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1.
A novel zinc coordination polymer,[Zn 2 (bptc)(bpe)(H 2 O)] n (1,H 4 bptc=3,3,4,4-benzophenonetetracarboxylate,bpe=1,2-bis(4-pyridyl) ethane),has been prepared under hydrother-mal conditions.The crystal structure is of monoclinic,space group C/2c with a=27.50(2),b=6.207(4),c=16.233(11),β=107.522(14)°,V=2642 (3)3,C 29 H 22 N 2 O 11 Zn 2,M r=705.27,Z=4,D c=1.773 g/cm 3,F(000)=1432,μ=1.887 mm-1,R=0.0421 and wR=0.1049 for 2594 observed reflections (I > 2σ(I)).X-ray single-crystal diffraction analysis shows that 1 features two-dimensional [Zn 2 (bptc)(H 2 O)] layers,which are further linked by the bpe ligands to give rise to a three-dimensional pillar-layered structure.According to the topology analysis,this framework can be simplified into a (4,6)-connected (4 4 ·6 2)(4 4 ·6 10 ·8) network.  相似文献   

2.
CHEN  Wen-Tong WEI  Kun-Yu 《结构化学》2011,30(5):672-677
A new one-dimensional (1-D) compound [Sm(PCA)3(H2O)2]n·6nH2O (1, HPCA=pyrazinecarboxylic acid) has been synthesized via hydrothermal reaction and structurally characterized by single-crystal X-ray diffraction. Compound 1 crystallizes in the Pbca space group of orthorhombic system with a=19.465(3), b=12.034(4), c=19.842(4) , V=4648(2)3, C15H25N6O14Sm, Mr=663.76, Dc=1.897 g/cm3, S=1.023, μ(MoKα)=2.610 mm-1, F(000)=2648, R=0.0239 and wR=0.0616. Compound 1 is characteristic of an infinite 1-D chain-like structure with the samarium atoms locating at an environment of a monocapped square antiprism. The [Sm(PCA)3(H2O)2]n chains and the lattice water molecules interconnect together through π-π interactions and hydrogen bonding interactions to yield a 3-D supramolecular framework. Photoluminescent investigation reveals that the title compound displays an emission in the greenish blue region.  相似文献   

3.
A new nickel citrate compound Ni(H2cit)(phen)(H2O).3H2O(H4cit = citrate acid,phen = 1,10-phenanthroline) has been synthesized and characterized by single-crystal X-ray diffraction.It crystallizes in the trigonal system,space group P31 with a = 13.8319(13),c = 10.425(2),V = 1727.3(4)3,Dc = 1.445 g/cm3,Mr = 501.09,F(000) = 780,μ = 0.901 mm-1,Z = 3,R = 0.0760 and wR = 0.1730 for 3859 observed reflections(I > 2σ(I)).In this compound,Ni2+ cation is chelated by a phen molecule,one H2cit2-anion and one H2O molecule.The citric acid coordinates to the Ni2+ center through three functional groups:α-hydroxyl,α-carboxylate and β-carboxylate while another α-carboxylate forms hydrogen bond with surrounding H2O molecule.And the citric acid is doubly protonated.The temperature-dependent magnetic susceptibility data revealed that the compound is a paramagnetic material.  相似文献   

4.
Two isomorphous 2D zigzag-ladder structure coordination polymers containing coordination supramolecular capsules are reported,which are built by trivalent lanthanide ions,pyridine N-oxide(PNO) and p-sulfonatothiacalix[4]arene(H4TCAS4-):[Ln2(PNO)2(H2O)10?(H2TCAS)2].[Ln2(H2TCAS)2(H2O)6(MeOH)2].2MeOH.12H2O(Ln = La,1;Nd,2).Crystal data for complex 1:C31H51La2NO33S8,Mr = 1500.03,triclinic system,P 1 space group,with a = 11.732(2),b = 15.007(3),c = 15.262(3),α = 78.05(3),β = 80.77(3),γ = 83.89(3)°,Z = 2,V = 2587.3(9)3,Dc = 1.925 g/cm3,μ = 2.051 mm-1,F(000) = 1500,the final R = 0.0300 and wR = 0.0823;and those for complex 2:C31H51Nd2NO33S8,Mr = 1510.69,triclinic system,P1 space group,with a = 11.719(2),b = 14.941(3),c = 15.157(3),α = 78.03(3),β = 80.84(3),γ = 83.95(3)°,Z = 2,V = 2555.9(9)3,Dc = 1.963 g/cm3,μ = 2.436 mm-1,F(000) = 1512,the final R = 0.0493 and wR = 0.1267.There are two coordination environments of lanthanide ions.One is bridged by two PNO molecules forming a dimeric Ln ion in the O,O'-μ2 mode.The dinuclear ions are shrouded by two H2TCAS6-ions through coordination interactions and hydrogen bonds.The other coordination mode of Ln ions is a zigzag 1D chain linked by up-down H2TCAS6-ions.By the coordination capsules,the complexes form 2D zigzag-ladder structure coordination polymers.  相似文献   

5.
A new polyoxomolybdate compound,namely {[MnII(L)(4,4?-Hbipy)(H2O)2]2 [Mo5O15(PO4)2]}.2H2O 1(L = 3-(2-pyridyl)pyrazole,4,4'-Hbipy = protonated 4,4'-bipyridine),was designed and synthesized under hydrothermal conditions.Single-crystal X-ray diffraction analysis result reveals that the [Mo5O15(PO4)2]6-cluster in compound 1 links to two MnII cations via the oxygen of PO43-,which is further coordinated by one 3-(2-pyridyl)pyrazole,one 4,4'-Hbipyridine,and two water molecules.  相似文献   

6.
A Ca II coordination polymer of H 2 Adefovir (H 2 Adefovir={[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}phosphonic acid),[Ca(H 2 O)(Adefovir)] n (1),has been synthesized via the reaction of Ca(OH) 2 and H 2 Adefovir under hydrothermal conditions.Complex 1 crystallizes in the monoclinic system,space group P2 1 /c with a=22.344(5),b=6.8505(14),c=8.0101(17),β=90.356(4)o,V=1226.0(4)3,M r=329.28,D c=1.784 g/cm 3,μ=0.672 mm-1,F(000)=680,Z=4,the final R=0.0296 and wR=0.0916 for 2295 observed reflections with I > 2σ(I).In the structure,the Ca II center is coordinated to the phosphate group of Adefovir anion,forming a 2D coordination layer,and such layers are linked into a 3D framework by hydrogen-bonding interactions between the adenine groups of Adefovir anion.  相似文献   

7.
周馨慧  黄维 《结构化学》2011,30(4):496-501
The title complex 1,{[CuEu(Hbidc)2(H2O)4]·H2O}n(H3bidc = 1H-benzimidazole-5,6-dicarboxylic acid),has been solvothermally synthesized and structurally characterized by single-crystal X-ray diffraction.Complex 1 crystallizes in triclinic,space group P1,with a = 7.791(2),b = 12.058(3),c = 12.109(3),α = 82.189(5),β = 72.407(5),γ = 89.184(4)°,V = 1073.7(5)3,C18H18CuEuN4O13,Mr = 713.86,Dc = 2.208 g/cm3,μ(MoKα) = 3.967 mm-1,F(000) = 700,GOOF = 0.950,Z = 2,the final R = 0.0531 and wR = 0.1068 for I > 2σ(I).Complex 1 possess a tape-like chain structure consisting of Eu2C8O4 and Cu2Eu2C18N4O4 metallic rings alternatively arranged and is the first 3d-4f heterometallic complex based on the 1H-ben-zimidazole-5,6-dicarboxylato ligand(Hbidc).Plenty of hydrogen-bonding and π...π stacking interactions connect the 1D chains to construct a 3D supramolecular architecture.  相似文献   

8.
The title complex [Cd(IPA)L(H2O)]n(1,H2IPA = isophthalic acid,L = 1,4-bis(pyra-zole-1-ylmethyl)benzene) has been hydrothermally synthesized,and characterized by elemental analyses,IR spectroscopy,TGA and X-ray single-crystal diffraction.It crystallizes in the triclinic system,space group P1 with a = 9.3060(6),b = 10.2374(7),c = 11.9706(8) ,α = 73.804(6),β = 77.883(5),γ = 85.942(5)°,V = 1070.7(1) 3,Z = 2,C22H20CdN4O5,Mr = 532.82,Dc = 1.653 g/cm3,μ = 1.062 mm-1,λ(MoKα) = 0.71073 ,F(000) = 536,R = 0.0392 and wR = 0.0640 for 3751 observed reflections with I > 2σ(I).Crystal structure analysis showed that complex 1 has a 1D double chain structure,which is assembled together through strong O-H...O hydrogen bonding interactions between coordinated water molecules and carboxylate groups of isophthalate to form a 2D supramolecular network.In addition,the solid-state fluorescent spectrum of 1 exhibits strong emission at 364 nm.  相似文献   

9.
A novel dinuclear copper(Ⅱ) complex [CuL(NO3)]2·2MeOH was obtained by the coordination reaction of Cu(NO3)2·3H2O with ligand HL (HL=N-(methyl-2-benzimidazol- methylidene)-2-hydroxyaniline). The single-crystal X-ray analysis has revealed that the complex crystallizes in triclinic, space group P with a=9.535(3), b=10.009(3), c=10.666(4) , α=104.303(4), β=100.105(4), γ=115.917(4)o, V=839.0(5) 3, C16H16CuN4O5, Mr=407.87, Z=2, Dc=1.614 g/cm3, F(000)=418, μ=1.338 mm-1, R=0.0543 and wR=0.0980. The basic dinuclear copper(Ⅱ) complex units [CuL(NO3)]2 are formed by NO3- as co-bridging ligands and L as NNO tridentate chelate coordinating to the copper ions. The ladder-like one-dimensional chain motifs are formed by O…H-O and O…H-N hydrogen bonds from methanol molecules connecting the dinuclear copper(Ⅱ) units.  相似文献   

10.
A novel coordination polymer, [Cd2Cl4(bpme)]n·n(H2O) (1, bpme=2,5-bis(be-nzoimidazol-2-yl)pyrazine), has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction. The crystal of the complex belongs to the triclinic system, space group P , with a=7.0737(9), b=8.7886(11), c=9.4561(12) , α=105.3580(10), β=94.981(2), γ=96.879(2)°, V=558.46(12) 3, Mr=714.97, Z=1, F(000)=346, Dc=2.126 g/cm3, μ=2.412 mm-1, T=296(2) K, S=1.057, R=0.0533 and wR=0.1480. According to the structural analysis, the Cd(Ⅱ) ion adopts a slightly distorted six-coordinated octahedral geometry. The Cd(Ⅱ) atoms are bridged by four Cl atoms along the a direction, forming infinite straight chains which are further constructed to generate 2D network layer structures through the μ4-N bpme ligand in the b direction, and such 2D network layer structures finally form a novel three-dimensional infinite supramolecular framework through weak π-π stacking between two network layers and hydrogen bonds.  相似文献   

11.
邓记华  钟地长  梅光泉 《结构化学》2011,30(7):1054-1058
Hydrothermal reaction of MgCl 2 and ethyl tetrazolate-5-carboxylate at 160 ℃ unexpectedly yielded compound {(H 3 O)[Mg(H 2 O) 6 ]Cl 3 } (1).The result of X-ray diffraction analysis indicates that 1 crystallizes in the monoclinic system,space group C2/c with a=9.2896(3),b=9.5570(4),c=13.3169(5),β=90.1221(12)°,V=1182.28(8)3,Z=4,M r=257.78,D c=1.448 g/cm 3,μ=0.824 mm-1,F(000)=536,R=0.0265 and wR=0.0706.1 is composed of one hexa-aqua-magnesium(II) ion,one hydroxonium ion,and three chlorine anions.These three com-ponents weave a perfect three-dimensional (3D) (4,4,6,12)-connected hydrogen bonding network within 1.  相似文献   

12.
A novel three-dimensional (3D) silver(I) coordination polymer, namely [Ag2(dmtrz)2]n (1) (Hdmtrz=3,5-dimethyl-1H,1,2,4-triazole), was synthesized through diffusion method. 1 was characterized by elemental analysis, FT-IR spectroscopy, thermogravimetric analysis (TGA) and single-crystal X-ray diffraction. 1 crystallizes in the orthorhombic system, space group Iba2 with a=12.5026(10), b=7.6026(6), c=18.8981(17), V=1796.3(3)3, Z=6, Mr=407.98, Dc=2.263 g·cm-3, μ=3.252 mm-1, F(000)=1176, the final R=0.0304 and wR=0.0634 for 1310 observed reflections (I > 2σ(I)). In the structure of 1, silver(I) centers are triconnected to dmtrz ligands, forming the (3,3)-connected 3D coordination polymer with a 6.102 topology. The luminescence property of 1 was also studied in solid state at room temperature.  相似文献   

13.
A new ternary copper(II) complex,[C 43 H 27 Cu 2 N 7 O 5 ]·[C 14 H 6 CuN 2 O 8 ]·6.5H 2 O,has been synthesized by the reaction of copper sulfate,2,6-pyridinedicarboxylic acid and 1,10-phenanthroline (phen),and characterized by elemental analysis,IR,UV and X-ray single-crystal diffraction.It crystallizes in triclinic,space group P1,with a=14.379(5),b=15.510(5),c=15.835(6),α=78.567(6),β=63.594(6),γ=81.287(6)°,V=3092.1(19)3,C 57 H 46 Cu 3 N 9 O 19.5,M r=1359.54,Z=2,D c=1.446 Mg/m 3,λ(MoKα)=0.71073,μ=1.101 mm-1,F(000)=1362,S=1.071,the final R=0.0718 and wR=0.11960 for 10705 observer reflections (I > 2σ(I)).The structure unit of the title complex consists of a mononuclear part and a di-nuclear part,and the three copper ions show three coordination modes.Each 6-coordinated geometry of the Cu atom is a distorted octahedral coordination geometry.The 3D supramolecular system is formed by the hydrogen bond O-H···O and π-π stacking interaction between neighboring single cells.The antibacterial activity of the title complex is also studied.  相似文献   

14.
Two new lanthanide coordination polymers [Ln(C 5 H 2 N 2 O 4)(H 2 O) 2 (C 2 O 4) 0.5 ] n nH 2 O (Ln=Ce III (1) or Pr III (2);C 5 H 2 N 2 O 4=imidazole-4,5-dicarboxylate anion;C 2 O 4=oxalate anion) have been synthesized and structurally characterized by single-crystal X-ray diffraction,elemental analyses and IR spectrum.Both compounds crystallize in monoclinic,space group P2 1 /c with a=7.5225(3),b=17.2416(6),c=8.6089(3),β=110.9610(10)°,V=1042.68(7)3,Z=4,C 6 H 8 N 2 O 9 Ce,M r=392.26,D c=2.499 g/cm 3,μ(MoKα)=4.414 mm 1,F(000)=752,the final R=0.0167 and wR=0.0412 for 1;a=7.4973(3),b=17.2113(8),c=8.5729(4),β=110.9440(10)°,V=1033.14(8)3,Z=4,C 6 H 8 N 2 O 9 Pr,M r=393.05,D c=2.527 g/cm 3,μ(MoKα)=4.764 mm 1,F(000)=756,the final R=0.0192 and wR=0.0455 for 2.X-ray diffraction analyses reveal that the lanthanide cations in compound 1 or 2 are linked by imidazole-4,5-dicarboxylate and in situ generated oxalate anions via Ln-O and Ln-N covalent bonds to form two-dimensional layered networks.The successful synthesis of compound 1 or 2 also indicates a crystallographic confirmation for the decomposition of curcumin to form oxalate anion under solvothermal conditions.  相似文献   

15.
杨云霞  李可  李奇 《结构化学》2011,30(7):957-964
Two polymorphs of the inclusion compound [(n-C4H9)4N]+·(C13H9O3)-·H2O havebeen prepared and characterized by X-ray crystallography. Polymorph 1: triclinic P 1 , a =13.4982(2), b = 13.5743(2), c = 17.1996(2) , α = 67.045(1), β = 77.845(1), γ = 88.762(1)°, V =2830.43(7)3, Z = 4, R = 0.0491, wR = 0.1276; Polymorph 2: tetragonal P43, a = b = 13.53690(1) , c = 30.8491(8) , V = 5653.02(16)3, Z = 8, R = 0.0448, wR = 0.0984. In these two crystalstructures, the hydrogen-bonded ribbons built of 4,4 -dihydroxybenzophenone (DHBP, C13H10O3)anions and water molecules are orderly arranged to generate two-dimensional host layers, withtetrabutylammonium cations contained between the layers to form the sandwich-like inclusioncompounds. The structures of 1 and 2, which exist as two polymorphs, both display the similarpacking pattern and hydrogen-bond linking model.  相似文献   

16.
One novel entangled cobalt compound,{[Co 3 (nbta) 2 (4,4-bpy) 2 (H 2 O) 2 ](H 2 O) 2 } n (1,H 3 nbta=5-nitro-1,2,3-benzenetricarboxylic acid,4,4-bpy=4,4-bipyridyl),was prepared and characterized by X-ray diffraction,magnetism,elemental analysis,XPS,TGA and IR spectroscopy.The crystal of 1 crystallizes in monoclinic,space group Pc with a=13.0717(16),b=11.4167(14),c=15.9342(19),β=90.5190(10)o,V=2377.9(5)3,Z=2,C 48 H 36 Co 3 N 8 O 20,M r=1221.64,D c=1.706 g/cm 3,F(000)=1242 and μ(MoKα)=1.128 mm-1.The final R=0.0497 and wR=0.1461 for 4185 observed reflections with I > 2σ(I) and R=0.0721 and wR=0.1619 for all data.X-ray diffraction analyses revealed that Co(1) is linked by the nbta 3-ligands to form the ladder shape along the c axis,which is further extended into two-dimensional networks via the joint of Co(2) along the a axis.Moreover,these two dimensional motifs are interconnected by the 4,4-bpy bridges to form a complicated 3-D polymeric framework.Magnetic measurements revealed that compound 1 shows strong antiferromagnetic property.  相似文献   

17.
Treatment of complex [(μ-SCH 2) 2 NCH 2 Ph]Fe 2 (CO) 6 with PPh 3 in the presence of decarbonylating agent Me 3 NO·2H 2 O afforded the title complex [(μ-SCH 2) 2 NCH 2 Ph]Fe 2 (CO) 5 (PPh 3) in 70% yield.The new complex was characterized by elemental analysis,IR,and 1 H (31 P,13 C) NMR spectroscopic techniques as well as by X-ray crystallography.It crystallizes in triclinic,space group P 1 with a=9.3016(19),b=12.698(3),c=13.904(3),V=1519.8(7)3,Z=2,C 32 H 26 Fe 2 NO 5 PS 2,M r=711.33,D c=1.554 g/cm 3,μ(MoKα)=1.187 mm-1,F(000)=728,T=113(2) K,the final R=0.0288 and wR=0.0680 for 3982 observed reflections (I > 2σ(I)).The PPh 3 ligand resides in an axial position of the square-pyramidal geometry of the neighboring Fe atom and trans to the benzene ring in order to minimize the steric repulsion between PPh 3 and the benzene ring.  相似文献   

18.
Two mononuclear metal-organic complexes, [Co(Hmpdc)2(H2O)4]·4H2O 1 and [Ni(Hfmpdc)2(H2O)4]·6H2O 2, were prepared from 2,6-dimethylpyridine-3,5-dicarboxylic acid (H2mpdc) and 4-furyl-2,6-dimethylpyridine-3,5-dicarboxylic acid (H2fmpdc) with M(NO3)2 salts, respectively, and characterized by single-crystal X-ray diffraction, elemental analyses, IR spectroscopy, and photoluminescent measurement. Complex 1 crystallizes in triclinic, space group P with a = 7.634(5), b = 8.695(5), c = 10.757(6)(A), α = 69.647(7), β = 69.957(8), γ = 83.733(7)°, V = 628.9(7)(A)3, Dc = 1. 561 g/cm3, μ(MoKα) = 0.763 mm-1, F(000) = 309, Z = 1, the final R = 0.0553 and wR = 0.1469 for 1909 observed reflections (I > 2σ(I)). Complex 2 crystallizes in monoclinic, space group P21/n with a = 9.5934(16), b = 12.422(2), c = 14.826(3)(A), β = 105.201(2)°, V = 1705.0(5)(A)3, Dc = 1. 479 g/cm3, μ(MoKα) = 0.655 mm-1, F(000) = 796, Z = 2, the final R = 0.0351 and wR = 0.0889 for 2387 observed reflections (I > 2σ(I)). In the crystal structures of 1 and 2, diverse supramolecular motifs from 1-D chains/ladders to 3-D networks are constructed from corresponding distinct [MⅡ(H2O)8] ion clusters as the second building units, respectively. The solid state compounds of 1 and 2 show similar photoluminescent spectra with emission maximum at ca. 466 nm at room temperature.  相似文献   

19.
T The title coordination polymer including two crystallographically independent Co<'2+> ions is hydrothermally synthesized, in which the Co(1)<'2+> ion is four-coordinated by two carboxylate oxygen atoms from two different 5-(benzoic acid-4-yldiazenyl)isophthalate(byip<'3->)anions and two nitrogen atoms from two distinct 1,4-bis(imidazol-1-ylmethyl)benzene(bix)ligands displaying a tetrahedral geometry. The Co(2)<'2+> ion is six-coordinated by two water molecules at the apical positions, and two carboxylate oxygen atoms and two nitrogen atoms at the equatorial positions, affording a slightly distorted octahedron. Two Co(1)<'2+> and two Co(2)<'2+> ions are linked together by four byip<'3-> anions forming a 44-membered motif and these motifs are further arranged into a three-dimensional framework through bix ligands along the a axis with a larger channel(ca.22.70(A)×11.01(A)). Each individual network interpenetrates with the other identical network in a parallel fashion to generate a 2-fold interpenetrating array with the {6<'2>.8<'4>} {6<'3>}<,2> {6<'4>.8<'2>}<,2> topology.  相似文献   

20.
张锦  陈宏基  黄晶 《结构化学》2011,30(7):1069-1073
The title compound,[Zn(5-hydroxynicotinate) 2 2H 2 O] n,has been synthesized by reacting zinc sulfate vitriol with 5-hydroxynicotinic acid under hydrothermal conditions,and its structure was determined by X-ray crystallography with the following data:monoclinic,space group C2/c,C 12 H 12 N 2 O 8 Zn,M r=377.61,a=10.223(3),b=10.319(3),c=13.613(4),β=105.922(6)°,Z=4,V=1380.9(8)3,F(000)=768,D c=1.816 g/cm 3,μ(MoKα)=1.826 mm-1,the final R=0.0401 and wR=0.1380 for 1157 observed reflections (I > 2σ(I)).In the structure of the title compound,the Zn II ion located in an inversion center lies in a distorted tetrahedral environment at a N 2 O 2 coordination mode,and the 5-hydroxynicotinic acid ligand links symmetry-related Zn II ions at a μ 2-N,O bridging way forming a two-dimensional covalent structure.In the crystal,solvent water molecules form intermolecular O-H O hydrogen bonds and pyridine rings of adjacent layers form π-π stacking (3.346),which connect adjacent two-dimensional sheets into a three-dimensional supramolecular network.  相似文献   

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