metal-organic compounds
Poly[diaqua(μ5-1H-imidazole-4,5-dicarboxylato)(μ4-1H-imidazole-4,5-dicarboxylato)trisilver(I)ytterbium(III)]
aSchool of Light Industry and Food Science, South China University of Technology, Guangzhou 510641, People's Republic of China
*Correspondence e-mail: simingzhu76@yahoo.com.cn
The 3Yb(C5HN2O4)2(H2O)2]n, contains three AgI ions, one YbIII ion, two imidazole-4,5-dicarboxylate ligands and two coordinating water molecules. The YbIII atom is eight-coordinated, in a bicapped trigonal prismatic coordination geometry, by six O atoms from three imidazole-4,5-dicarboxylate ligands and two coordinating water molecules. The two-coordinated AgI ions exhibit three types of coordination environments. One AgI atom is bonded to two N atoms from two different imidazole-4,5-dicarboxylate ligands. The other two AgI atoms are each coordinated by one O atom and one N atom from two different imidazole-4,5-dicarboxylate ligands. These metal coordination units are connected by bridging imidazole-4,5-dicarboxylate ligands, generating a two-dimensional heterometallic layer. These layers are stacked along the a axis via O—H⋯O hydrogen-bonding interactions to generate a three-dimensional framework.
of the title compound, [AgRelated literature
For the application of lanthanide–transition metal heterometallic complexes with bridging multifunctional organic ligands, see: Cheng et al. (2006); Kuang et al. (2007); Sun et al. (2006); Zhu et al. (2010).
Experimental
Crystal data
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Refinement
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Data collection: APEX2 (Bruker, 2004); cell SAINT (Bruker, 2004); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXL97.
Supporting information
https://doi.org/10.1107/S1600536812031303/rk2366sup1.cif
contains datablocks I, global. DOI:Structure factors: contains datablock I. DOI: https://doi.org/10.1107/S1600536812031303/rk2366Isup2.hkl
A mixture of AgNO3 (0.102 g, 0.6 mmol), Yb2O3 (0.118 g, 0.3 mmol), imidazole-4,5-dicarboxylic acid (0.188 g, 1.2 mmol), H2O (10 ml), and HClO4 (0.385 mmol) was sealed in a 20 ml teflon-lined reaction vessel at 443 K for 5 days then slowly cooled to room temperature. The product was collected by filtration, washed with water and air-dried. Colourless block crystals suitable for X-ray analysis were obtained.
H atoms bonded to C atoms were positioned geometrically and refined as riding, with C–H = 0.93Å and Uiso(H) = 1.2Ueq(C). H atoms of water molecules were found from difference Fourier maps and refined isotropically with a restraint of O–H = 0.82Å and Uiso(H) = 1.5Ueq(O).
In the past few years, lanthanide-transition metal heterometallic complexs with bridging multifunctionnal organic ligands are of increasing interest, not only because of their impressive topological structures, but also due to their versatile applications in ion exchange, magnetism, bimetallic catalysis and luminescent probe (Cheng et al., 2006; Kuang et al., 2007; Sun et al., 2006; Zhu et al., 2010). As an extension of this research, the structure of the title compound, a new heterometallic coordination polymer, has been determined which is presented in this artcle.
The
of the title compound (Fig. 1), contains three AgI ions, one YbIII ion, two imidazole-4,5-dicarboxylate ligands, and two coordinated water molecules. The YbIII are eight-coordinated, in a bicapped trigonal prismatic coordination geometry, by six O atoms from three imidazole-4,5-dicarboxylate ligands and two coordinated water molecules. The two-coordinated AgI ions exhibit three types of coordination environment. One AgI ion is linear bonded to two N atoms from two different imidazole-4,5-dicarboxylate ligands with N2iv-Ag3-N3 angle 176.23 (17)°. The other two AgI ions are coordinated in a bow-like conformation each by one O atom and one N atom from two different imidazole-4,5-dicarboxylate ligands with N-Ag-O angle 157.45 (14)° and 159.80 (14)°, respectively. These metal coordination units are connected by bridging imidazole-4,5-dicarboxylate ligands, generating a two-dimensional heterometallic layer. The two-dimensional layers are stacked along a axis via O–H···O hydrogen-bonding interactions to generate the three-dimensional framework (Table 1 and Fig. 2). Symmetry code: (iv) -x, y, -z+3/2.For the application of lanthanide–transition metal heterometallic complexes with bridging multifunctional organic ligands, see: Cheng et al. (2006); Kuang et al. (2007); Sun et al. (2006); Zhu et al. (2010).
Data collection: APEX2 (Bruker, 2004); cell
SAINT (Bruker, 2004); data reduction: SAINT (Bruker, 2004); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008).[Ag3Yb(C5HN2O4)2(H2O)2] | F(000) = 3080 |
Mr = 838.84 | Dx = 3.602 Mg m−3 |
Monoclinic, C2/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -C 2yc | Cell parameters from 4947 reflections |
a = 12.6850 (7) Å | θ = 2.9–28.1° |
b = 8.6643 (5) Å | µ = 9.80 mm−1 |
c = 28.4015 (16) Å | T = 295 K |
β = 97.686 (1)° | Block, colourless |
V = 3093.5 (3) Å3 | 0.20 × 0.18 × 0.17 mm |
Z = 8 |
Bruker APEXII CCD diffractometer | 2794 independent reflections |
Radiation source: fine-focus sealed tube | 2629 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.026 |
φ and ω scan | θmax = 25.2°, θmin = 1.5° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −13→15 |
Tmin = 0.162, Tmax = 0.189 | k = −10→8 |
7613 measured reflections | l = −34→34 |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.024 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.055 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.19 | w = 1/[σ2(Fo2) + (0.0213P)2 + 8.4063P] where P = (Fo2 + 2Fc2)/3 |
2794 reflections | (Δ/σ)max = 0.001 |
265 parameters | Δρmax = 0.58 e Å−3 |
4 restraints | Δρmin = −1.29 e Å−3 |
[Ag3Yb(C5HN2O4)2(H2O)2] | V = 3093.5 (3) Å3 |
Mr = 838.84 | Z = 8 |
Monoclinic, C2/c | Mo Kα radiation |
a = 12.6850 (7) Å | µ = 9.80 mm−1 |
b = 8.6643 (5) Å | T = 295 K |
c = 28.4015 (16) Å | 0.20 × 0.18 × 0.17 mm |
β = 97.686 (1)° |
Bruker APEXII CCD diffractometer | 2794 independent reflections |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | 2629 reflections with I > 2σ(I) |
Tmin = 0.162, Tmax = 0.189 | Rint = 0.026 |
7613 measured reflections |
R[F2 > 2σ(F2)] = 0.024 | 4 restraints |
wR(F2) = 0.055 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.19 | Δρmax = 0.58 e Å−3 |
2794 reflections | Δρmin = −1.29 e Å−3 |
265 parameters |
Geometry. All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell s.u.'s are taken into account individually in the estimation of s.u.'s in distances, angles and torsion angles; correlations between s.u.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell s.u.'s is used for estimating s.u.'s involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | ||
Yb1 | 0.062585 (17) | 0.17662 (3) | 0.534835 (7) | 0.01157 (8) | |
Ag1 | −0.08531 (4) | 0.52086 (5) | 0.638040 (16) | 0.02463 (12) | |
Ag2 | 0.18074 (4) | 0.78628 (5) | 0.663984 (15) | 0.02278 (12) | |
Ag3 | −0.12303 (3) | 0.14446 (5) | 0.739965 (13) | 0.02025 (11) | |
C1 | 0.1656 (4) | 0.4861 (6) | 0.59111 (17) | 0.0128 (11) | |
C2 | 0.1594 (4) | 0.4326 (6) | 0.64091 (16) | 0.0114 (10) | |
C3 | 0.1486 (4) | 0.4663 (6) | 0.71522 (17) | 0.0163 (11) | |
H3 | 0.1434 | 0.5143 | 0.7441 | 0.020* | |
C4 | 0.1601 (4) | 0.2898 (6) | 0.66262 (17) | 0.0119 (10) | |
C5 | 0.1733 (4) | 0.1266 (6) | 0.64641 (17) | 0.0120 (11) | |
C6 | −0.0760 (4) | 0.1879 (6) | 0.62733 (17) | 0.0121 (11) | |
C7 | −0.0744 (4) | 0.0214 (6) | 0.64145 (16) | 0.0124 (11) | |
C8 | −0.0872 (4) | −0.1680 (6) | 0.68906 (18) | 0.0173 (12) | |
H8 | −0.0933 | −0.2230 | 0.7167 | 0.021* | |
C9 | −0.0685 (4) | −0.1163 (6) | 0.61662 (17) | 0.0114 (10) | |
C10 | −0.0598 (4) | −0.1506 (6) | 0.56693 (17) | 0.0121 (11) | |
O1 | 0.1765 (3) | 0.6248 (4) | 0.58442 (12) | 0.0255 (10) | |
O2 | 0.1559 (3) | 0.3874 (4) | 0.55739 (12) | 0.0172 (8) | |
O3 | 0.1588 (3) | 0.0949 (4) | 0.60304 (12) | 0.0169 (8) | |
O4 | 0.1991 (3) | 0.0300 (4) | 0.67886 (12) | 0.0196 (8) | |
O5 | −0.1075 (3) | 0.2825 (4) | 0.65620 (13) | 0.0200 (8) | |
O6 | −0.0463 (3) | 0.2298 (4) | 0.58910 (12) | 0.0171 (8) | |
O7 | −0.0256 (3) | −0.0485 (4) | 0.54003 (11) | 0.0164 (8) | |
O8 | −0.0893 (3) | −0.2776 (4) | 0.54873 (12) | 0.0193 (8) | |
N1 | 0.1517 (3) | 0.5441 (5) | 0.67471 (14) | 0.0148 (9) | |
N2 | 0.1537 (4) | 0.3137 (5) | 0.71038 (14) | 0.0149 (9) | |
N3 | −0.0869 (3) | −0.0151 (5) | 0.68748 (14) | 0.0140 (9) | |
N4 | −0.0780 (3) | −0.2366 (5) | 0.64767 (14) | 0.0142 (9) | |
O1W | 0.2245 (3) | 0.0680 (5) | 0.51848 (13) | 0.0221 (9) | |
H1W | 0.275 (4) | 0.079 (8) | 0.5390 (17) | 0.033* | |
H2W | 0.249 (5) | 0.075 (8) | 0.4936 (13) | 0.033* | |
O2W | −0.0917 (4) | 0.2942 (6) | 0.50178 (14) | 0.0347 (11) | |
H4W | −0.130 (5) | 0.298 (9) | 0.4768 (15) | 0.052* | |
H3W | −0.138 (5) | 0.331 (8) | 0.515 (3) | 0.052* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Yb1 | 0.01795 (13) | 0.01015 (13) | 0.00699 (12) | −0.00344 (9) | 0.00307 (8) | −0.00139 (8) |
Ag1 | 0.0334 (3) | 0.0086 (2) | 0.0326 (3) | −0.00032 (18) | 0.00726 (19) | 0.00049 (18) |
Ag2 | 0.0308 (3) | 0.0085 (2) | 0.0290 (2) | −0.00071 (17) | 0.00390 (19) | −0.00148 (17) |
Ag3 | 0.0304 (3) | 0.0191 (2) | 0.0125 (2) | 0.00166 (18) | 0.00737 (17) | −0.00609 (16) |
C1 | 0.015 (3) | 0.010 (3) | 0.012 (2) | −0.003 (2) | −0.001 (2) | 0.001 (2) |
C2 | 0.015 (3) | 0.011 (3) | 0.008 (2) | 0.001 (2) | 0.0039 (19) | 0.000 (2) |
C3 | 0.027 (3) | 0.015 (3) | 0.008 (2) | 0.002 (2) | 0.007 (2) | −0.003 (2) |
C4 | 0.020 (3) | 0.008 (3) | 0.009 (2) | −0.002 (2) | 0.004 (2) | −0.0018 (19) |
C5 | 0.010 (2) | 0.012 (3) | 0.014 (3) | −0.002 (2) | 0.0024 (19) | −0.001 (2) |
C6 | 0.016 (3) | 0.010 (3) | 0.010 (2) | −0.002 (2) | 0.001 (2) | −0.001 (2) |
C7 | 0.018 (3) | 0.011 (3) | 0.008 (2) | 0.003 (2) | 0.0023 (19) | −0.0003 (19) |
C8 | 0.026 (3) | 0.012 (3) | 0.015 (3) | 0.000 (2) | 0.009 (2) | 0.003 (2) |
C9 | 0.012 (3) | 0.008 (3) | 0.015 (2) | −0.003 (2) | 0.004 (2) | 0.002 (2) |
C10 | 0.011 (3) | 0.011 (3) | 0.013 (2) | −0.001 (2) | −0.001 (2) | 0.001 (2) |
O1 | 0.052 (3) | 0.010 (2) | 0.0124 (19) | −0.0062 (18) | −0.0007 (18) | 0.0020 (15) |
O2 | 0.030 (2) | 0.014 (2) | 0.0091 (17) | −0.0080 (16) | 0.0047 (15) | −0.0025 (15) |
O3 | 0.026 (2) | 0.015 (2) | 0.0093 (17) | 0.0017 (16) | 0.0018 (14) | −0.0024 (15) |
O4 | 0.039 (2) | 0.0067 (19) | 0.0121 (18) | 0.0035 (17) | 0.0004 (16) | −0.0005 (15) |
O5 | 0.035 (2) | 0.009 (2) | 0.0194 (19) | 0.0001 (16) | 0.0143 (17) | −0.0007 (16) |
O6 | 0.026 (2) | 0.014 (2) | 0.0124 (18) | −0.0004 (16) | 0.0070 (15) | 0.0023 (15) |
O7 | 0.026 (2) | 0.015 (2) | 0.0091 (17) | −0.0094 (16) | 0.0056 (15) | −0.0020 (15) |
O8 | 0.029 (2) | 0.013 (2) | 0.0175 (19) | −0.0060 (16) | 0.0063 (16) | −0.0095 (16) |
N1 | 0.022 (2) | 0.011 (2) | 0.011 (2) | −0.0014 (19) | 0.0023 (17) | −0.0002 (18) |
N2 | 0.024 (2) | 0.013 (2) | 0.008 (2) | −0.0016 (18) | 0.0048 (17) | −0.0012 (17) |
N3 | 0.023 (2) | 0.010 (2) | 0.010 (2) | 0.0014 (18) | 0.0071 (18) | 0.0000 (17) |
N4 | 0.022 (2) | 0.007 (2) | 0.015 (2) | 0.0018 (18) | 0.0071 (18) | 0.0032 (17) |
O1W | 0.019 (2) | 0.032 (2) | 0.015 (2) | −0.0022 (18) | 0.0042 (15) | −0.0015 (18) |
O2W | 0.039 (3) | 0.052 (3) | 0.014 (2) | 0.024 (2) | 0.0048 (18) | 0.008 (2) |
Yb1—O2 | 2.224 (4) | C4—N2 | 1.385 (6) |
Yb1—O6 | 2.251 (3) | C4—C5 | 1.504 (7) |
Yb1—O3 | 2.261 (3) | C5—O3 | 1.251 (6) |
Yb1—O7 | 2.263 (3) | C5—O4 | 1.255 (6) |
Yb1—O2W | 2.293 (4) | C6—O6 | 1.249 (6) |
Yb1—O1W | 2.361 (4) | C6—O5 | 1.262 (6) |
Yb1—O7i | 2.389 (3) | C6—C7 | 1.496 (7) |
Yb1—O8i | 2.594 (4) | C7—N3 | 1.375 (6) |
Yb1—C10i | 2.895 (5) | C7—C9 | 1.393 (7) |
Yb1—Yb1i | 3.8682 (5) | C8—N3 | 1.326 (7) |
Ag1—N4ii | 2.119 (4) | C8—N4 | 1.336 (7) |
Ag1—O5 | 2.157 (4) | C8—H8 | 0.9300 |
Ag2—N1 | 2.159 (4) | C9—N4 | 1.381 (6) |
Ag2—O4ii | 2.160 (4) | C9—C10 | 1.461 (7) |
Ag2—Ag3iii | 3.3055 (6) | C10—O8 | 1.251 (6) |
Ag3—N2iv | 2.107 (4) | C10—O7 | 1.283 (6) |
Ag3—N3 | 2.127 (4) | C10—Yb1i | 2.895 (5) |
Ag3—Ag3iv | 3.0969 (9) | O4—Ag2vi | 2.160 (3) |
Ag3—Ag2v | 3.3055 (6) | O7—Yb1i | 2.389 (3) |
C1—O1 | 1.228 (6) | O8—Yb1i | 2.594 (4) |
C1—O2 | 1.277 (6) | N2—Ag3iv | 2.107 (4) |
C1—C2 | 1.500 (7) | N4—Ag1vi | 2.119 (4) |
C2—N1 | 1.375 (6) | O1W—H1W | 0.82 (2) |
C2—C4 | 1.382 (7) | O1W—H2W | 0.81 (2) |
C3—N2 | 1.331 (7) | O2W—H4W | 0.81 (2) |
C3—N1 | 1.339 (7) | O2W—H3W | 0.81 (2) |
C3—H3 | 0.9300 | ||
O2—Yb1—O6 | 89.21 (13) | N1—C2—C4 | 108.3 (4) |
O2—Yb1—O3 | 78.74 (13) | N1—C2—C1 | 117.3 (4) |
O6—Yb1—O3 | 77.75 (13) | C4—C2—C1 | 134.4 (5) |
O2—Yb1—O7 | 159.69 (12) | N2—C3—N1 | 113.8 (4) |
O6—Yb1—O7 | 77.17 (13) | N2—C3—H3 | 123.1 |
O3—Yb1—O7 | 83.64 (13) | N1—C3—H3 | 123.1 |
O2—Yb1—O2W | 98.34 (17) | C2—C4—N2 | 107.8 (4) |
O6—Yb1—O2W | 67.73 (13) | C2—C4—C5 | 134.4 (4) |
O3—Yb1—O2W | 145.43 (14) | N2—C4—C5 | 117.6 (4) |
O7—Yb1—O2W | 90.43 (17) | O3—C5—O4 | 124.5 (5) |
O2—Yb1—O1W | 86.59 (14) | O3—C5—C4 | 120.0 (4) |
O6—Yb1—O1W | 147.79 (13) | O4—C5—C4 | 115.5 (4) |
O3—Yb1—O1W | 70.10 (13) | O6—C6—O5 | 122.3 (5) |
O7—Yb1—O1W | 96.89 (14) | O6—C6—C7 | 121.2 (4) |
O2W—Yb1—O1W | 144.46 (13) | O5—C6—C7 | 116.5 (4) |
O2—Yb1—O7i | 132.22 (12) | N3—C7—C9 | 107.8 (4) |
O6—Yb1—O7i | 129.72 (12) | N3—C7—C6 | 118.5 (4) |
O3—Yb1—O7i | 129.53 (13) | C9—C7—C6 | 133.6 (4) |
O7—Yb1—O7i | 67.50 (13) | N3—C8—N4 | 114.5 (5) |
O2W—Yb1—O7i | 77.69 (15) | N3—C8—H8 | 122.8 |
O1W—Yb1—O7i | 73.28 (13) | N4—C8—H8 | 122.8 |
O2—Yb1—O8i | 81.79 (11) | N4—C9—C7 | 107.9 (4) |
O6—Yb1—O8i | 136.44 (12) | N4—C9—C10 | 119.2 (4) |
O3—Yb1—O8i | 140.18 (13) | C7—C9—C10 | 132.8 (4) |
O7—Yb1—O8i | 118.45 (11) | O8—C10—O7 | 117.8 (4) |
O2W—Yb1—O8i | 71.58 (14) | O8—C10—C9 | 121.4 (5) |
O1W—Yb1—O8i | 74.40 (13) | O7—C10—C9 | 120.7 (4) |
O7i—Yb1—O8i | 51.43 (11) | O8—C10—Yb1i | 63.6 (3) |
O2—Yb1—C10i | 106.65 (13) | O7—C10—Yb1i | 54.5 (2) |
O6—Yb1—C10i | 140.62 (13) | C9—C10—Yb1i | 171.2 (4) |
O3—Yb1—C10i | 139.85 (13) | C1—O2—Yb1 | 139.5 (3) |
O7—Yb1—C10i | 93.32 (13) | C5—O3—Yb1 | 140.0 (3) |
O2W—Yb1—C10i | 74.33 (14) | C5—O4—Ag2vi | 119.8 (3) |
O1W—Yb1—C10i | 70.57 (13) | C6—O5—Ag1 | 113.8 (3) |
O7i—Yb1—C10i | 25.90 (12) | C6—O6—Yb1 | 145.0 (3) |
O8i—Yb1—C10i | 25.60 (12) | C10—O7—Yb1 | 147.5 (3) |
O2—Yb1—Yb1i | 164.48 (9) | C10—O7—Yb1i | 99.6 (3) |
O6—Yb1—Yb1i | 105.35 (9) | Yb1—O7—Yb1i | 112.50 (13) |
O3—Yb1—Yb1i | 109.17 (9) | C10—O8—Yb1i | 90.8 (3) |
O7—Yb1—Yb1i | 34.79 (8) | C3—N1—C2 | 105.0 (4) |
O2W—Yb1—Yb1i | 82.69 (13) | C3—N1—Ag2 | 129.5 (4) |
O1W—Yb1—Yb1i | 83.82 (10) | C2—N1—Ag2 | 123.7 (3) |
O7i—Yb1—Yb1i | 32.71 (8) | C3—N2—C4 | 105.0 (4) |
O8i—Yb1—Yb1i | 83.89 (8) | C3—N2—Ag3iv | 127.3 (3) |
C10i—Yb1—Yb1i | 58.56 (10) | C4—N2—Ag3iv | 126.3 (3) |
N4ii—Ag1—O5 | 157.46 (14) | C8—N3—C7 | 105.3 (4) |
N1—Ag2—O4ii | 159.80 (14) | C8—N3—Ag3 | 128.6 (3) |
N1—Ag2—Ag3iii | 70.99 (11) | C7—N3—Ag3 | 125.5 (3) |
O4ii—Ag2—Ag3iii | 100.58 (10) | C8—N4—C9 | 104.6 (4) |
N2iv—Ag3—N3 | 176.23 (17) | C8—N4—Ag1vi | 123.2 (3) |
N2iv—Ag3—Ag3iv | 98.55 (12) | C9—N4—Ag1vi | 132.2 (3) |
N3—Ag3—Ag3iv | 79.79 (12) | Yb1—O1W—H1W | 116 (5) |
N2iv—Ag3—Ag2v | 89.30 (12) | Yb1—O1W—H2W | 126 (5) |
N3—Ag3—Ag2v | 89.89 (11) | H1W—O1W—H2W | 105 (6) |
Ag3iv—Ag3—Ag2v | 140.588 (19) | Yb1—O2W—H4W | 140 (6) |
O1—C1—O2 | 122.7 (5) | Yb1—O2W—H3W | 128 (6) |
O1—C1—C2 | 118.0 (5) | H4W—O2W—H3W | 90 (7) |
O2—C1—C2 | 119.2 (4) |
Symmetry codes: (i) −x, −y, −z+1; (ii) x, y+1, z; (iii) x+1/2, y+1/2, z; (iv) −x, y, −z+3/2; (v) x−1/2, y−1/2, z; (vi) x, y−1, z. |
D—H···A | D—H | H···A | D···A | D—H···A |
O1W—H1W···O8iii | 0.82 (2) | 2.11 (5) | 2.751 (5) | 136 (6) |
O1W—H2W···O2vii | 0.81 (2) | 2.03 (3) | 2.823 (5) | 165 (6) |
O2W—H4W···O1viii | 0.81 (2) | 1.88 (4) | 2.634 (5) | 154 (8) |
Symmetry codes: (iii) x+1/2, y+1/2, z; (vii) −x+1/2, −y+1/2, −z+1; (viii) −x, −y+1, −z+1. |
Experimental details
Crystal data | |
Chemical formula | [Ag3Yb(C5HN2O4)2(H2O)2] |
Mr | 838.84 |
Crystal system, space group | Monoclinic, C2/c |
Temperature (K) | 295 |
a, b, c (Å) | 12.6850 (7), 8.6643 (5), 28.4015 (16) |
β (°) | 97.686 (1) |
V (Å3) | 3093.5 (3) |
Z | 8 |
Radiation type | Mo Kα |
µ (mm−1) | 9.80 |
Crystal size (mm) | 0.20 × 0.18 × 0.17 |
Data collection | |
Diffractometer | Bruker APEXII CCD |
Absorption correction | Multi-scan (SADABS; Sheldrick, 1996) |
Tmin, Tmax | 0.162, 0.189 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 7613, 2794, 2629 |
Rint | 0.026 |
(sin θ/λ)max (Å−1) | 0.599 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.024, 0.055, 1.19 |
No. of reflections | 2794 |
No. of parameters | 265 |
No. of restraints | 4 |
H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
Δρmax, Δρmin (e Å−3) | 0.58, −1.29 |
Computer programs: APEX2 (Bruker, 2004), SAINT (Bruker, 2004), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).
D—H···A | D—H | H···A | D···A | D—H···A |
O1W—H1W···O8i | 0.82 (2) | 2.11 (5) | 2.751 (5) | 136 (6) |
O1W—H2W···O2ii | 0.81 (2) | 2.03 (3) | 2.823 (5) | 165 (6) |
O2W—H4W···O1iii | 0.81 (2) | 1.88 (4) | 2.634 (5) | 154 (8) |
Symmetry codes: (i) x+1/2, y+1/2, z; (ii) −x+1/2, −y+1/2, −z+1; (iii) −x, −y+1, −z+1. |
Acknowledgements
This work was supported by the Fundamental Research Funds for the Central Universities of South China University of Technology (grant No. 2012ZM0072).
References
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This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
In the past few years, lanthanide-transition metal heterometallic complexs with bridging multifunctionnal organic ligands are of increasing interest, not only because of their impressive topological structures, but also due to their versatile applications in ion exchange, magnetism, bimetallic catalysis and luminescent probe (Cheng et al., 2006; Kuang et al., 2007; Sun et al., 2006; Zhu et al., 2010). As an extension of this research, the structure of the title compound, a new heterometallic coordination polymer, has been determined which is presented in this artcle.
The asymmetric unit of the title compound (Fig. 1), contains three AgI ions, one YbIII ion, two imidazole-4,5-dicarboxylate ligands, and two coordinated water molecules. The YbIII are eight-coordinated, in a bicapped trigonal prismatic coordination geometry, by six O atoms from three imidazole-4,5-dicarboxylate ligands and two coordinated water molecules. The two-coordinated AgI ions exhibit three types of coordination environment. One AgI ion is linear bonded to two N atoms from two different imidazole-4,5-dicarboxylate ligands with N2iv-Ag3-N3 angle 176.23 (17)°. The other two AgI ions are coordinated in a bow-like conformation each by one O atom and one N atom from two different imidazole-4,5-dicarboxylate ligands with N-Ag-O angle 157.45 (14)° and 159.80 (14)°, respectively. These metal coordination units are connected by bridging imidazole-4,5-dicarboxylate ligands, generating a two-dimensional heterometallic layer. The two-dimensional layers are stacked along a axis via O–H···O hydrogen-bonding interactions to generate the three-dimensional framework (Table 1 and Fig. 2). Symmetry code: (iv) -x, y, -z+3/2.