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1.
A novel cadmium coordination polymer [Cd15(OH)4(SO4)4(L1)6(L2)12]n(HL1=1,2,3-1H-triazole,HL2=5-methyl-1H-tetrazole) has been synthesized and characterized by elemental analysis and single-crystal X-ray diffraction.The compound crystallizes in cubic Ⅰ-43d space group with a=21.5247(4),V=9972.7(3) 3,Z=4,Dc=2.360 g/cm3,Mr=3543.68,μ(MoKα)=3.298 mm-1,F(000)=6696,the final R=0.0340 and wR=0.0992 for 1909 observed reflections(Ⅰ> 2σ(Ⅰ)).The compound contains two crystallographically independent Cd coor-dination centers linked up through one L1 and two L2 bridges.The structure displays an inorganic-organic hybrid cadmium coordination polymer.  相似文献   

2.
A new cadmium(N) compound, {[ CdLu-(4,4'-dps) ]2(H2O)2]'(4'abs )2(H2O)2n 1 (4,4'-dps = 4,4'-dipyridylsulfide, 4-abs = deprotonated 4-amino benzenesulfonic acid), has been synthesized and structurally characterized. It belongs to the orthorhombic system, space group Pbcn with a = 19.950(3), b = 10.6381(13), c = 18.055(2)A, V= 3831.8(8) A3, Z = 4, C32H36CdN6010S4, Mr = 905.31, F(000) = 1848, μ= 0.850 mm^-1, Dc = 1.569 Mg/m^3, the final R = 0.0238 and wR = 0.0589 for 3080 observed reflections with I 〉 2σ(I). Complex I is a one-dimensional linear chain coordination polymer and the repeat unit is comprised of doubly charged cadmium complex cation, uncoordinated 4-aminobenzene sulfonate anions and water molecules. The cadmium(H) ion adopts a six-coordinate distorted octahedral geometry. Complex 1 is stabilized and linked into a three-dimensional layered structure through intermolecular O-H…O and N-H…O hydrogen bonds together with electrostatic force. The cyclic voltammograms and fluorescence spectrum of 1 were also measured. It shows one irreversible redox process and emits a very strong and sharp fluorescent band at about 341 nm.  相似文献   

3.
A new three-dimensional coordination polymer [Mn(2,3-pdc)(H20)]n (2,3-pdc = pyridine-2,3-dicarboxylate) 1 has been hydrothermally synthesized and structurally characterized. The crystal belongs to the monoclinic system, space group P21/c with a = 6.4168(5), b = 10.7939(9), c = 11.1549(10) A, β = 94.733(4)°, V = 769.98(11) A3, Z = 4, Mr = 238.06, De = 2.054 g/cm3, μ(MoKa) = 1.707 mm-1, F(000) = 476, Rint = 0.0326; R = 0.0499 and wR = 0.1636 for 1564 observed reflections with I 〉 2σ(I). X-ray diffraction analyses reveal that the title compound is a three-dimensional coordination polymer consisting of one MnⅡ center with a distorted octahedral environment arranged by four 2,3-pdc ligands and one water molecule.  相似文献   

4.
A new complex, [Cd(Himc)2(H2O)2] 1, obtained from imidazole-4-carboxylatic acid (H2imc) and Cd(ClO4)2·6H2O, has been synthesized. The crystal structure was determined by X-ray diffraction. The title compound crystallizes in the orthorhombic system, space group Pccn, with a = 7.4886(11), b = 11.9667(18), c = 13.550(2) A, V= 1214.3(3) A3, Z = 4, Mr= 370.60, Dc = 2.027 mg/m3, F(000) = 728,μ (MoKa) = 1.829 mm^-1, the final R = 0.0243 and wR = 0.0591 for 1150 unique reflections with I 〉 2σ(I). The cadmium(II) center in the title complex is coordinated with two oxygen and two nitrogen atoms from two bidentate chelated imidazole-4-carboxlate ligands together with two water molecules, giving a distorted octahedral coordination geometry. A one-dimensional hydrogen bonding chain is formed via intermolecular O-H...O hydrogen bonds, and such adjacent chains are further stacked through intermolecular π-π and hydrogen bonding interactions to form a 3D supramolecular framework. Complex 1 exhibits a fluorescent emission band at 290 nm (λex = 236 nm) in the solid state.  相似文献   

5.
A new cadmium coordination polymer,[Cd(C14H10N3O5)2(C5H5N)2]n,has been synthesized by the reaction of 2-hydroxy-N'-(4-nitrobenzoyl)benzohydraizide with cadmium acetate in pyridine and ethanol mixture solution.Its molecular structure was characterized by elemental analysis,IR spectra and X-ray crystal structure determination.Crystal data for this compound:tetragonal,space group I41/a,Mr=871.10,a=16.960(6),b=16.960(6),c=28.612(6) ,V= 8230(4)3,Z=8,Dc=1.406 g·m-3 and F(000)=3536.the final R=0.0326,wR=0.0847 for 2682 observed reflections with I 2σ(I) and R=0.0460,wR=0.0896 for all reflections.In the molecular structure of the complex,the cadmium atoms are coordinated to four N and two O atoms forming a slightly distorted octahedral geometry.The intermolecular hydrogen bonds link the neighboring molecules to form a coordination polymer which was then evaluated for its anti-tumor activities against two kinds of cell lines (K562 and BGC) by MTT method.A preliminary bioactivity study indicates that the complex has distinct inhibitory effect on K562 cell lines.  相似文献   

6.
The title compound, [Cu3(dmpzm)4(μ-1,3-dca)2(dca)4]·2H2O (dmpzm = 1,1'-methylenebis(3,5-dimethyl-lH-pyrazole), dca = dicyanamide) 1·2H2O, was synthesized via the reaction of CuCl2·2H2O with dmpzm and Na(dca), and characterized by elemental analysis and IR spectra. 1·2H2O crystallizes in the monoclinic system, space group C2/m with a = 13.578(3), b = 16.769(3), c = 14.769(3) A, β = 104.10(3)° V = 3261.4(11) A^3, Z = 2, Dc = 1.466 g/cm^3, T = 153(2) K, C56H68N34O2Cu3, Mr = 1440.09, F(000) = 1490,μ(MoKa) = 1.040 mm^-1, S = 1.150, R = 0.0553 and wR = 0.1123 for 2744 observed reflections with I 〉 2σ(I). The central copper atom is chelated by two dmpzm ligands and coordinated by two bridging dca anions, forming a slightly distorted octahedral geometry. The two external copper atoms adopt a square-pyramidal coordination geometry, coordinated by one chelating dmpzm ligand and one bridging and two terminal dca anions. Two intermolecular hydrogen bonding interactions result in the formation of a 2D (4,4) hydrogen-bonded network.  相似文献   

7.
Two complexes CuLCl(H2O) 1 and Ni(L)2 2 (HL = 2-carboxy-1,10-phenanthroline) have been synthesized and characterized by single-crystal X-ray crystallography. The structure of 1 has a monoclinic space group P21/n with a = 7.985(2), b = 16.067(3), c = 9.694(2) A, β = 98.189(30)°, V= 1231.0(4) A^3, Z = 4, Dc = 1.836 g/cm^3,μ =1.998 mm^-1, F(000) = 684, the final R = 0.0301 and wR = 0.0810. The structure of 2 (C26H14N4NiO10) adopts an orthorhombic system, space group Pbea with a = 9.410(2), b = 23.2410(5), c = 23.8680(5) A, V = 5219.9(18) A^3, Z = 8, Mr = 601.12, Dc = 1,530 g/cm^3,μ = 0.809 mm^-1, F(000) = 2448, the final R = 0.0448 and wR = 0.1427. The Cu center of complex 1 exhibits a square pyramidal coordination environment with one oxygen and two nitrogen atoms from deprotonated 2-carboxy-1,10-phenanthroline, one oxygen atom from water and one chloride ion. The Ni center of complex 2 assumes a distorted octahedral coordination geometry consisting of two oxygen atoms and four nitrogen atoms of two deprotonated 2-carboxy-1,10-phenanthroline molecules. Supramolecular assembly has been found via noncovalent bonds, such as hydrogen bonds and π-π stacking interactions.  相似文献   

8.
王永净  徐立 《结构化学》2008,27(3):297-300
A new bismuth compound Bi(Hsal)3(1,10-phenanthroline) (Hsal = O2CC6H4-2-OH) has been synthesized and characterized by single-crystal X-ray diffraction. It crystallizes in the triclinic system, space group P1, with a = 10.243(2), b = 11.905(3), c = 12.934(3) A, α= 76.780(6), β= 68.683(6),γ= 80.930(7)°, V = 1425.6(5) A^3, Dc = 1.865 g/cm^3, Mr = 800.51, F(000) = 780, μ= 6.247 mm^-1, Z = 2, R = 0.0456 and wR = 0.1131 for 5612 observed reflections (I 〉 2σ(I)). In this compound, three salicylate ligands coordinate to the Bi atom through the carboxylate groups to form a four-membered chelate ring, and phenanthroline ligand chelates the metal through two N atoms. The structure of the title compound manifests a possible coordination mode between bismuth subsalicylate and N atom containing amino acid in the biological system.  相似文献   

9.
The title compound [Cu(HSSA)(py)3H2O]n (H3SSA = 5-sulfosalicylic acid, py = pyridine) I has been synthesized and structurally determined by single-crystal X-ray diffraction. I was further characterized by elemental analyses, thermogravimetric analyses, IR and UV-visible spectroscopy. The crystal belongs to the monoclinic system, space group P21/c with a = 9.4564(10), b = 18.2679(19), c = 15.7284(12) A,β= 126.045(4)°, V= 2196.9(4)A^3, Z= 4, Dc = 1.618 g/cm^3, Mr = 535.02,μ = 1.141 mm^-1, F(000) = 1100, 2(MoKα) = 0.71073 A, the final R = 0.0429 and wR = 0.1044 for all observed reflections. In the structure, every two Cu(II) atoms are bridged by a bivalent 5-sulfosalicylic anion to form a 1D chain-like coordination polymer. Lattice waters between chains link them to form 2D layers which are further linked by C-H…O hydrogen bonds to form a three-dimensional supramolecular network.  相似文献   

10.
The title compound, Co(L)2(CH3OH)2Cl2 (L = 3-(1,2,4-triazole-yl)-6-chloro-pyridazine) 1, has been synthesized and its crystal structure has been determined by X-ray analysis. Complex 1 crystallizes in the triclinic system, space group P1 with a = 6.018(3), b = 9.832(5), c = 9.921(5)A, a = 78.270(8), β = 74.550(8), γ = 83.807(8)°, V = 553.1(5)A^3, Z = 1, C14H16Cl4CoN10O2, Mr = 557.10, Dc = 1.673 g/cm^3, F(000) = 281,μ(MoKα) = 1.293 mm^-1, the final R = 0.0453 and wR = 0.1181 for 1539 observed reflections with I 〉 2σ(I). The Co(II) ion is in a distorted centrosymmetric six-coordinate octahedral environment with two Ntriazole, two Omethanol and two Cl atoms. Via hydrogen bonds the configuration of 1 has been extended into 1D chains which are developed to 2D layers via π-π sticking action, and these layers are further extended into a 3D network by hydrogen bonds. The antibacterial activity of the title compound has been detected, and the results show that the ligands and cobalt(II) complex exhibit certain fungicidal activity against several bacteria. Furthermore, the spectral properties of the title compound have been also studied and discussed.  相似文献   

11.
A novel cadmium(Ⅱ) coordination polymer {[Cd(1,5-nds)(Him)2(H2O)]·2H2O}n (1,5-nds = naphthalene-1,5-disulfonate and Him = imidazole) was synthesized based on the reaction of cadmium oxide and 1,5-naphthalenedisulfonic acid firstly, and then mixed with imidazole in methanol medium. Its structure was characterized by elemental analysis, IR and TGA, respectively. The crystal structure was determined by single-crystal X-ray diffraction. The crystal belongs to the triclinic system, space group P1, with a = 8.5420(10), b = 10.2570(10), c = 13.361(2) A, α = 100.704 (2), β = 100.195(2), γ = 108.873(3)°, C16H20Cd N4O9S2, Mr= 588.91, V = 1.0524(2) nm^3, Dc = 1.858 g/cm^3, Z = 2, F(000) = 592, β^ = 1.294 mm-1, R = 0.0397 and wR = 0.1007 for 3180 observed reflections (Ⅰ〉 2σ(Ⅰ)). Structural analysis shows that the cadmiun atom is coordinated with four oxygen atoms from three 1,5-nds and one water molecule together with two nitrogen atoms from two imidazoles, giving a distorted octahedral coordination geometry. The molecules are linked to form a two-dimensional coordination polymer based on bridging ligands of naphthalene- 1,5-disulfonate anions, the sheets of which are then interacted via hydrogen bonds, leading to a three-dimensional network structure.  相似文献   

12.
A novel coordination polymer [Sm(4-Pyta)3(H2O)2]n has been synthesized by the hydrothermal reaction between 4-Pyta (4-Pyta = 4-pyridylthioacetate) and Sm(NO3)3. The structure was characterized by elemental analysis, IR spectra and single-crystal X-ray diffraction. The crystal belongs to the triclinic system, space groupP1, with a = 9.100(2), b = 11.842(3), c = 12.183(3) A, α= 79.781(4), β= 74.124(4), γ = 841882(5)^o, V = 1241.6(5) A^3, Z = 2, Mr = 690.95, Dc = 1.84806 g/cm^3, F(000) = 686,μ = 2.669 mm^-1, the final R = 0.0388 and wR = 0.0808 for 4149 observed reflections with I 〉 2σ(I). The structural analysis shows that the complex exhibits a one-dimensional architecture. Intermolecular hydrogen bonding interactions are found in the complex molecules.  相似文献   

13.
The compound [Cd(phen)(NCS)(SCN)]n(phen = 1,10-phenanthroline) was synthe- sized under hydrothermal conditions and characterized by IR and single-crystal X-ray diffraction. The complex is of monoclinic, space group C2/c with a = 14.607(3), b = 10.505(2), c = 10.631(2)A,β = 115.14(3)^o, V = 1476.8(5)A^3, C14H8CdN4S2, Mr = 408.76, Z = 4, F(000) = 800, μ = 1.757 mm^-1 and Dc = 1.839 g/cm^3. The final R = 0.0409 and wR = 0.0811 for 1367 observed reflections (I 〉 2σ(I)). In the title compound, each cadmium atom is six-coordinated and connected with two adjacent metal ions by two NCS bridges, creating a zigzag chain. The neighboring chains are linked to each other by the weak van der Waals' S…S interactions and π…π interactions to form a new three-dimensional supramolecular framework.  相似文献   

14.
The new cadmium(II) coordination polymer [Cd(bte)2(dca)2]n 1 (bte = 1,2-bis(1,2,4- triazol-1-yl)ethane, dca = dicyanamide) was synthesized and characterized by single-crystal X-ray diffraction. The crystal is of monoclinic, space group P21/n with a = 8.7148(15), b = 8.6142(17), c = 15.204(3) A, β = 92.100(10)o, V = 1140.6(4) A3, Z = 2, Mr = 572.87, Dc = 1.668 g/cm3, F(000) = 572, μ = 1.004 mm-1, the final R = 0.0654 and wR = 0.1429 for 1737 observed reflections (I > 2σ(I)). The cadmium atom is coordinated equatorially by four nitrogen atoms from four bte ligands and axially by two nitrogen atoms from two dca anions to adopt a distorted octahedral geometry. Each bte molecule bridges two cadmium(II) atoms. Two strands of bte molecules are wrapped around each other, and held together by cadmium(II) atoms. 1 Forms a double chain structure containing eighteen-membered Cd2(bte)2 rings.  相似文献   

15.
A new metal-organic coordination polymer [Cd(5-hip)(phen)]n·nH2O 1 has been hydro- ermally synthesized and characterized by elemental analysis, IR, TG and single-crystal X-ray diffraction. The crystal of the complex crystallizes in monoclinic, space group P2/n with a = 8.8071(17), b =12.386(2), c = 16.981(3) A, β = 100.182(2)°, V = 1823.2(6) A^3, Mr=. 490.73, Dc =1.788 g/cm^3,μ(MoKa) = 1.240 mm^-1, F(000) = 976, Z= 4, the final R = 0.0458 and wR = 0.1373 for 2864 observed reflections (I 〉 2σ(I)). The Cd atoms are coordinated by two N atoms from the phen ligands and four O atoms from 5-hydroxyisophthalate ligands in a highly distorted octahedral geometry.  相似文献   

16.
One-pot solvothermal reaction of Iransition metal Znn salt with 4,4-bipyddyl (bpy) and 1,4-benzenediacrylic add (H2L) in the presence of Et3N generates a three-dimensional (3-D) supramolecular network with 1-D cation metal-organic coordination polymer, [Zn(H20)a(bpy)]-L 1, and structurally characterized by single-crystal X-ray diffraction, elemental analyses, IR spectroscopy, and photoluminescent property. The complex crystallizes in triclinic, space group P1 with a = 7.1291(2), b = 7.3784(3), c = 10.5042(3)A, α = 95.049(2), β = 102.162(2), 7 = 97.027(3)0, V= 532.38(3)A3, C22H24N2O8Zn, Mr = 509.82, De= 1.590 g/cm3, p(MoKa)= 1.207 ram-l, F(000) = 264, Z = 1,the finalR=O.0438and wR=O.lOll for 1589 observed reflections (I 〉 2σ(I)). In the crystal structure, the second building unit composed of [Zn(H2O)4].L constructs two distinct 2-D supramolecular sheets and a neutral 3-D architecture. The title compound 1 shows strong photoluminescence with emission maximum at 2 = 455 nm upon λex.max = 355 nm.  相似文献   

17.
A new complex, [Ni(L)2]·2(H2O) I (HL = 2-iminomethyl-6-methoxyphenol), has been synthesized and structurally determined. The crystal belongs to the trigonal system, space group R3- with a = 1.9341 (3), b = 1.9341 (3), C = 1.2048(2) nm, V = 3.9029(11) nm^3, Mr = 395.05, Z = 9, Dc = 1.513 g·cm^-3, F(000) = 1854,μ= 1.153 mm^-1 and S = 1.014. Each Ni^Ⅱ atom is four-coordinated by two N and two O atoms from two different L anions to give a slightly distorted square-plane geometry. The complex forms a 3-D network structure through N-H...O and O-H...O hydrogen bonds containing an interesting six-membered water ring.  相似文献   

18.
杨燕  曾明华  张来军  梁宏 《结构化学》2009,28(7):785-788
A novel tetranuclear zinc(H) coordination polymer [Zn4(o-bda)a(p-pbim)4]n 1 (p-pbim = 4-pyridylbenzimidazole, o-bda2 = o-phenylenediacetic acid dianion) has been synthesized by a hydrothermal method and characterized by elemental analysis, IR and X-ray singlecrystal diffraction. The title complex crystallizes in monoclinic, space group of P21/n with α = 14.231(1), b = 16.257(1), c = 16.794(1) ]k, β = 100.26(1)°, V = 3823.1(2)A3, Z = 8, Dc = 1.573 g/cm^3,β = 1.321 mm^-1, F(000) = 1856, R = 0.0420 and wR = 0.111. The Zn(1) atom assumes a distorted trigonal bipyramidal geometry, involving three carboxyl O atoms from two different o-bda ligands and two N atoms from two p-pbim ligands. The Zn(2) atom is coordinated by two oxygens from two distinct bda2- anions and two nitrogen atoms from two p-pbim ligands to form a distorted tetrahedral geometry. The Zn(Ⅱ) atoms are alternately interlinked by o-bda ligands in bis-monodentate or chelating-bidentate and monodentate modes into one-dimensional undulate chains along axis c with the adjacent Zn…Zn distances of 8.32 and 8.47 A. Such neighboring chains are further extended into a 1D bi-chain structure with two different subrings A and B, which are 32- and 14-membered rings through interchain p-pbim ligands. There exists a 2D supramolecular network linked by intermolecular hydrogen-bonding interactions between the uncoordinated carboxylate 0(4) atom or coordinated carboxylate 0(7) atom and the uncoordinated imidazolyl N(2) and N(5) atoms with the O...N distances to be 2.695 and 2.807A.  相似文献   

19.
Compounds [Zn(2,2'-bipy)(L)Cl]2 1 and [Zn(phen)(L2)]2 2 (2,2'-bipy = 2,2'-bipyridine, HL = 3-methylbenzoic acid, phen = 1,10-phenanthroline) have been synthesized under hydrothermal conditions. 1: monoclinic, space group C2/c, a = 20.240(4), b = 9.2960(19), c = 17.904(4)A, β = 92.63(3)°, V = 3365.1(12) A^3, C36H30Cl2N4O4Zn2, Mr = 784.32, Z = 4, Dc = 1.548 g/cm^3, μ = 1.631 mm^-1, F(000) = 1600, the final R = 0.0367 and wR = 0.1289 for 3867 observed reflections (I 〉 2σ(I)). 2: monoclinic, space group C2/c, a = 23.035(5), b = 9.0395(18), c = 23.799(5) A, β = 98.55(3)°, V = 4900.6(17)A^3, C56H44N4O8Zn2, Mr = 1031.73, Z = 4, Dc = 1.398 g/cm^3, μ = 1.039 mm^-1, F(000) = 2128, the final R = 0.0540 and wR = 0.1287 for 5002 observed reflections (I 〉 2σ(I)). The two compounds have the same space group and similar isolated dinuclear structure, but different space packing structures are formed by different weak intermolecular interactions. Mo- reover, IR and luminescence spectra are also employed to study the crystal structures and pro- perties of these two compounds.  相似文献   

20.
The title compound [NdK(btec)(H2O)2]n 1 was synthesized via the hydrothermal reaction of Zn(OAc)E·H2O, Nd(NO3)3 and KOH with 1,2,4,5-benzenetetra-carboxylic acid (H4btec), and characterized by elemental analysis and infrared spectra. The crystal of 1 crystallizes in monoclinic, space group P21/c with a = 8.9023(3), b = 7.8954(1), c = 17.6249(5)A,β= 91.857(1)°, V= 1238.16(6)A^3, Z = 4, C10H6KNdO10, Mr= 469.49, Dc = 2.519 g/cm^3, F(000) = 900 andμ(MoKa) = 4.585 mm^-1. The final R = 0.0404 and wR = 0.0832 for 2197 observed reflections with I 〉 2σ(I) and R = 0.0431 and wR = 0.0854 for all data. X-ray diffraction reveals that the btec ligand serves as a μ16-bridging ligand to link the Nd(Ⅲ) and K(Ⅰ) atoms into a three-dimensional coordination polymer. Photoluminescent investigation shows that the title compound displays strong emission in the blue region, which may be attributed to an intraligand emission state.  相似文献   

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