and characterized by single-crystal X-ray diffraction as well as infrared spectroscopy, elemental analysis and thermogravimetric analysis. The compound crystallines in the monoclinic space group P21/n: Crystal data for 1: a?=?8.4523(8)?Å, b?=?9.8196(9)?Å, c?=?10.9217(10)?Å, β?=?105.9500(10)°, V?=?871.58(14)?Å, Z?=?2, D c?=?2.103?g?cm?3, R 1?=?0.0290, wR 2?=?0.0811. The Fe (II) cation is octahedrally coordinated by six oxygen atoms from the three ligands and one coordinated water molecule to form a 2D layered structure with a one-dimensional channel system in the a-axis direction.  相似文献   

2.
The chiral dinuclear heterometallic complexes [Cu(dach)2][Pt(CN)4]?·?2H2O (1), [Ni(dach)3][Pt(CN)4]?·?2DMF?·?H2O (2), and [Pd(dach)4][Pt(CN)4]?·?H2O (3) (dach?=?1R,2R-cyclohexanediamine) have been prepared and characterized by X-ray diffraction analysis. Crystal data: 1, monoclinic, P21, a?=?8.108(3), b?=?15.552(6), c?=?9.914(4)?Å, β?=?110.931(6)°, V?=?1167.6(8)?Å3, Z?=?2, R 1?=?0.0420, wR 2?=?0.1122; 2, monoclinic, P21, a?=?13.264(11), b?=?9.285(7), c?=?16.211(13)?Å, β?=?111.640(9)°, V?=?1856(3)?Å3, Z?=?2, R 1?=?0.0276, wR 2?=?0.0698; 3, monoclinic, P21, a?=?6.887(2), b?=?12.809(4), c?=?12.975(4)?Å, β?=?94.865(4)°, V?=?1140.6(6)?Å3, Z?=?2, R 1?=?0.057, wR 2?=?0.156. In complex 1, the Pt and Cu atoms are linked by a CN bridge that presents a very bent C=N–Cu angle [136.8(8)°].  相似文献   

3.
Two complexes [CuL2(H2O)2] (1) and [ZnL2(H2O)2] (2) (L?=?3-carboxyl-1,2,4-triazole (L)) have been synthesized and characterized by single-crystal X-ray diffraction analysis. Compound 1 crystallizes in the monoclinic space group P 2(1)/n, a?=?8.632(8)?Å, b?=?9.153(8)?Å, c?=?6.991(7)?Å, β?=?94.279(12)°, Z?=?2, R 1?=?0.0296, wR 2?=?0.0918. Compound 2 also crystallizes in the monoclinic space group P 2(1)/n, a?=?4.937(3)?Å, b?=?18.107(10)?Å, c?=?6.344(4)?Å, β?=?106.839(7)°, Z?=?2, R 1?=?0.0230, wR 2?=?0.0556. Extensive intermolecular hydrogen bonds assemble 1 and 2 into three-dimensional (3D) supramolecular architectures, with eight-member H-bonded synthons. Compounds 1 and 2 were also characterized by element analysis, FT–IR, luminescence and EPR studies.  相似文献   

4.
Two one-dimensional linear coordination polymers, [Mg(L)?·?4(H2O)] (H2L?=?olsalazine) and 2 [Ca(L)?·?4(H2O)] were obtained from self-assembly of CaCl2 or MgSO4 with olsalazine and their structures determined by single crystal X-ray diffraction. Both complexes are one-dimensional polymers, for complex 1 with crystal data: P2(1)/c, a?=?9.5224(18), b?=?11.309(2), c?=?16.211(3)?Å, β?=?106.648(3)°, V?=?1672.6(6)?Å3, Z?=?4, R 1?=?0.0695, wR 2?=?0.2183, for complex 2 with crystal data: P4(3)2(1)2, a?=?10.4006(2), b?=?10.4006(2), c?=?32.0746(10)?Å, V?=?3469.59(14)?Å3, Z?=?8, R 1?=?0.0332, wR 2?=?0.1015. In the complexes, Mg and Ca adopt totally different coordination modes. Alkaline-earth Mg is six-coordinate octahedronal geometry, however, in 2, the local coordination geometry around calcium atom can be best described as a slightly distorted pentagonal bipyramid crystallizing in a homo-chiral space group. Olsalazine in both compounds also adopts dissimilar coordination modes.  相似文献   

5.
6.
The title compound Cd8(OH)8(SO4)4 (1) obtained under hydrothermal conditions by reacting Cd(OH)2 with 4-aminobenzenesulfonic acid in an aqueous ethanol solution was confirmed by single-crystal X-ray diffraction. Crystal data: P21/c with a?=?6.8984(4), b?=?7.5640(4), c?=?11.3919(5)?Å, β?=?119.763(2)°, V?=?516.01(5)?Å3, H8Cd8O24S4, M r ?=?1419.50, Z?=?1, D c ?=?4.568?Mg?m?3, μ?=?8.595?mm?1, F(000)?=?648, R?=?0.023, wR?=?0.060 for 1208 observed reflections [I?>?2σ(I?)]. The crystal structure of complex 1 forms a three-dimensional (3-D) framework.  相似文献   

7.
Two metal complexes, [NiII(mscinn)2(pda)2] (1) and [CdII(mscinn)2(dmeda)2·2H2O] (2) (mscinn?=?4-methylsulfonyl cinnamate, pda?=?propane-1,3-diamine, dmeda?=?N′,N′-dimethylethane-1,2-diamine), were synthesized by reacting 4-methylsulfonyl cinnamate with the diamines and metal salts. Their structures were determined by single-crystal X-ray diffraction analysis. Crystal parameters of 1: C26H38N4NiO8S2, M?=?657.43, monoclinic, P21/c, a?=?16.6123(8)?Å, b?=?8.5956(4)?Å, c?=?11.2047(5)?Å, β?=?107.423(1)°, V?=?1526.54(12)?Å3, Z?=?2, D calcd?=?1.430?g?cm?3, F(000)?=?692, μ?=?0.825?mm?1, R 1?=?0.0257, wR 2?=?0.0669. Crystal data of 2: C28H42CdN4O8S2?·?2(H2O), M?=?775.24, monoclinic, P21/c, a?=?9.8278(4)?Å, b?=?11.6611(5)?Å, c?=?15.3972(7)?Å, β?=?96.195(1)°, V?=?1754.26(13)?Å3, Z?=?2, D calcd?=?1.468?g?cm?3, F(000)?=?804, μ?=?0.798?mm?1, R 1?=?0.0299, wR 2?=?0.0770. Antimicrobial activities for 1 and 2 against Escherichia coli, Pseudomonas putida, Bacillus subtilis, and Bacillus cereus had better antibacterial activity than their parent carboxylic acid against Gram-positive bacteria (B. subtilis and B. cereus). The cadmium complex of the cinnamate displayed high inhibitory activity with an MIC value of 5?µg?mL?1 against P. putida, while the nickel complex also exhibited good inhibitory potency with an MIC value of 5?µg?mL?1 against B. subtilis.  相似文献   

8.
A metal-organic coordination polymer, { [p-MeBzlPh3P][ZnCl2(NA)]} n (1) (NA?=?nicotinic acid), has been hydrothermally synthesized and characterized by IR, UV-Vis, TG analysis, elemental analysis, fluorescence analysis and single crystal X-ray diffraction. Compound 1 crystallizes in the monoclinic system, space group P21/c, a?=?10.1049(3)?Å, b?=?25.3888(6)?Å, c?=?14.7244(3)?Å, β?=?129.2740(10)°, V?=?2924.31(13)?Å3, Z?=?4, R 1?=?0.0639, wR 2?=?0.1695 and S?=?1.133. The structure of 1 has a one-dimensional structure with [p-MeBzlPh3P]+ counter-cations alternately residing on both sides of the one-dimensional anionic chains of the zigzag-chain polymer. Compound 1 exhibits strong fluorescence in solid state at room temperature.  相似文献   

9.
10.
Two new arsenic–vanadate compounds [Co(C4H13N3)2]2[As8V14O42(H2O)]?·?3.5H2O (1) and (C2N2H9)2(C2N2H10)[As8V14O42(H2O)]?·?2.33H2O (2) have been hydrothermally synthesized and characterized by X-ray single crystal diffraction, IR spectra and thermogravimetric analysis. Compound 1 crystallizes in the monoclinic space group P 2(1)/c, a?=?24.649(9)?Å, b?=?13.364(5)?Å, c?=?22.463(8)?Å, β?=?104.008(5)°, V?=?7180(5)?Å3, Z?=?4, R 1?=?0.0787, and wR 2?=?0.1859. Compound 2 crystallizes in rhombohedral system with space group R3c, a?=?b?=?c?=?22.2405(5)?Å, α?=?β?=?γ?=?110.4030(10)°, V?=?8163.4(3)?Å3, Z?=?6, R 1?=?0.0341 and wR 2?=?0.0941. The structural analyses show that both compounds have the same discrete cluster anion [As8V14O42(H2O)]4?. Moreover, in 1, the polyanions are connected through van der Waals forces to generate soft channels that are filled by [Co(C4H13N3)2]2+ cations and water. In 2, water and organic molecules link cluster anions to create the supramolecular assembly through hydrogen bonding.  相似文献   

11.
A new metal-organic coordination polymer [Zn2(C2O4)2(C3N2H4)2] n (1) has been hydrothermally synthesized with ZnCl2·2H2O, oxalic acid and imidazole. The compound has a 2D network, consisting of infinite zinc(II) oxalate chains connected to each other by three-coordinate oxygen atoms. Within the chains, the zinc atoms are each octahedrally coordinated by one nitrogen atom from imidazole and five oxygen atoms from oxalate groups. Furthermore, there are two coordination modes of oxalate to zinc ions: chelate bis-bidentate and chelate/bridging bis-bidentate in compound 1, and the latter is rare among related compounds. Crystal data: monoclinic, P2(1)/c, a?=?8.4310(17), b?=?9.4060(19), c?=?8.2790(17)?Å, β?=?93.15(3)°, V?=?655.5(2)?Å3, Z?=?2, R 1?=?0.0322, wR 2?=?0.0850.  相似文献   

12.
A new two-dimensional compound C12H14O16Zn3 (1), containing seven-coordinate zinc atoms was prepared by the hydrothermal technique. The compound obtained was characterized by TG-DTA, single crystal X-ray diffraction, elemental analysis and FT-IR analysis. Single-crystal X-ray diffraction analysis shows that compound 1 crystallizes with monoclinic symmetry in the space group P21/c, a?=?6.1552(13)?Å, b?=?14.546(3)?Å, c?=?9.581?Å, β?=?102.66(2)°, V?=?836.9(4)?Å3, Z?=?2, R1?=?0.0311, wR2?=?0.0830.  相似文献   

13.
Two new compounds, [Zn(phen)3]2[γ-As8V14O42(H2O)]?·?4H2O (1) and [Cd(phen)3]2[γ-As8V14O42(H2O)]?·?2H2O (2) (phen?=?1,10′-phenanthroline), have been hydrothermally synthesized and structurally characterized by single-crystal X-ray diffraction, infrared spectrum, and thermogravimetric analysis. Compound 1 crystallizes in the triclinic space group P 1 with a?=?11.429(4)?Å, b?=?15.760(5)?Å, c?=?15.952(5)?Å, α?=?108.825(5)°, β?=?92.194(5)°, γ?=?104.155(5)°, V?=?2615.6(15)?Å3, Z?=?1; 2 crystallizes in the triclinic space group P 1 with a?=?11.450(4)?Å, b?=?15.629(6)?Å, c?=?16.302(6)?Å, α?=?109.177(5)°, β?=?92.628(5)°, γ?=?104.251(4)°, V?=?2644.8(17)?Å3, Z?=?1. Single-crystal structural analysis shows that both 1 and 2 consist of a new type of [γ-As8V14O42(H2O)]4? cluster anion.  相似文献   

14.
The synthesis and X-ray characterization of two supramolecular isomers, [Co(oba)(2,2′-bpy)] n (1 and 2) (oba?=?4,4′-oxybis(benzoate), 2,2′-bpy?=?2,2′-bipyridine) are reported. Crystal data for 1: a?=?12.026(2), b?=?15.120(3), c?=?11.361(2)?Å, β?=?91.46(3)°, Z?=?4, R 1?=?0.0330, wR 2?=?0.0949. Crystal data for 2: a?=?16.171(3), b?=?19.162(4), c?=?22.914(5)?Å, α?=?107.66(3), β?=?91.46(3), γ?=?98.99(3)°, Z?=?2, R 1?=?0.0388, wR 2?=?0.0456. They are conformational supramolecular isomers without solvent molecules in the structures, and exhibit different one-dimensional helical structures that are further assembled into distinct two-dimensional layers via π–π stacking interactions. The results indicate that the geometry of ligand is one of the most important factors for the construction of a helical motif.  相似文献   

15.
A new Co(II) diphosphonate compound, [Co(HEDPH2)2] (4,4′-bipyH2)?·?H2O (1) has been successfully obtained by a rheological phase reaction at 80°C. Single-crystal diffraction analysis shows a 1-D chain structure and the 1-D chains are assembled via hydrogen bonds into a 3-D supramolecular structure with channels. The protonated 4,4′-bipy molecules are encapsulated in the channels. Magnetic study shows 1 to exhibit antiferromagnetic interaction in the 1D Co--O--P--O--Co chain. Crystal data for 1: monoclinic, space group Cc, a?=?15.754(6)?Å, b?=?14.457(5)?Å, c?=?10.020(4)?Å, β?=?92.024(6)°, V?=?2280.7(14)?Å3, Z?=?4.  相似文献   

16.
The hydrothermal reactions of Nd(ClO4)3·6H2O, Gd(ClO4)3·6H2O, Dy(ClO4)3·6H2O, Er(ClO4)3·6H2O with 1,3-dicyanobenzene, give rise to four one-dimensional rare earth-based coordination polymers: [M(3-CNC6H4COO)3(H2O)2] n (where M?=?Nd (1), Gd (2), Dy (3), Er (4), 3-CNC6H4COO?=?3-cyanobenzoato), respectively. Their solid-state structures have been characterized by X-ray single-crystal diffraction studies. The results show that 1,3-dicyanobenzene hydrolyzed to give 3-cyanobenzoato under hydrothermal condition, and the four complexes are isomorphous. Crystal data for 1: triclinic, space group P-1, a?=?9.4063(19), b?=?11.485(2), c?=?12.616(3)?Å, α?=?66.38(3), β?=?74.01(3), γ?=?86.96(3)°, V?=?1197.9(4)?Å3, Z?=?1, D c?=?1.704?Mg?m?3; for 2: triclinic, space group P-1, a?=?9.3712(19), b?=?11.446(2), c?=?12.627(3)?Å, α?=?65.86(3), β?=?73.89(3), γ?=?86.84(3)°, V?=?1184.8(4)?Å3, Z?=?1, D c?=?1.759?Mg?m?3; for 3: triclinic, space group P-1, a?=?9.3425(19), b?=?11.432(2), c?=?12.703(3)?Å, α?=?65.28(3), β?=?73.80(3), γ?=?86.86(3)°, V?=?1180.6(4)?Å3, Z?=?1, D c?=?1.780?Mg?m?3; for 4: triclinic, space group P-1, a?=?9.3425(19), b?=?11.432(2), c?=?12.703(3)?Å, α?=?65.28(3), β?=?73.80(3), γ?=?86.86(3)°, V?=?1180.6(4)?Å3, Z?=?1, D c?=?1.7794?Mg?m?3. The fluorescence emission spectra of compounds 1 to 4 are also reported.  相似文献   

17.
A lanthanide coordination complex [Eu(PAA)2(phen)(NO3)]2 (PAA?=?phenylacetic acid, phen?=?1,10-phenanthroline) has been synthesized by the hydrothermal method. Single crystal X-ray diffractions show that it forms a dimeric molecular structure. The title complex crystallizes in the triclinic system, space group P 1, with lattice parameters a?=?8.9473(8)?Å, b?=?13.3659(12)?Å, c?=?13.4745(12)?Å, α?=?60.7590(10)°, β?=?89.5100(10)°, γ?=?71.9850(10)°, V?=?1317.3(2)?Å3, D c?= 1.675?Mg?m?3, Z?=?1, F(000)?=?660, GOF?=?1.003, R 1?=?0.0206, wR 2?=?0.0575. The fluorescence excitation and emission spectra have been investigated.  相似文献   

18.
A new inorganic–organic hybrid material, [EtdiPy][Co(NCS)4] (1) ([EtdiPy]2+?=?1,1′-ethylene-2,2′-dipyridinium), was synthesized and characterized by elemental analysis, IR spectrum, UV-Vis spectrum, ESI-MS, and single-crystal X-ray diffraction. Compound 1 is monoclinic, space group P21/n, with a?=?21.691(5)?Å, b?=?8.639(2)?Å, c?=?21.748(5)?Å, β?=?90.124(3)°, V?=?4075.1(16)?Å3, D c?=?1.550?g cm?3, Z?=?8, F(000)?=?1928, and R 1?=?0.0435. The C–H···S hydrogen bond, short S···C, S···N interactions, p···π, and π···π interactions observed in the solid state of 1 give a 3-D structure. Magnetic measurements from 2 to 300?K have shown weak antiferromagnetic exchange with θ?=??0.892?K in 1.  相似文献   

19.
Three new triphosphonate compounds, [Zn(APTPH4)(2,2′-bipy)(H2O)]?·?2H2O (1), [Cd(APTPH4)(2,2′-bipy)(H2O)]?·?2H2O (2), and [Zn(APTPH4)(phen)2]?·?phen?·?4H2O (3) (APTPH6?=?1-aminopropane-1,1,3-triphosphonic acid, 2,2′-bipy?=?2,2′-bipyridine, phen?=?1,10-phenanthroline), are synthesized by a low-temperature hydrothermal method. Compounds 1 and 2 are isomorphous, both one-dimensional (1D) coordination polymers expanded into three-dimensional (3D) supramolecular structures by hydrogen bonds and π–π stacking interactions. Compound 3 is a molecular complex and forms a 3D network through an S-shaped water hexamer. Crystal data for 1: Triclinic, space group P 1, a?=?6.6814(5)?Å, b?=?10.0929(7)?Å, c?=?15.438(2)?Å, α?=?81.544(2)°, β?=?79.066(2)°, γ?=?82.278(2)°, Z?=?2; for 2: Triclinic, space group P 1, a?=?6.9380(8)?Å, b?= 10.043(2)?Å, c?=?15.681(2)?Å, α?=?81.357(2)°, β?=?78.510(2)°, γ?=?81.902(2)°, Z?=?2; Crystal data for 3: Triclinic, space group P 1, a?=?12.540(2)?Å, b?=?12.596(2)?Å, c?=?14.997(2)?Å, α?=?100.795(2)°, β?=?113.328(2)°, γ?=?101.358(2)°, Z?=?2.  相似文献   

20.
A new dipicolinate complex of Ru(II), cis-[Ru(phen)2dipic]?·?9.5H2O (1), where dipic is dipicolinate or pyridine-2,6-dicarboxylate and phen is 1,10-phenanthroline, has been synthesized and characterized by elemental analysis, spectroscopic (IR, UV-Vis), cyclic voltammetry, and single-crystal X-ray diffraction. ORTEP drawing of cis-[Ru(phen)2dipic]?·?9.5H2O shows that the coordination geometry around Ru(II) is a distorted octahedron. It crystallizes in the triclinic system, with space group P 1, a?=?10.4633(2)?Å, b?=?13.6332(4)?Å, c?=?13.6637(4)?Å, α?=?67.516(3)°, β?=?69.757(2)°, γ?=?77.201(2)°, V?=?1680.74(8)?Å3, Z?=?2, and R int?=?0.0311. In 1, two phen are bidentate N,N′ ligands. The Ru(II) in 1 is bonded to dipicolinate through pyridine nitrogen and one oxygen of carboxylate groups, thus pyridine-2,6-dicarboxylate is a bidentate N,O ligand. Efficient and selective oxidation of alcohols with NaIO4 as oxidant was conducted by this complex catalyst in CH3OH/H2O as solvents under air at room temperature.  相似文献   

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