Poly[diaqua-(μ(5)-1H-imidazole-4,5-di-carboxyl-ato)(μ(4)-1H-imidazole-4,5-di-carboxyl-ato)tris-ilver(I)ytterbium(III)].

The asymmetric unit of the title compound, [Ag(3)Yb(C(5)HN(2)O(4))(2)(H(2)O)(2)](n), contains three Ag(I) ions, one Yb(III) ion, two imidazole-4,5-dicarboxyl-ate ligands and two coordinating water mol-ecules. The Yb(III) atom is eight-coordinated, in a bicapped trigonal prismatic coordination geometry, by six O atoms from three imidazole-4,5-dicarboxyl-ate ligands and two coordinating water mol-ecules. The two-coordinated Ag(I) ions exhibit three types of coordination environments. One Ag(I) atom is bonded to two N atoms from two different imidazole-4,5-dicarboxyl-ate ligands. The other two Ag(I) atoms are each coordinated by one O atom and one N atom from two different imidazole-4,5-dicarboxyl-ate ligands. These metal coordination units are connected by bridging imidazole-4,5-dicarboxyl-ate ligands, generating a two-dimensional heterometallic layer. These layers are stacked along the a axis via O-H⋯O hydrogen-bonding inter-actions to generate a three-dimensional framework.

Related literature

For the application of lanthanide–transition n class="Chemical">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

[Ag3Yb(C5HN2O4)2(H2O)2]

M = 838.84

Monoclinic,

a = 12.6850 (7) Å

b = 8.6643 (5) Å

c = 28.4015 (16) Å

β = 97.686 (1)°

V = 3093.5 (3) Å3

Z = 8

Mo Kα radiation

μ = 9.80 mm−1

T = 295 K

0.20 × 0.18 × 0.17 mm

Data collection

Bruker APEXII CCD diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.162, T max = 0.189

7613 measured reflections

2794 independent reflections

2629 reflections with I > 2σ(I)

R int = 0.026

Refinement

R[F 2 > 2σ(F 2)] = 0.024

wR(F 2) = 0.055

S = 1.19

2794 reflections

265 parameters

4 restraints

H atoms treated by a mixture of independent and constrained refinement

Δρmax = 0.58 e Å−3

Δρmin = −1.29 e Å−3

Data collection: APEX2 (Bruker, 2004 ▶); cell refinement: 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.

Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S1600536812031303/rk2366sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536812031303/rk2366Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

[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

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)

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)

Table 1

Hydrogen-bond geometry (Å, °)

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) ; (ii) ; (iii) .