Home Crystal structure of poly[aqua-ethylenediamine-tetraacetatolead(II)zinc(II)]
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Crystal structure of poly[aqua-ethylenediamine-tetraacetatolead(II)zinc(II)]

  • Rong-Hua Zhang , Dan Zhao EMAIL logo and Fa-Xue Ma
Published/Copyright: February 3, 2016

Abstract

C10H14N2O9PbZn, triclinic, P1̅ (no. 2), a = 7.4992(6) Å, b = 8.2890(7) Å, c = 11.8236(10) Å, α = 101.604(1)°, β = 106.540(1)°, γ = 98.931(1)°, V = 672.25(10) Å3, Z = 2, Rgt(F) = 0.019, wRref(F2) = 0.044, T = 296(2) K.

CCDC no.:: 1446251

The crystal structure is shown in the figure. Tables 13 contain details of the measurement method and a list of the atoms including atomic coordinates and displacement parameters.

Table 1

Data collection and handling.

Crystal:Colorless, prism
Size:0.050×0.050×0.200 mm
Wavelength:Mo Kα radiation (0.71073 Å)
μ:143.45 cm−1
Diffractometer, scan mode:Bruker smart APEX II CCD, ω scans
2θmax:56.59°
N(hkl)measured, N(hkl)unique:8308, 3290
N(param)refined:208
Programs:SHELX [7]
Table 2

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2).

AtomSitexyzUiso
H(2A)2i0.50590.53840.59220.024
H(2B)2i0.62900.68910.70460.024
H(3A)2i0.29980.36380.76430.021
H(3B)2i0.45790.35590.70170.021
H(5A)2i0.53590.78310.86310.022
H(5B)2i0.57950.61180.88790.022
H(6A)2i0.28910.54190.92140.023
H(6B)2i0.39920.72161.00760.023
H(7A)2i0.35010.96040.91520.026
H(7B)2i0.19960.95140.98410.026
H(10A)2i−0.08750.72890.87830.026
H(10B)2i0.03150.64030.96900.026
H(9A)2i−0.33720.18160.79160.069
H(9B)2i−0.53640.07390.73020.069
Table 3

Atomic displacement parameters (Å2).

AtomSitexyzU11U22U33U12U13U23
Pb(1)2i−0.17742(2)1.07232(2)0.60183(2)0.01834(7)0.02046(7)0.01884(7)0.00540(4)0.00700(5)0.00834(5)
Zn(1)2i0.09668(5)0.65477(4)0.65987(3)0.0158(2)0.0166(2)0.0150(2)0.0017(1)0.0049(1)0.0058(1)
C(1)2i0.4241(5)0.7591(4)0.5827(3)0.018(2)0.017(2)0.017(2)−0.001(1)0.004(1)0.002(1)
C(2)2i0.5000(5)0.6365(4)0.6504(3)0.021(2)0.021(2)0.022(2)0.006(1)0.011(1)0.008(1)
C(3)2i0.3420(5)0.3952(4)0.6999(3)0.019(2)0.013(1)0.019(2)0.003(1)0.004(1)0.006(1)
C(4)2i0.1896(4)0.3102(4)0.5778(3)0.015(1)0.015(1)0.018(2)0.003(1)0.009(1)0.003(1)
C(5)2i0.4786(4)0.6659(4)0.8538(3)0.014(1)0.020(2)0.016(2)0.001(1)0.001(1)0.001(1)
C(6)2i0.3365(5)0.6584(4)0.9230(3)0.020(2)0.024(2)0.016(2)0.008(1)0.004(1)0.009(1)
C(7)2i0.2177(5)0.9157(4)0.9056(3)0.023(2)0.019(2)0.019(2)0.005(1)0.002(1)0.001(1)
C(8)2i0.0886(5)0.9858(4)0.8124(3)0.025(2)0.021(2)0.023(2)0.008(1)0.011(1)0.008(1)
C(9)2i−0.0975(4)0.4824(4)0.7959(3)0.014(2)0.024(2)0.024(2)0.004(1)0.004(1)0.013(1)
C(10)2i0.0000(5)0.6539(4)0.8865(3)0.021(2)0.027(2)0.019(2)0.004(1)0.010(1)0.008(1)
O(1)2i0.5134(4)0.8145(3)0.5190(2)0.024(1)0.029(1)0.034(1)0.005(1)0.017(1)0.018(1)
O(2)2i0.2725(3)0.8030(3)0.5935(2)0.022(1)0.023(1)0.028(1)0.0083(9)0.013(1)0.014(1)
O(3)2i0.1281(3)0.3983(3)0.5085(2)0.021(1)0.019(1)0.019(1)0.0037(9)0.001(1)0.0050(9)
O(4)2i0.1328(3)0.1506(3)0.5580(2)0.021(1)0.015(1)0.023(1)−0.0004(9)0.011(1)0.0026(9)
O(5)2i−0.0602(3)0.4511(3)0.6967(2)0.023(1)0.023(1)0.020(1)−0.0012(9)0.006(1)0.006(1)
O(6)2i−0.2128(4)0.3880(3)0.8246(3)0.023(1)0.037(2)0.041(2)−0.002(1)0.011(1)0.021(1)
O(7)2i−0.0121(4)0.8795(3)0.7108(2)0.034(1)0.024(1)0.016(1)0.011(1)0.003(1)0.004(1)
O(8)2i0.0892(5)1.1379(3)0.8366(3)0.055(2)0.021(1)0.039(2)0.016(1)0.008(2)0.006(1)
O(9)2i−0.4051(6)0.0657(4)0.7786(3)0.073(2)0.032(2)0.051(2)−0.001(2)0.007(2)0.002(2)
N(1)2i0.3837(4)0.5804(3)0.7226(2)0.019(1)0.013(1)0.012(1)0.002(1)0.005(1)0.003(1)
N(2)2i0.1748(4)0.7305(3)0.8665(2)0.014(1)0.017(1)0.016(1)0.003(1)0.004(1)0.006(1)

Source of material

A mixture of ethylenediaminetetraacetic acid (H4EDTA) (0.1 mmol), ZnCl2 (0.1 mmol), PbCl2 (0.1 mmol), DMF (5 ml) and water (5 ml) whose pH value was adjusted to 4 by NaOH, was placed in a 30-mL Teflon-lined stainless steel autoclave. Then the autoclave was sealed, heated to 160 °C under autogenous pressure for 48 h. After slowly cooled to room temperature at a rate of 5 °C/h, a few colorless prismatic crystals were recovered by filtration, washed by distilled water, and air dried.

Discussion

In recent years, study of coordination polymers has gained great recognition as an important interface between synthetic chemistry and material science not only because of their fascinating topology and intriguing architectures, also due to their potential applications in magnetism, luminescence, ion exchange, electronic apparatus, and catalysis etc. [1–4]. The selection of suitable organic ligands are crucial for constructing extended coordination frameworks. As one of a fascinating ligands, ethylenediaminetetraacetic acid (H4EDTA) is selected as a cluster ligand for several reasons. On one hand, the EDTA ligand, as one of the most fascinating ligands, can act as a tetradentate, pentadentate or hexadentate ligand to form a six-coordinate octahedron, seven-coordinate distorted monocapped trigonal prism or pentagonal bipyramid [5, 6]. With the aim to understand the interesting chemistry, we studied its assembly reaction of H4EDTA with Zn (II) and Pb (II) ions under hydrothermal condition and afforded a new coordination polymer PbZn(EDTA)·H2O.

Structure solution revealed that there are one Pb2+ cation, one Zn2+ cation, one deprotonated EDTA ligand and one water molecule in the asymmetric unit of title structure. Each Zn(1) cation is 7-coordinated by five carboxylate oxygens and two amido nitrogen atoms from two EDTA ligands with the Zn–O bond distances ranging from 2.083(2) to 2.190(2) Å and the Zn–N bond distances is 2.272(3) and 2.291(3). The Pb(1) atom is nine-coordinated by eight carboxylate oxygen atoms from five different EDTA ligands and one water ligand to form a distorted pentagonal bipyramid (see the figure). With the Pb–O bond distances ranging from 2.499(2) to 3.054(2) Å. On the other hand, each EDTA ligand adopts μ7-coordination model, linking to five Pb2+ cations and two Zn2+ cations, in such a way to form the 3D framework.


Corresponding author: Dan Zhao, Department of Physics and Chemistry, Henan Polytechnic University, Jiaozuo, Henan 454000, People's Republic of China, e-mail:

References

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Received: 2015-4-6
Accepted: 2016-1-8
Published Online: 2016-2-3
Published in Print: 2016-3-1

©2016 Rong-Hua Zhang et al., published by De Gruyter.

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

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  76. Crystal structure of fac-tricarbonyl(2-(isopropylimino)methyl-5-methylphenolatido-κ2N,O)(pyridine-κN)rhenium(I), C19H19N2O4Re
  77. Crystal structure of 1,3,6,8-tetrakis(p-tolylthio)pyrene, C44H34S4
  78. Crystal structure of catena-poly-(diaqua-(μ2-1,2-bis(4-pyridyl)ethene-κ2N:N′)-(4-methylphthalato-κ2O,O′)-cobalt(II)trihydrate, C21H26CoN2O9
  79. Crystal structure of tetraethylammonium fac-tricarbonyl(hexafluoroacetylacetonato-κ2O,O′)-(nitrato-κO)rhenium(I), C16H21O8N2F6Re
  80. Crystal structure of 3-(thiophen-2-yl)-5-(p-tolyl)-4,5-dihydro-1H-pyrazole-1-carboxamide
  81. Crystal structure of bis(1-ethyl-3-methylimidazolium) tetrabromidocadmate(II), [C6H11N2]2[CdBr4]
  82. Crystal structure of N′-(adamantan-2-ylidene)-isonicotinohydrazide, C16H19N3O
  83. Crystal structure of trans-tetraaquabis(4-(pyridin-4-ylsulfonyl)pyridine-κN)cobalt(II) diperchlorate dihydrate, C20H28Cl2CoN4O18S2
  84. Crystal structure of (Z)-4-(furan-2-yl(p-tolylamino)methylene)-3-methyl-1-p-tolyl-1H-pyrazol-5(4H)-one, C23H21N3O2
  85. Crystal structure of 2-[(4-fluorobenzyl)sulfanyl]-4-(2-methylpropyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile, C16H16FN3OS
  86. Crystal structure of poly[octaaqua-tris(benzene-1,2,4,5-tetracarboxylato)tetralanthanum(III)] hexahydrate, C30H34La4O38
  87. Crystal structure of trans-tetraaqua-bis(4,4′-sulfonyldipyridine-κN)zinc(II) diperchlorate dihydrate, C20H28Cl2ZnN4O18S2
  88. Crystal structure of 4-nitro-thiophene-2-carboxylic acid, a structure with a Z′ = 4, C5H3NO4S
  89. Crystal structure of dirubidium trimercury(II) tetraselenide, Rb2Hg3Se4
  90. Crystal structure of 5-(adamantan-1-yl)-3-[(4-chloroanilino)methyl]-2,3-dihydro-1,3,4-oxadiazole-2-thione, C19H22ClN3OS
  91. Crystal structure of hexaaquamagnesium(II) 5,5′-bitetrazole-1,1′-diolate, C2H12N8O8Mg
  92. The crystal structure of catena-poly[(μ2-1,1′-benzene-1,4-diylbis(1H-benzimidazole-κ2N:N′)silver(I)] nitrate, C20H14N5AgO3
  93. The crystal structure of 1-(2-(4-chlorophenoxy)-4-chlorophenyl)ethanone, C14H10Cl2O2
  94. The crystal structure of 3,5-dinitro-1,3,5-oxadiazinane, C3H6N4O5
  95. Crystal structure of methyl 5-methoxy 1H-indole-2-carboxylate, C11H11NO3
  96. Crystal structure of (Z)-1-(((3-acetyl-2-hydroxyphenyl)amino)methylene)naphthalen-2(1H)-one, C19H15NO3
  97. Crystal structure of (Z)-5-(4-chlorobenzylidene)-2-thioxothiazolidin-4-one —dimethylsulfoxide (1:1), C12H12ClNO2S3
  98. Crystal structure of 5,5′-((4-(trifluoromethyl)phenyl)methylene)bis(1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione) – diethylamine – dichloromethane (1/1/1) C25H32Cl2F3N5O6
  99. Crystal structure of 2-(dimethylsulfanylidene)-N-(4-methoxyphenyl)-3-oxo-3-phenylpropanamide
  100. Crystal structure of (1,10-phenanthroline-κ2N,N′)bis(thiocyanato-κN)platinum(II), C14H8N4PtS2
  101. Crystal structure of di(μ2-chlorido)bis[2-(2-pyridyl)phenyl-κ2N,C1]dipalladium(II), C22H16Cl2N2Pd2
  102. Crystal structure of trans-dibromidodi(pyridine-κN)palladium(II), PdBr2(C5H5N)2
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