Poly[[μ2-acetato-aquadi-μ3-isonicotinato-erbium(III)silver(I)] perchlorate]

Zhu, L.-C.

doi:10.1107/S1600536809048429

metal-organic compounds

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ISSN: 2056-9890

Volume 65| Part 12| December 2009| Pages m1617-m1618

doi:10.1107/S1600536809048429

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Poly[[μ₂-acetato-aquadi-μ₃-isonicotinato-erbium(III)silver(I)] perchlorate]

Li-Cai Zhu ^a ^*

^aSchool of Chemistry and Environment, South China Normal University, Guangzhou 510631, People's Republic of China
^*Correspondence e-mail: licaizhu1977@yahoo.com.cn

(Received 4 November 2009; accepted 14 November 2009; online 21 November 2009)

In the title three-dimensional heterometallic complex, {[AgEr(C₆H₄NO₂)₂(C₂H₃O₂)(H₂O)]ClO₄}_n, the eight-coordinate Er^III ion adopts a distorted bicapped trigonal-prismatic geometry, being coordinated by four O atoms from four different isonicotinate ligands, three O atoms from two different acetate ligands and one O atom of the water molecule. The two-coordinate Ag^I ion is surrounded by two N atoms from two different isonicotinate anions in a slightly bent configuration. These building blocks are connected by bridging isonicotinate and acetate ligands, generating a three-dimensional network. Ths structure is consolidated by O—H⋯O hydrogen bonding between the coordinated water molecule and a carboxylate group of the acetate ligand. The perchlorate anion is disordered over two sites with site-occupancy factors of 0.526 (13) and 0.474 (13), while the methyl group of the acetate ligand is equally disordered over two sites.

Related literature

For background to lanthanide–transition metal heterometallic complexes, see: Cheng et al. (2006 ); Kuang et al. (2007 ); Peng et al. (2008 ); Zhu et al. (2009 ).

Experimental

Crystal data

[AgEr(C₆H₄NO₂)₂(C₂H₃O₂)(H₂O)]ClO₄
M_r = 695.84
Monoclinic, P 2₁ /c
a = 16.1952 (11) Å
b = 14.8673 (11) Å
c = 7.8938 (6) Å
β = 91.783 (1)°
V = 1899.7 (2) Å³
Z = 4
Mo Kα radiation
μ = 5.62 mm⁻¹
T = 296 K
0.23 × 0.20 × 0.19 mm

Data collection

Bruker APEXII area-detector diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ) T_min = 0.285, T_max = 0.344
9611 measured reflections
3423 independent reflections
3009 reflections with I > 2σ(I)
R_int = 0.030

Refinement

R[F² > 2σ(F²)] = 0.025
wR(F²) = 0.057
S = 1.05
3423 reflections
320 parameters
158 restraints
H atoms treated by a mixture of independent and constrained refinement
Δρ_max = 0.76 e Å⁻³
Δρ_min = −1.04 e Å⁻³

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1W—H2W⋯O4ⁱ	0.82 (4)	2.19 (3)	2.891 (5)	145 (5)
O1W—H1W⋯O6ⁱⁱ	0.81 (4)	1.99 (4)	2.786 (5)	167 (6)
Symmetry codes: (i) $[x, -y+{\script{3\over 2}}, z+{\script{1\over 2}}]$ ; (ii) $[x, -y+{\script{3\over 2}}, z-{\script{1\over 2}}]$ .

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: XP in SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXL97.

Supporting information

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536809048429/wm2280sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536809048429/wm2280Isup2.hkl

checkCIF report

Comment top

In the past few years, lanthanide-transition metal heterometallic complexes with bridging multifunctional organic ligands gained increasing interest, not only because of their crystal structures, but also due to their applications in ion exchange, magnetism, catalysis and as luminescent material (Cheng et al., 2006; Kuang et al., 2007; Peng et al., 2008; Zhu et al., 2009). As an extension of this research, the structure of the title compound, a new heterometallic coordination polymer, (I), has been determined and is presented in this article.

In the title compound (Fig. 1), there are one Er^III ion, one Ag^I ion, two halves of an acetate ligand, two isonicotinate ligands, one coordinated water molecule, and one perchlorate anion in the asymmetric unit. Each Er^III ion is eight-coordinated by four O atoms from four different isonicotinate ligands [Er—O distances ranging from 2.266 (3) to 2.308 (3) Å], three O atoms from two different acetate ligands [Er—O distances ranging from 2.341 (3) to 2.454 (3) Å], and one O atom of water molecule [Er—O distance 2.369 (3) Å]. The Er center can be described as having a distorted bicapped trigonal-prismatic coordination geometry. The two-coordinated Ag^I ion is bonded to two N atoms from two different isonicotinate anions [Ag—N distances 2.153 (4) and 2.154 (4) Å] and adopts a slight distortion from linearity with an N1—Ag1—N2 angle of 165.44 (19) °. These metal coordination units are connected by bridging isonicotinate and acetate ligands, generating a three-dimensional network (Fig. 2). The coordinated water molecules exhibit O—H···O hydrogen bonding to the uncoordinated O atom of a carboxylate group and to the acetate ligand (Table 1).

Related literature top

For background to lanthanide–transition metal heterometallic complexes, see: Cheng et al. (2006); Kuang et al. (2007); Peng et al. (2008); Zhu et al. (2009).

Experimental top

A mixture of AgNO₃ (0.057 g, 0.33 mmol), Er₂O₃ (0.116 g, 0.33 mmol), isonicotinic acid (0.164 g, 1.33 mmol), CH₃COONa (0.057 g, 0.7 mmol), H₂O (7 ml), and HClO₄ (0.257 mmol) (pH 2) was sealed in a 20 ml Teflon-lined reaction vessel at 443 K for 6 days and then slowly cooled to room temperature. The product was collected by filtration, washed with water and was air-dried. Colorless block-shaped crystals suitable for X-ray analysis were obtained.

Computing details top

Data collection: APEX2 (Bruker, 2004); cell refinement: 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: XP in SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008).

Figures top

	Fig. 1. The molecular structure showing the atomic-numbering scheme and displacement ellipsoids drawn at the 30% probability level. Both disorder components are shown. Symmetry codes: (A) 2 - x, 2 - y, -z; (B) x, 1.5 - y, 1/2 + z; (C) 1 - x, 1/2 + y, 0.5 - z; (D) 1 + x, 1.5 - y, -1/2 + z.
	Fig. 2. A view of the three-dimensional arrangement of the title compound. Hydrogen atoms were omitted for clarity.

Poly[[µ₂-acetato-aquadi-µ₃-isonicotinato-erbium(III)silver(I)] perchlorate] top

Crystal data top

[AgEr(C₆H₄NO₂)₂(C₂H₃O₂)(H₂O)]ClO₄	F(000) = 1324
M_r = 695.84	D_x = 2.433 Mg m⁻³
Monoclinic, P2₁/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 4797 reflections
a = 16.1952 (11) Å	θ = 2.5–27.9°
b = 14.8673 (11) Å	µ = 5.62 mm⁻¹
c = 7.8938 (6) Å	T = 296 K
β = 91.783 (1)°	Block, colourless
V = 1899.7 (2) Å³	0.23 × 0.20 × 0.19 mm
Z = 4

Data collection top

Bruker APEXII area-detector diffractometer	3423 independent reflections
Radiation source: fine-focus sealed tube	3009 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.030
ϕ and ω scan	θ_max = 25.2°, θ_min = 1.9°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −19→19
T_min = 0.285, T_max = 0.344	k = −17→17
9611 measured reflections	l = −5→9

Refinement top

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)] = 0.025	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.057	H atoms treated by a mixture of independent and constrained refinement
S = 1.05	w = 1/[σ²(F_o²) + (0.0218P)² + 3.7155P] where P = (F_o² + 2F_c²)/3
3423 reflections	(Δ/σ)_max = 0.002
320 parameters	Δρ_max = 0.76 e Å⁻³
158 restraints	Δρ_min = −1.04 e Å⁻³

Crystal data top

[AgEr(C₆H₄NO₂)₂(C₂H₃O₂)(H₂O)]ClO₄	V = 1899.7 (2) Å³
M_r = 695.84	Z = 4
Monoclinic, P2₁/c	Mo Kα radiation
a = 16.1952 (11) Å	µ = 5.62 mm⁻¹
b = 14.8673 (11) Å	T = 296 K
c = 7.8938 (6) Å	0.23 × 0.20 × 0.19 mm
β = 91.783 (1)°

Data collection top

Bruker APEXII area-detector diffractometer	3423 independent reflections
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	3009 reflections with I > 2σ(I)
T_min = 0.285, T_max = 0.344	R_int = 0.030
9611 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.025	158 restraints
wR(F²) = 0.057	H atoms treated by a mixture of independent and constrained refinement
S = 1.05	Δρ_max = 0.76 e Å⁻³
3423 reflections	Δρ_min = −1.04 e Å⁻³
320 parameters

Special details top

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'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.

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

	x	y	z	U_iso*/U_eq	Occ. (<1)
Er1	0.955305 (12)	0.883792 (13)	0.05025 (3)	0.01689 (8)
Ag1	0.47352 (3)	0.74056 (4)	0.10055 (8)	0.06366 (18)
N1	0.3573 (3)	0.6969 (3)	0.1973 (7)	0.0464 (13)
N2	0.5953 (3)	0.7481 (3)	−0.0007 (6)	0.0378 (11)
C1	0.1321 (3)	0.5802 (3)	0.3629 (7)	0.0287 (12)
C2	0.2108 (3)	0.6229 (3)	0.3048 (7)	0.0273 (11)
C3	0.2810 (3)	0.5718 (4)	0.2968 (8)	0.0427 (15)
H8	0.2800	0.5114	0.3271	0.051*
C4	0.3527 (4)	0.6105 (4)	0.2436 (9)	0.0523 (18)
H7	0.4000	0.5753	0.2397	0.063*
C5	0.2890 (3)	0.7466 (4)	0.2066 (9)	0.0455 (16)
H11	0.2914	0.8070	0.1767	0.055*
C6	0.2147 (3)	0.7121 (4)	0.2589 (8)	0.0378 (14)
H10	0.1681	0.7485	0.2630	0.045*
C7	0.6342 (3)	0.6716 (4)	−0.0395 (8)	0.0438 (15)
H4	0.6076	0.6171	−0.0221	0.053*
C8	0.7122 (3)	0.6709 (4)	−0.1041 (7)	0.0340 (13)
H3	0.7372	0.6167	−0.1315	0.041*
C9	0.7531 (3)	0.7512 (3)	−0.1281 (6)	0.0199 (10)
C10	0.8387 (3)	0.7511 (3)	−0.1972 (6)	0.0203 (10)
C11	0.7136 (3)	0.8299 (3)	−0.0871 (7)	0.0309 (12)
H6	0.7394	0.8851	−0.1018	0.037*
C12	0.6349 (3)	0.8258 (4)	−0.0237 (7)	0.0359 (13)
H5	0.6085	0.8792	0.0040	0.043*
O1	0.0753 (2)	0.6328 (2)	0.4074 (5)	0.0354 (9)
O2	0.1298 (2)	0.4963 (2)	0.3618 (5)	0.0369 (9)
O3	0.85978 (19)	0.6842 (2)	−0.2806 (4)	0.0276 (8)
O4	0.88366 (18)	0.8187 (2)	−0.1684 (4)	0.0237 (7)
O1W	0.9992 (2)	0.7323 (2)	0.0767 (5)	0.0327 (9)
H1W	1.017 (3)	0.702 (3)	0.001 (5)	0.049*
H2W	0.978 (3)	0.697 (3)	0.142 (5)	0.049*
O6	1.0346 (2)	0.8847 (2)	0.3130 (4)	0.0324 (8)
O5	1.0476 (2)	1.0034 (2)	0.1567 (4)	0.0289 (8)
C13	1.0687 (3)	0.9591 (3)	0.2875 (6)	0.0266 (11)
C14	1.1431 (13)	0.9863 (19)	0.395 (3)	0.040 (4)	0.51 (5)
H14A	1.1728	1.0327	0.3385	0.059*	0.51 (5)
H14B	1.1785	0.9351	0.4129	0.059*	0.51 (5)
H14C	1.1255	1.0082	0.5024	0.059*	0.51 (5)
C14'	1.1264 (15)	1.0028 (19)	0.417 (3)	0.040 (4)	0.49 (5)
H14D	1.1142	1.0659	0.4230	0.059*	0.49 (5)
H14E	1.1824	0.9947	0.3836	0.059*	0.49 (5)
H14F	1.1191	0.9756	0.5255	0.059*	0.49 (5)
Cl1	0.58069 (12)	0.04095 (12)	0.7436 (3)	0.0642 (5)	0.526 (13)
O7	0.5433 (10)	−0.0457 (8)	0.742 (2)	0.076 (5)	0.526 (13)
O8	0.5249 (9)	0.1082 (9)	0.709 (2)	0.133 (6)	0.526 (13)
O9	0.6203 (10)	0.0528 (9)	0.9021 (14)	0.109 (6)	0.526 (13)
O10	0.6454 (9)	0.0386 (10)	0.6206 (19)	0.134 (7)	0.526 (13)
Cl1'	0.58069 (12)	0.04095 (12)	0.7436 (3)	0.0642 (5)	0.474 (13)
O7'	0.5399 (11)	−0.0369 (9)	0.691 (2)	0.083 (7)	0.474 (13)
O8'	0.5676 (11)	0.1101 (10)	0.6227 (19)	0.124 (7)	0.474 (13)
O9'	0.5422 (11)	0.0751 (11)	0.8943 (18)	0.134 (7)	0.474 (13)
O10'	0.6643 (6)	0.0289 (8)	0.778 (2)	0.092 (5)	0.474 (13)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Er1	0.01467 (12)	0.01458 (12)	0.02167 (13)	−0.00074 (8)	0.00453 (8)	0.00002 (8)
Ag1	0.0248 (2)	0.0863 (4)	0.0813 (4)	−0.0136 (2)	0.0248 (3)	0.0023 (3)
N1	0.025 (2)	0.047 (3)	0.067 (4)	−0.007 (2)	0.017 (2)	0.000 (3)
N2	0.021 (2)	0.045 (3)	0.048 (3)	−0.003 (2)	0.013 (2)	0.000 (2)
C1	0.028 (3)	0.020 (3)	0.039 (3)	−0.005 (2)	0.012 (2)	−0.003 (2)
C2	0.024 (3)	0.028 (3)	0.031 (3)	−0.005 (2)	0.009 (2)	−0.003 (2)
C3	0.025 (3)	0.029 (3)	0.075 (5)	0.002 (2)	0.015 (3)	0.001 (3)
C4	0.026 (3)	0.048 (4)	0.084 (5)	0.004 (3)	0.017 (3)	0.000 (3)
C5	0.031 (3)	0.036 (3)	0.071 (5)	−0.009 (3)	0.016 (3)	0.009 (3)
C6	0.027 (3)	0.030 (3)	0.058 (4)	−0.001 (2)	0.015 (3)	0.005 (3)
C7	0.035 (3)	0.036 (3)	0.061 (4)	−0.016 (3)	0.012 (3)	0.002 (3)
C8	0.029 (3)	0.026 (3)	0.048 (4)	−0.003 (2)	0.012 (3)	−0.001 (2)
C9	0.016 (2)	0.023 (3)	0.020 (3)	−0.0031 (19)	0.0016 (19)	−0.0025 (19)
C10	0.018 (2)	0.023 (3)	0.021 (3)	0.0015 (19)	0.0023 (19)	0.002 (2)
C11	0.021 (2)	0.026 (3)	0.046 (3)	−0.004 (2)	0.010 (2)	−0.001 (2)
C12	0.026 (3)	0.035 (3)	0.047 (4)	0.007 (2)	0.012 (3)	0.002 (3)
O1	0.0258 (19)	0.0208 (19)	0.061 (3)	−0.0007 (15)	0.0249 (19)	0.0012 (16)
O2	0.0296 (19)	0.0196 (19)	0.063 (3)	−0.0016 (15)	0.0227 (18)	−0.0038 (17)
O3	0.0246 (17)	0.0214 (18)	0.037 (2)	−0.0021 (14)	0.0110 (16)	−0.0082 (15)
O4	0.0179 (16)	0.0250 (18)	0.0283 (19)	−0.0051 (14)	0.0042 (14)	−0.0058 (14)
O1W	0.045 (2)	0.0204 (18)	0.034 (2)	0.0068 (16)	0.0164 (18)	0.0022 (15)
O6	0.039 (2)	0.033 (2)	0.025 (2)	−0.0065 (16)	−0.0043 (16)	0.0089 (15)
O5	0.0335 (19)	0.0248 (18)	0.028 (2)	−0.0076 (15)	−0.0089 (16)	0.0043 (15)
C13	0.030 (3)	0.023 (3)	0.027 (3)	−0.001 (2)	−0.001 (2)	0.000 (2)
C14	0.038 (6)	0.042 (6)	0.037 (5)	−0.003 (5)	−0.011 (5)	0.000 (4)
C14'	0.038 (6)	0.042 (6)	0.037 (5)	−0.003 (5)	−0.011 (5)	0.000 (4)
Cl1	0.0638 (11)	0.0528 (10)	0.0756 (13)	0.0017 (9)	−0.0046 (10)	−0.0013 (9)
O7	0.071 (8)	0.070 (8)	0.089 (9)	−0.025 (6)	0.001 (6)	−0.009 (6)
O8	0.140 (10)	0.104 (9)	0.153 (11)	0.074 (7)	−0.032 (8)	−0.019 (7)
O9	0.134 (10)	0.110 (8)	0.081 (8)	−0.042 (7)	−0.036 (7)	0.001 (6)
O10	0.133 (10)	0.143 (10)	0.130 (10)	−0.033 (8)	0.052 (8)	−0.008 (8)
Cl1'	0.0638 (11)	0.0528 (10)	0.0756 (13)	0.0017 (9)	−0.0046 (10)	−0.0013 (9)
O7'	0.073 (9)	0.081 (9)	0.096 (10)	−0.033 (7)	0.011 (7)	−0.034 (7)
O8'	0.137 (11)	0.121 (10)	0.113 (10)	−0.009 (8)	−0.012 (8)	0.056 (8)
O9'	0.150 (11)	0.138 (10)	0.118 (10)	0.017 (8)	0.064 (8)	−0.032 (8)
O10'	0.054 (6)	0.077 (7)	0.144 (11)	0.004 (5)	−0.023 (7)	0.009 (7)

Geometric parameters (Å, º) top

Er1—O4	2.266 (3)	C11—C12	1.386 (7)
Er1—O2ⁱ	2.289 (3)	C11—H6	0.9300
Er1—O1ⁱⁱ	2.290 (3)	C12—H5	0.9300
Er1—O3ⁱⁱⁱ	2.308 (3)	O1—Er1^v	2.290 (3)
Er1—O5^iv	2.341 (3)	O2—Er1^vi	2.289 (3)
Er1—O1W	2.369 (3)	O3—Er1^vii	2.308 (3)
Er1—O6	2.405 (3)	O1W—H1W	0.81 (4)
Er1—O5	2.454 (3)	O1W—H2W	0.82 (4)
Ag1—N1	2.153 (4)	O6—C13	1.256 (6)
Ag1—N2	2.154 (4)	O5—C13	1.263 (6)
N1—C5	1.336 (7)	O5—Er1^iv	2.341 (3)
N1—C4	1.337 (8)	C13—C14	1.507 (9)
N2—C12	1.335 (7)	C13—C14'	1.507 (10)
N2—C7	1.341 (7)	C14—H14A	0.9600
C1—O2	1.248 (6)	C14—H14B	0.9600
C1—O1	1.266 (6)	C14—H14C	0.9600
C1—C2	1.507 (6)	C14'—H14D	0.9600
C2—C3	1.370 (7)	C14'—H14E	0.9600
C2—C6	1.376 (7)	C14'—H14F	0.9600
C3—C4	1.374 (8)	Cl1—O8	1.368 (9)
C3—H8	0.9300	Cl1—O10'	1.384 (8)
C4—H7	0.9300	Cl1—O7'	1.390 (9)
C5—C6	1.382 (7)	Cl1—O9	1.399 (9)
C5—H11	0.9300	Cl1—O8'	1.414 (10)
C6—H10	0.9300	Cl1—O7	1.423 (9)
C7—C8	1.376 (7)	Cl1—O10	1.451 (9)
C7—H4	0.9300	Cl1—O9'	1.452 (10)
C8—C9	1.381 (7)	O8—O8'	0.988 (19)
C8—H3	0.9300	O8—O9'	1.557 (19)
C9—C11	1.378 (7)	O9—O10'	1.278 (15)
C9—C10	1.505 (6)	O9—O9'	1.307 (17)
C10—O3	1.246 (5)	O10—O10'	1.280 (17)
C10—O4	1.258 (5)	O10—O8'	1.650 (18)

O4—Er1—O2ⁱ	104.11 (13)	O4—C10—C9	117.9 (4)
O4—Er1—O1ⁱⁱ	90.06 (13)	C9—C11—C12	119.1 (5)
O2ⁱ—Er1—O1ⁱⁱ	139.15 (12)	C9—C11—H6	120.4
O4—Er1—O3ⁱⁱⁱ	85.24 (12)	C12—C11—H6	120.4
O2ⁱ—Er1—O3ⁱⁱⁱ	73.96 (11)	N2—C12—C11	122.5 (5)
O1ⁱⁱ—Er1—O3ⁱⁱⁱ	146.30 (12)	N2—C12—H5	118.7
O4—Er1—O5^iv	77.04 (11)	C11—C12—H5	118.7
O2ⁱ—Er1—O5^iv	71.89 (13)	C1—O1—Er1^v	134.9 (3)
O1ⁱⁱ—Er1—O5^iv	74.47 (12)	C1—O2—Er1^vi	138.3 (3)
O3ⁱⁱⁱ—Er1—O5^iv	135.93 (12)	C10—O3—Er1^vii	148.8 (3)
O4—Er1—O1W	78.85 (13)	C10—O4—Er1	139.3 (3)
O2ⁱ—Er1—O1W	148.19 (12)	Er1—O1W—H1W	125 (4)
O1ⁱⁱ—Er1—O1W	71.58 (12)	Er1—O1W—H2W	122 (4)
O3ⁱⁱⁱ—Er1—O1W	74.77 (12)	H1W—O1W—H2W	106 (4)
O5^iv—Er1—O1W	137.91 (12)	C13—O6—Er1	95.3 (3)
O4—Er1—O6	154.95 (12)	C13—O5—Er1^iv	160.6 (3)
O2ⁱ—Er1—O6	92.59 (14)	C13—O5—Er1	92.8 (3)
O1ⁱⁱ—Er1—O6	89.25 (14)	Er1^iv—O5—Er1	106.35 (13)
O3ⁱⁱⁱ—Er1—O6	81.55 (12)	O6—C13—O5	118.7 (4)
O5^iv—Er1—O6	126.62 (11)	O6—C13—C14	119.6 (11)
O1W—Er1—O6	77.18 (13)	O5—C13—C14	120.8 (11)
O4—Er1—O5	149.53 (11)	O6—C13—C14'	122.6 (12)
O2ⁱ—Er1—O5	74.51 (12)	O5—C13—C14'	118.3 (12)
O1ⁱⁱ—Er1—O5	74.32 (12)	O6—C13—Er1	58.3 (2)
O3ⁱⁱⁱ—Er1—O5	122.10 (12)	O5—C13—Er1	60.6 (2)
O5^iv—Er1—O5	73.65 (13)	C14—C13—Er1	167.2 (12)
O1W—Er1—O5	118.73 (13)	C14'—C13—Er1	177.2 (13)
O6—Er1—O5	52.98 (11)	C13—C14—H14A	109.5
O4—Er1—C13	169.94 (13)	C13—C14—H14B	109.5
O2ⁱ—Er1—C13	83.95 (14)	C13—C14—H14C	109.5
O1ⁱⁱ—Er1—C13	79.88 (14)	C13—C14'—H14D	109.5
O3ⁱⁱⁱ—Er1—C13	102.99 (13)	C13—C14'—H14E	109.5
O5^iv—Er1—C13	100.25 (13)	H14D—C14'—H14E	109.5
O1W—Er1—C13	97.55 (14)	C13—C14'—H14F	109.5
O6—Er1—C13	26.38 (13)	H14D—C14'—H14F	109.5
O5—Er1—C13	26.64 (12)	H14E—C14'—H14F	109.5
O4—Er1—Er1^iv	114.47 (8)	O8—Cl1—O10'	140.3 (9)
O2ⁱ—Er1—Er1^iv	68.88 (8)	O8—Cl1—O7'	104.2 (12)
O1ⁱⁱ—Er1—Er1^iv	70.37 (8)	O10'—Cl1—O7'	113.8 (8)
O3ⁱⁱⁱ—Er1—Er1^iv	141.06 (8)	O8—Cl1—O9	111.5 (8)
O5^iv—Er1—Er1^iv	37.84 (8)	O10'—Cl1—O9	54.6 (7)
O1W—Er1—Er1^iv	139.44 (9)	O7'—Cl1—O9	124.9 (10)
O6—Er1—Er1^iv	88.78 (8)	O10'—Cl1—O8'	110.7 (8)
O5—Er1—Er1^iv	35.81 (8)	O7'—Cl1—O8'	110.1 (9)
C13—Er1—Er1^iv	62.42 (10)	O9—Cl1—O8'	124.5 (9)
N1—Ag1—N2	165.44 (19)	O8—Cl1—O7	112.4 (8)
C5—N1—C4	117.6 (5)	O10'—Cl1—O7	107.3 (10)
C5—N1—Ag1	126.0 (4)	O9—Cl1—O7	107.7 (8)
C4—N1—Ag1	116.3 (4)	O8'—Cl1—O7	126.7 (10)
C12—N2—C7	118.2 (4)	O8—Cl1—O10	111.8 (8)
C12—N2—Ag1	123.0 (4)	O10'—Cl1—O10	53.6 (7)
C7—N2—Ag1	118.8 (4)	O7'—Cl1—O10	97.3 (10)
O2—C1—O1	126.7 (4)	O9—Cl1—O10	106.3 (7)
O2—C1—C2	116.4 (4)	O8'—Cl1—O10	70.3 (8)
O1—C1—C2	116.9 (4)	O7—Cl1—O10	106.7 (8)
C3—C2—C6	118.5 (5)	O8—Cl1—O9'	66.9 (8)
C3—C2—C1	119.4 (5)	O10'—Cl1—O9'	109.0 (8)
C6—C2—C1	122.2 (5)	O7'—Cl1—O9'	108.9 (8)
C2—C3—C4	119.5 (5)	O9—Cl1—O9'	54.5 (7)
C2—C3—H8	120.2	O8'—Cl1—O9'	103.8 (8)
C4—C3—H8	120.2	O7—Cl1—O9'	97.5 (10)
N1—C4—C3	122.7 (5)	O10—Cl1—O9'	153.4 (9)
N1—C4—H7	118.6	O8'—O8—Cl1	71.7 (8)
C3—C4—H7	118.6	O8'—O8—O9'	123.3 (13)
N1—C5—C6	122.7 (5)	Cl1—O8—O9'	59.1 (6)
N1—C5—H11	118.6	O10'—O9—O9'	126.6 (10)
C6—C5—H11	118.6	O10'—O9—Cl1	62.1 (6)
C2—C6—C5	119.0 (5)	O9'—O9—Cl1	64.8 (7)
C2—C6—H10	120.5	O10'—O10—Cl1	60.5 (6)
C5—C6—H10	120.5	O10'—O10—O8'	102.8 (9)
N2—C7—C8	122.2 (5)	Cl1—O10—O8'	53.8 (5)
N2—C7—H4	118.9	O8—O8'—Cl1	66.8 (8)
C8—C7—H4	118.9	O8—O8'—O10	122.7 (11)
C7—C8—C9	119.7 (5)	Cl1—O8'—O10	55.9 (6)
C7—C8—H3	120.2	O9—O9'—Cl1	60.7 (5)
C9—C8—H3	120.2	O9—O9'—O8	105.7 (9)
C11—C9—C8	118.2 (4)	Cl1—O9'—O8	54.0 (5)
C11—C9—C10	121.7 (4)	O9—O10'—O10	126.2 (10)
C8—C9—C10	120.0 (4)	O9—O10'—Cl1	63.3 (6)
O3—C10—O4	124.5 (4)	O10—O10'—Cl1	65.9 (6)
O3—C10—C9	117.6 (4)

Symmetry codes: (i) −x+1, y+1/2, −z+1/2; (ii) x+1, −y+3/2, z−1/2; (iii) x, −y+3/2, z+1/2; (iv) −x+2, −y+2, −z; (v) x−1, −y+3/2, z+1/2; (vi) −x+1, y−1/2, −z+1/2; (vii) x, −y+3/2, z−1/2.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H2W···O4ⁱⁱⁱ	0.82 (4)	2.19 (3)	2.891 (5)	145 (5)
O1W—H1W···O6^vii	0.81 (4)	1.99 (4)	2.786 (5)	167 (6)

Symmetry codes: (iii) x, −y+3/2, z+1/2; (vii) x, −y+3/2, z−1/2.

Experimental details

Crystal data
Chemical formula	[AgEr(C₆H₄NO₂)₂(C₂H₃O₂)(H₂O)]ClO₄
M_r	695.84
Crystal system, space group	Monoclinic, P2₁/c
Temperature (K)	296
a, b, c (Å)	16.1952 (11), 14.8673 (11), 7.8938 (6)
β (°)	91.783 (1)
V (Å³)	1899.7 (2)
Z	4
Radiation type	Mo Kα
µ (mm⁻¹)	5.62
Crystal size (mm)	0.23 × 0.20 × 0.19

Data collection
Diffractometer	Bruker APEXII area-detector diffractometer
Absorption correction	Multi-scan (SADABS; Sheldrick, 1996)
T_min, T_max	0.285, 0.344
No. of measured, independent and observed [I > 2σ(I)] reflections	9611, 3423, 3009
R_int	0.030
(sin θ/λ)_max (Å⁻¹)	0.599

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.025, 0.057, 1.05
No. of reflections	3423
No. of parameters	320
No. of restraints	158
H-atom treatment	H atoms treated by a mixture of independent and constrained refinement
Δρ_max, Δρ_min (e Å⁻³)	0.76, −1.04

Computer programs: APEX2 (Bruker, 2004), SAINT (Bruker, 2004), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), XP in SHELXTL (Sheldrick, 2008).

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H2W···O4ⁱ	0.82 (4)	2.19 (3)	2.891 (5)	145 (5)
O1W—H1W···O6ⁱⁱ	0.81 (4)	1.99 (4)	2.786 (5)	167 (6)

Symmetry codes: (i) x, −y+3/2, z+1/2; (ii) x, −y+3/2, z−1/2.

Acknowledgements

The author acknowledges South China Normal University for supporting this work.

References

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