Poly[[diaqua­bis(μ2-isonicotinato-κ2N:O)bis­(μ3-isonicotinato-κ3N:O:O′)neodymium(III)disilver(I)] nitrate monohydrate]

Zhan, Q.-G.; Huang, J.-X.; Zeng, R.-H.

doi:10.1107/S1600536809042342

metal-organic compounds

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ISSN: 2056-9890

Volume 65| Part 11| November 2009| Pages m1434-m1435

https://doi.org/10.1107/S1600536809042342

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Poly[[diaquabis(μ₂-isonicotinato-κ²N:O)bis(μ₃-isonicotinato-κ³N:O:O′)neodymium(III)disilver(I)] nitrate monohydrate]

Qing-Guang Zhan,^a,^b ^* Jie-Xuan Huang ^a and Rong-Hua Zeng ^a,^b

^aSchool of Chemistry and Environment, South China Normal University, Guangzhou 510006, People's Republic of China, and ^bKey Laboratory of Technology on Electrochemical Energy, Storage and Power Generation in Guangdong Universities, South China Normal University, Guangzhou 510006, People's Republic of China
^*Correspondence e-mail: zhanqg2001@yahoo.com.cn

(Received 26 September 2009; accepted 15 October 2009; online 28 October 2009)

In the title complex, {[Ag₂Nd(C₆H₄NO₂)₄(H₂O)₂]NO₃·H₂O}_n, the Nd^III ion is coordinated by eight O atoms from six isonicotinate ligands and two water molecules in a distorted square antiprismatic geometry. Each Ag^I ion is coordinated by two N atoms from two different isonicotinate ligands. The crystal structure exhibits a two-dimensional heterometallic polymeric layer. O—H⋯O hydrogen bonds involving the coordinated and uncoordinated water molecules and intralayer π–π interactions between the pyridine rings [centroid–centroid distances = 3.571 (2) and 3.569 (2) Å] are observed. Each layer interacts with two neighboring ones via Ag⋯O(H₂O) contacts and interlayer π–π interactions [centroid–centroid distances = 3.479 (3) to 3.530 (3) Å], leading to a three-dimensional supramolecular network.

Related literature

For general background to metal organic frameworks, see: Batten & Robson (1998 ); Min & Suh (2000 ). For 4d–4f heterometallic coordination frameworks, see: Cai et al. (2009 ).

Experimental

Crystal data

[Ag₂Nd(C₆H₄NO₂)₄(H₂O)₂]NO₃·H₂O
M_r = 964.45
Monoclinic, P 2₁ /c
a = 16.9648 (19) Å
b = 24.793 (3) Å
c = 6.7770 (8) Å
β = 95.849 (1)°
V = 2835.7 (6) Å³
Z = 4
Mo Kα radiation
μ = 3.25 mm⁻¹
T = 296 K
0.23 × 0.20 × 0.18 mm

Data collection

Bruker APEXII CCD diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ) T_min = 0.522, T_max = 0.592
14629 measured reflections
5092 independent reflections
4024 reflections with I > 2σ(I)
R_int = 0.043

Refinement

R[F² > 2σ(F²)] = 0.032
wR(F²) = 0.067
S = 1.01
5092 reflections
433 parameters
9 restraints
H atoms treated by a mixture of independent and constrained refinement
Δρ_max = 0.57 e Å⁻³
Δρ_min = −0.91 e Å⁻³

Table 1
Selected bond lengths (Å)

Nd1—O1ⁱ	2.381 (3)
Nd1—O2	2.502 (3)
Nd1—O3ⁱⁱ	2.426 (3)
Nd1—O4ⁱⁱⁱ	2.432 (3)
Nd1—O5	2.416 (3)
Nd1—O7	2.406 (3)
Nd1—O2W	2.492 (4)
Nd1—O3W	2.564 (3)
Ag1—N1	2.155 (4)
Ag1—N2	2.155 (4)
Ag1⋯O1Wⁱ	2.888 (4)
Ag1⋯O10	2.771 (5)
Ag2—N3^iv	2.200 (4)
Ag2—N4	2.184 (4)
Ag2⋯O3W^v	2.741 (4)
Ag2⋯O9^vi	2.950 (5)
Symmetry codes: (i) $[x, -y+{\script{3\over 2}}, z-{\script{1\over 2}}]$ ; (ii) x-1, y, z; (iii) $[x-1, -y+{\script{3\over 2}}, z-{\script{1\over 2}}]$ ; (iv) x+1, y, z; (v) -x+1, -y+1, -z; (vi) x, y, z-1.

Table 2
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1W—H1A⋯O10^vii	0.85 (3)	1.96 (2)	2.796 (8)	167 (7)
O1W—H1B⋯O9	0.85 (4)	2.12 (5)	2.945 (8)	164 (6)
O2W—H2A⋯O6	0.85 (4)	2.06 (3)	2.799 (5)	145 (5)
O2W—H2B⋯O4ⁱⁱⁱ	0.84 (4)	2.21 (4)	3.033 (5)	166 (5)
O3W—H3A⋯O8	0.85 (3)	1.87 (2)	2.653 (5)	153 (4)
O3W—H3B⋯O6^vii	0.85 (3)	2.11 (3)	2.951 (5)	174 (5)
Symmetry codes: (iii) $[x-1, -y+{\script{3\over 2}}, z-{\script{1\over 2}}]$ ; (vii) x, y, z+1.

Data collection: APEX2 (Bruker, 2007 ); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 1999 ); software used to prepare material for publication: SHELXL97.

Supporting information

Crystal structure: contains datablocks I, global. DOI: https://doi.org/10.1107/S1600536809042342/hy2237sup1.cif

Structure factors: contains datablock I. DOI: https://doi.org/10.1107/S1600536809042342/hy2237Isup2.hkl

checkCIF report

Comment top

In recent years, assembly processes directed by metal–ligand ligation have been extensively utilized to construct metal organic frameworks with novel topologies and potentially interesting functions in magnetism, photoluminescence, sorption, catalysis (Batten & Robson, 1998; Min & Suh, 2000). However, metal-directed assembly of 4d–4f heterometallic coordination frameworks with fascinating topological networks and potential applications have been few reported (Cai et al., 2009). We utilized isonicotinate as multifunctional ligand with O and N atoms on opposite sites. Here, a new metal-directed assembly of 4d–4f coordination polymer, which was synthesized under hydrothermal conditions, is reported.

The asymmetric unit of the title complex contains one Nd^III ion, two Ag^I ions, four crystallographically unique isonicotinate ligands, one nitrate anion, two coordinated water molecules and one uncoordinated water molecule (Fig. 1). The Nd^III ion is in a distorted square antiprismatic geometry, defined by eight O atoms from six isonicotinate ligands and two water molecules. The Nd—O bond distances and O—Nd—O bond angles range from 2.381 (3) to 2.564 (3) Å and 71.79 (11) to 145.83 (12)°, respectively (Table 1). The Ag^I ion exhibits an approximatly linear or bow-like configuration, being coordinated by two N atoms from two different isonicotinate ligands. The isonicotinate ligands link Nd and Ag metal centers, forming a layer in the (010) plane, which are stabilized by O—H···O hydrogen bonds involving the coordinated and uncoordinated water molecules (Table 2) and intralayer π–π stacking interactions between the pyridine rings, with a centroid–centroid distances of 3.571 (2) and 3.569 (2) Å. These layers are further connected by Ag···O(H₂O) contacts and interlayer π–π stacking interactions [centroid–centroid distances = 3.479 (3) to 3.530 (3) Å] between the pyridine rings of two adjacent layers, assembling a three-dimensional supramolecular architecture (Fig. 2).

Related literature top

For general background to metal organic frameworks, see: Batten & Robson (1998); Min & Suh (2000). For 4d–4f heterometallic coordination frameworks, see: Cai et al. (2009).

Experimental top

A mixture of Nd₂O₃ (0.183 g, 0.5 mmol), AgNO₃ (0.170 g, 1 mmol), isonicotinic acid (0.135 g, 1.5 mmol), water (10 ml) in the presence of HNO₃(0.024 g, 0.385 mmol) was stirred vigorously for 20 min and then sealed in a Teflon-lined stainless-steel autoclave (20 ml capacity). The autoclave was heated and maintained at 443 K for 3 d, and then cooled to room temperature at 5 K h^-1. The colorless block crystals of the title compound were obtained.

Structure description top

For general background to metal organic frameworks, see: Batten & Robson (1998); Min & Suh (2000). For 4d–4f heterometallic coordination frameworks, see: Cai et al. (2009).

Computing details top

Data collection: APEX2 (Bruker, 2007); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT (Bruker, 2007); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 1999); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008).

Figures top

	Fig. 1. The asymmetric unit of the title compound. Displacement ellipsoids are drawn at the 30% probability level. H atoms have been omitted for clarity. [Symmetry codes: (i) x, 3/2-y, -1/2+z; (ii) -1+x, y, z; (iii) -1+x, 3/2-y, -1/2+z.]
	Fig. 2. A view of the layered networks in the title compound.

Poly[[diaquabis(µ₂-isonicotinato-κ²N:O)bis(µ₃- isonicotinato-κ³N:O:O')neodymium(III)disilver(I)] nitrate monohydrate] top

Crystal data top

[Ag₂Nd(C₆H₄NO₂)₄(H₂O)₂]NO₃·H₂O	F(000) = 1868
M_r = 964.45	D_x = 2.259 Mg m⁻³
Monoclinic, P2₁/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 3327 reflections
a = 16.9648 (19) Å	θ = 2.4–25.9°
b = 24.793 (3) Å	µ = 3.25 mm⁻¹
c = 6.7770 (8) Å	T = 296 K
β = 95.849 (1)°	Block, colorless
V = 2835.7 (6) Å³	0.23 × 0.20 × 0.18 mm
Z = 4

Data collection top

Bruker APEXII CCD diffractometer	5092 independent reflections
Radiation source: fine-focus sealed tube	4024 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.043
φ and ω scans	θ_max = 25.2°, θ_min = 1.6°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −17→20
T_min = 0.522, T_max = 0.592	k = −29→29
14629 measured reflections	l = −8→5

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)] = 0.032	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.067	H atoms treated by a mixture of independent and constrained refinement
S = 1.01	w = 1/[σ²(F_o²) + (0.0268P)²] where P = (F_o² + 2F_c²)/3
5092 reflections	(Δ/σ)_max = 0.001
433 parameters	Δρ_max = 0.57 e Å⁻³
9 restraints	Δρ_min = −0.91 e Å⁻³

Crystal data top

[Ag₂Nd(C₆H₄NO₂)₄(H₂O)₂]NO₃·H₂O	V = 2835.7 (6) Å³
M_r = 964.45	Z = 4
Monoclinic, P2₁/c	Mo Kα radiation
a = 16.9648 (19) Å	µ = 3.25 mm⁻¹
b = 24.793 (3) Å	T = 296 K
c = 6.7770 (8) Å	0.23 × 0.20 × 0.18 mm
β = 95.849 (1)°

Data collection top

Bruker APEXII CCD diffractometer	5092 independent reflections
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	4024 reflections with I > 2σ(I)
T_min = 0.522, T_max = 0.592	R_int = 0.043
14629 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.032	9 restraints
wR(F²) = 0.067	H atoms treated by a mixture of independent and constrained refinement
S = 1.01	Δρ_max = 0.57 e Å⁻³
5092 reflections	Δρ_min = −0.91 e Å⁻³
433 parameters

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

	x	y	z	U_iso*/U_eq
Nd1	0.269306 (14)	0.662399 (10)	0.11749 (4)	0.01959 (8)
Ag1	0.77067 (2)	0.728604 (19)	0.49039 (7)	0.04705 (14)
Ag2	0.76495 (3)	0.510435 (19)	−0.09689 (7)	0.05046 (14)
O7	0.38451 (19)	0.60656 (13)	0.1017 (5)	0.0338 (9)
O2	0.35364 (18)	0.68568 (12)	0.4305 (5)	0.0289 (8)
O5	0.1656 (2)	0.60334 (15)	−0.0262 (5)	0.0456 (10)
C3	0.5223 (3)	0.77468 (17)	0.5011 (7)	0.0242 (11)
H3	0.4958	0.8074	0.5054	0.029*
C1	0.3912 (3)	0.72711 (19)	0.4857 (7)	0.0229 (11)
C2	0.4801 (3)	0.72666 (17)	0.4924 (6)	0.0197 (10)
N2	0.8974 (2)	0.72776 (16)	0.4834 (6)	0.0341 (10)
N1	0.6441 (2)	0.72777 (16)	0.4996 (6)	0.0327 (10)
C6	0.5224 (3)	0.67929 (18)	0.4894 (7)	0.0246 (11)
H6	0.4963	0.6462	0.4835	0.030*
C10	0.9388 (3)	0.77404 (19)	0.4767 (7)	0.0308 (12)
H10	0.9122	0.8067	0.4841	0.037*
C9	1.0183 (3)	0.77478 (18)	0.4595 (7)	0.0275 (12)
H9	1.0448	0.8076	0.4563	0.033*
C20	0.5069 (3)	0.56100 (17)	0.1414 (7)	0.0258 (11)
C19	0.4289 (3)	0.57592 (18)	0.2152 (8)	0.0259 (11)
O8	0.4127 (2)	0.55701 (14)	0.3746 (5)	0.0371 (9)
N4	0.6493 (2)	0.52916 (15)	0.0010 (6)	0.0316 (10)
C22	0.5972 (3)	0.56051 (19)	−0.1083 (8)	0.0337 (13)
H22	0.6094	0.5719	−0.2323	0.040*
C23	0.6300 (3)	0.5135 (2)	0.1793 (8)	0.0341 (13)
H23	0.6649	0.4912	0.2561	0.041*
C5	0.6032 (3)	0.6814 (2)	0.4951 (8)	0.0334 (13)
H5	0.6312	0.6491	0.4959	0.040*
C8	1.0594 (3)	0.72707 (18)	0.4469 (6)	0.0218 (11)
C12	1.0174 (3)	0.67961 (19)	0.4565 (7)	0.0279 (12)
H12	1.0430	0.6466	0.4493	0.033*
C14	0.0414 (3)	0.57066 (17)	−0.1642 (7)	0.0242 (11)
C15	0.0089 (3)	0.57587 (18)	0.0129 (7)	0.0308 (12)
H15	0.0389	0.5904	0.1228	0.037*
C13	0.1266 (3)	0.58696 (18)	−0.1849 (8)	0.0277 (12)
C18	−0.0059 (3)	0.54950 (18)	−0.3233 (7)	0.0291 (12)
H18	0.0130	0.5466	−0.4469	0.035*
O6	0.1513 (2)	0.58320 (14)	−0.3490 (5)	0.0413 (10)
C24	0.5615 (3)	0.52881 (19)	0.2536 (8)	0.0319 (12)
H24	0.5514	0.5176	0.3796	0.038*
C21	0.5267 (3)	0.57646 (18)	−0.0447 (8)	0.0299 (12)
H21	0.4919	0.5977	−0.1263	0.036*
C16	−0.0679 (3)	0.55962 (19)	0.0274 (8)	0.0348 (13)
H16	−0.0895	0.5645	0.1469	0.042*
C17	−0.0811 (3)	0.53274 (19)	−0.2966 (8)	0.0341 (13)
H17	−0.1117	0.5176	−0.4043	0.041*
C4	0.6027 (3)	0.77385 (19)	0.5035 (7)	0.0316 (12)
H4	0.6299	0.8064	0.5080	0.038*
C11	0.9378 (3)	0.6811 (2)	0.4766 (7)	0.0323 (12)
H11	0.9107	0.6487	0.4859	0.039*
O1	0.3610 (2)	0.76974 (13)	0.5428 (5)	0.0410 (10)
C7	1.1467 (3)	0.72688 (19)	0.4130 (7)	0.0249 (11)
O3	1.17260 (19)	0.68473 (13)	0.3448 (5)	0.0321 (8)
O4	1.1839 (2)	0.76939 (14)	0.4499 (6)	0.0419 (10)
O3W	0.2587 (2)	0.57863 (14)	0.3352 (5)	0.0308 (8)
H3B	0.2294 (19)	0.578 (2)	0.429 (4)	0.046*
H3A	0.3050 (10)	0.571 (2)	0.387 (6)	0.046*
O2W	0.2838 (2)	0.64789 (16)	−0.2408 (6)	0.0436 (10)
H2A	0.257 (2)	0.6245 (15)	−0.310 (7)	0.065*
H2B	0.251 (2)	0.6703 (17)	−0.205 (8)	0.065*
N5	0.7673 (3)	0.5865 (2)	0.3990 (10)	0.0570 (15)
O11	0.7991 (3)	0.5483 (2)	0.3274 (7)	0.0789 (15)
O9	0.7419 (3)	0.5845 (2)	0.5614 (7)	0.094 (2)
O10	0.7590 (3)	0.6295 (2)	0.3006 (8)	0.0892 (17)
N3	−0.1129 (2)	0.53684 (16)	−0.1258 (7)	0.0326 (10)
O1W	0.7704 (3)	0.65730 (16)	0.9046 (8)	0.0724 (14)
H1A	0.769 (5)	0.644 (2)	1.019 (4)	0.109*
H1B	0.763 (5)	0.6313 (17)	0.824 (7)	0.109*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Nd1	0.01421 (13)	0.02069 (13)	0.02424 (15)	−0.00081 (11)	0.00374 (10)	0.00027 (11)
Ag1	0.0152 (2)	0.0632 (3)	0.0635 (3)	0.0000 (2)	0.00745 (19)	−0.0005 (2)
Ag2	0.0231 (2)	0.0605 (3)	0.0700 (4)	0.0006 (2)	0.0150 (2)	0.0039 (2)
O7	0.028 (2)	0.037 (2)	0.037 (2)	0.0145 (16)	0.0071 (16)	0.0030 (16)
O2	0.0205 (18)	0.0311 (18)	0.035 (2)	−0.0041 (15)	0.0004 (15)	−0.0064 (15)
O5	0.041 (2)	0.062 (2)	0.033 (2)	−0.028 (2)	0.0013 (18)	−0.0006 (19)
C3	0.024 (3)	0.019 (2)	0.030 (3)	0.001 (2)	0.002 (2)	−0.001 (2)
C1	0.017 (3)	0.032 (3)	0.021 (3)	0.003 (2)	0.006 (2)	0.003 (2)
C2	0.017 (2)	0.027 (2)	0.015 (3)	0.002 (2)	−0.0024 (19)	−0.0007 (19)
N2	0.021 (2)	0.040 (3)	0.042 (3)	0.005 (2)	0.0059 (19)	0.000 (2)
N1	0.022 (2)	0.036 (3)	0.040 (3)	0.003 (2)	0.0046 (19)	0.002 (2)
C6	0.020 (3)	0.025 (3)	0.029 (3)	−0.003 (2)	0.004 (2)	−0.003 (2)
C10	0.025 (3)	0.028 (3)	0.039 (3)	0.006 (2)	0.000 (2)	−0.001 (2)
C9	0.027 (3)	0.023 (3)	0.033 (3)	−0.002 (2)	0.003 (2)	−0.002 (2)
C20	0.025 (3)	0.018 (2)	0.034 (3)	0.000 (2)	0.001 (2)	−0.002 (2)
C19	0.024 (3)	0.020 (2)	0.034 (3)	0.003 (2)	0.003 (2)	−0.005 (2)
O8	0.035 (2)	0.046 (2)	0.032 (2)	0.0109 (18)	0.0120 (17)	0.0124 (18)
N4	0.024 (2)	0.028 (2)	0.044 (3)	−0.0003 (19)	0.007 (2)	−0.004 (2)
C22	0.031 (3)	0.030 (3)	0.042 (4)	0.003 (2)	0.010 (2)	0.005 (2)
C23	0.023 (3)	0.034 (3)	0.045 (4)	0.005 (2)	−0.001 (2)	0.002 (3)
C5	0.024 (3)	0.031 (3)	0.044 (4)	0.012 (2)	0.003 (2)	0.000 (2)
C8	0.019 (3)	0.029 (3)	0.017 (3)	−0.001 (2)	0.0016 (19)	−0.003 (2)
C12	0.022 (3)	0.025 (3)	0.037 (3)	0.002 (2)	0.003 (2)	−0.001 (2)
C14	0.024 (3)	0.019 (2)	0.029 (3)	−0.004 (2)	0.000 (2)	0.000 (2)
C15	0.035 (3)	0.028 (3)	0.029 (3)	−0.005 (2)	0.003 (2)	−0.006 (2)
C13	0.028 (3)	0.023 (3)	0.031 (3)	−0.008 (2)	0.000 (2)	−0.002 (2)
C18	0.029 (3)	0.030 (3)	0.029 (3)	−0.003 (2)	0.006 (2)	−0.002 (2)
O6	0.035 (2)	0.057 (3)	0.033 (2)	−0.0149 (19)	0.0110 (17)	−0.0100 (18)
C24	0.029 (3)	0.033 (3)	0.034 (3)	−0.001 (2)	0.001 (2)	0.001 (2)
C21	0.032 (3)	0.025 (3)	0.033 (3)	0.002 (2)	0.003 (2)	0.002 (2)
C16	0.032 (3)	0.038 (3)	0.035 (3)	0.006 (3)	0.012 (2)	−0.001 (2)
C17	0.030 (3)	0.035 (3)	0.036 (3)	−0.009 (2)	−0.005 (3)	0.003 (2)
C4	0.027 (3)	0.028 (3)	0.040 (3)	−0.007 (2)	0.002 (2)	0.000 (2)
C11	0.026 (3)	0.032 (3)	0.040 (3)	−0.006 (2)	0.004 (2)	0.004 (2)
O1	0.022 (2)	0.034 (2)	0.067 (3)	0.0073 (16)	0.0020 (17)	−0.0206 (19)
C7	0.020 (3)	0.032 (3)	0.022 (3)	0.001 (2)	0.000 (2)	0.003 (2)
O3	0.0211 (19)	0.037 (2)	0.040 (2)	0.0038 (16)	0.0118 (15)	−0.0043 (17)
O4	0.022 (2)	0.043 (2)	0.061 (3)	−0.0105 (17)	0.0040 (17)	−0.0183 (19)
O3W	0.026 (2)	0.034 (2)	0.033 (2)	0.0006 (17)	0.0093 (15)	0.0029 (16)
O2W	0.043 (2)	0.058 (3)	0.030 (2)	−0.010 (2)	0.0055 (18)	−0.0101 (18)
N5	0.033 (3)	0.068 (4)	0.066 (5)	0.011 (3)	−0.011 (3)	−0.016 (4)
O11	0.052 (3)	0.109 (4)	0.073 (4)	0.026 (3)	−0.003 (2)	−0.027 (3)
O9	0.082 (4)	0.167 (6)	0.035 (3)	0.062 (4)	0.013 (3)	0.004 (3)
O10	0.096 (5)	0.084 (4)	0.090 (4)	−0.013 (3)	0.021 (3)	−0.014 (3)
N3	0.027 (2)	0.030 (2)	0.041 (3)	−0.0025 (19)	0.006 (2)	0.002 (2)
O1W	0.071 (3)	0.041 (3)	0.106 (4)	−0.009 (3)	0.010 (3)	0.001 (2)

Geometric parameters (Å, º) top

Nd1—O1ⁱ	2.381 (3)	N4—C23	1.341 (6)
Nd1—O2	2.502 (3)	N4—C22	1.342 (6)
Nd1—O3ⁱⁱ	2.426 (3)	C22—C21	1.370 (7)
Nd1—O4ⁱⁱⁱ	2.432 (3)	C22—H22	0.9300
Nd1—O5	2.416 (3)	C23—C24	1.366 (7)
Nd1—O7	2.406 (3)	C23—H23	0.9300
Nd1—O2W	2.492 (4)	C5—H5	0.9300
Nd1—O3W	2.564 (3)	C8—C12	1.381 (6)
Ag1—N1	2.155 (4)	C8—C7	1.521 (6)
Ag1—N2	2.155 (4)	C12—C11	1.372 (6)
Ag1—O1Wⁱ	2.888 (4)	C12—H12	0.9300
Ag1—O10	2.771 (5)	C14—C15	1.377 (7)
Ag2—N3^iv	2.200 (4)	C14—C18	1.380 (6)
Ag2—N4	2.184 (4)	C14—C13	1.521 (7)
Ag2—O3W^v	2.741 (4)	C15—C16	1.378 (7)
Ag2—O9^vi	2.950 (5)	C15—H15	0.9300
O7—C19	1.272 (5)	C13—O6	1.232 (6)
O2—C1	1.246 (5)	C18—C17	1.372 (7)
O5—C13	1.271 (5)	C18—H18	0.9300
C3—C4	1.361 (6)	C24—H24	0.9300
C3—C2	1.387 (6)	C21—H21	0.9300
C3—H3	0.9300	C16—N3	1.348 (6)
C1—O1	1.253 (5)	C16—H16	0.9300
C1—C2	1.505 (6)	C17—N3	1.330 (7)
C2—C6	1.378 (6)	C17—H17	0.9300
N2—C11	1.348 (6)	C4—H4	0.9300
N2—C10	1.349 (6)	C11—H11	0.9300
N1—C5	1.342 (6)	C7—O4	1.241 (5)
N1—C4	1.343 (6)	C7—O3	1.241 (5)
C6—C5	1.369 (6)	O3W—H3B	0.85 (3)
C6—H6	0.9300	O3W—H3A	0.85 (3)
C10—C9	1.365 (7)	O2W—H2A	0.85 (4)
C10—H10	0.9300	O2W—H2B	0.84 (4)
C9—C8	1.381 (6)	N5—O11	1.215 (6)
C9—H9	0.9300	N5—O9	1.223 (7)
C20—C24	1.390 (6)	N5—O10	1.260 (7)
C20—C21	1.392 (7)	O1W—H1A	0.85 (3)
C20—C19	1.507 (7)	O1W—H1B	0.85 (4)
C19—O8	1.234 (6)

O1ⁱ—Nd1—O7	81.12 (12)	O8—C19—C20	118.6 (4)
O1ⁱ—Nd1—O5	143.84 (12)	O7—C19—C20	115.6 (5)
O7—Nd1—O5	101.23 (13)	C23—N4—C22	117.1 (5)
O1ⁱ—Nd1—O3ⁱⁱ	118.20 (12)	C23—N4—Ag2	121.5 (3)
O7—Nd1—O3ⁱⁱ	139.85 (11)	C22—N4—Ag2	121.2 (4)
O5—Nd1—O3ⁱⁱ	83.25 (12)	N4—C22—C21	122.8 (5)
O1ⁱ—Nd1—O4ⁱⁱⁱ	77.33 (11)	N4—C22—H22	118.6
O7—Nd1—O4ⁱⁱⁱ	145.83 (12)	C21—C22—H22	118.6
O5—Nd1—O4ⁱⁱⁱ	81.87 (13)	N4—C23—C24	123.2 (5)
O3ⁱⁱ—Nd1—O4ⁱⁱⁱ	74.25 (12)	N4—C23—H23	118.4
O1ⁱ—Nd1—O2W	76.30 (13)	C24—C23—H23	118.4
O7—Nd1—O2W	73.28 (12)	N1—C5—C6	123.1 (4)
O5—Nd1—O2W	70.13 (12)	N1—C5—H5	118.4
O3ⁱⁱ—Nd1—O2W	142.39 (11)	C6—C5—H5	118.4
O4ⁱⁱⁱ—Nd1—O2W	76.03 (13)	C9—C8—C12	117.4 (4)
O1ⁱ—Nd1—O2	71.79 (11)	C9—C8—C7	121.2 (4)
O7—Nd1—O2	76.91 (11)	C12—C8—C7	121.3 (4)
O5—Nd1—O2	144.23 (11)	C11—C12—C8	120.0 (4)
O3ⁱⁱ—Nd1—O2	76.96 (11)	C11—C12—H12	120.0
O4ⁱⁱⁱ—Nd1—O2	119.84 (11)	C8—C12—H12	120.0
O2W—Nd1—O2	138.99 (12)	C15—C14—C18	117.7 (5)
O1ⁱ—Nd1—O3W	141.28 (11)	C15—C14—C13	121.5 (4)
O7—Nd1—O3W	70.39 (11)	C18—C14—C13	120.7 (5)
O5—Nd1—O3W	69.53 (11)	C14—C15—C16	120.0 (5)
O3ⁱⁱ—Nd1—O3W	74.22 (11)	C14—C15—H15	120.0
O4ⁱⁱⁱ—Nd1—O3W	139.34 (12)	C16—C15—H15	120.0
O2W—Nd1—O3W	117.61 (12)	O6—C13—O5	126.3 (5)
O2—Nd1—O3W	76.51 (10)	O6—C13—C14	118.5 (4)
O1ⁱ—Nd1—H2B	75.9 (13)	O5—C13—C14	115.2 (5)
O7—Nd1—H2B	92.3 (10)	C17—C18—C14	119.1 (5)
O5—Nd1—H2B	68.0 (13)	C17—C18—H18	120.4
O3ⁱⁱ—Nd1—H2B	125.2 (6)	C14—C18—H18	120.4
O4ⁱⁱⁱ—Nd1—H2B	56.7 (5)	C23—C24—C20	120.2 (5)
O2W—Nd1—H2B	19.3 (10)	C23—C24—H24	119.9
O2—Nd1—H2B	147.1 (13)	C20—C24—H24	119.9
O3W—Nd1—H2B	129.5 (12)	C22—C21—C20	120.3 (5)
N2—Ag1—N1	178.82 (16)	C22—C21—H21	119.9
N4—Ag2—N3^iv	147.86 (15)	C20—C21—H21	119.9
C19—O7—Nd1	138.6 (3)	N3—C16—C15	122.2 (5)
C1—O2—Nd1	132.5 (3)	N3—C16—H16	118.9
C13—O5—Nd1	146.1 (3)	C15—C16—H16	118.9
C4—C3—C2	119.9 (4)	N3—C17—C18	123.8 (5)
C4—C3—H3	120.0	N3—C17—H17	118.1
C2—C3—H3	120.0	C18—C17—H17	118.1
O2—C1—O1	125.1 (4)	N1—C4—C3	122.5 (4)
O2—C1—C2	118.9 (4)	N1—C4—H4	118.7
O1—C1—C2	115.9 (4)	C3—C4—H4	118.7
C6—C2—C3	117.7 (4)	N2—C11—C12	122.4 (5)
C6—C2—C1	121.9 (4)	N2—C11—H11	118.8
C3—C2—C1	120.4 (4)	C12—C11—H11	118.8
C11—N2—C10	117.4 (4)	C1—O1—Nd1^vii	163.4 (3)
C11—N2—Ag1	121.4 (3)	O4—C7—O3	126.7 (5)
C10—N2—Ag1	121.1 (3)	O4—C7—C8	116.7 (4)
C5—N1—C4	117.4 (4)	O3—C7—C8	116.5 (4)
C5—N1—Ag1	121.4 (3)	C7—O3—Nd1^iv	135.8 (3)
C4—N1—Ag1	121.2 (3)	C7—O4—Nd1^viii	162.1 (3)
C5—C6—C2	119.3 (4)	Nd1—O3W—H3B	122 (3)
C5—C6—H6	120.4	Nd1—O3W—H3A	108 (3)
C2—C6—H6	120.4	H3B—O3W—H3A	105.7 (17)
N2—C10—C9	122.5 (4)	Nd1—O2W—H2A	122 (4)
N2—C10—H10	118.8	Nd1—O2W—H2B	59 (4)
C9—C10—H10	118.8	H2A—O2W—H2B	106 (4)
C10—C9—C8	120.3 (4)	O11—N5—O9	122.7 (7)
C10—C9—H9	119.9	O11—N5—O10	118.7 (7)
C8—C9—H9	119.9	O9—N5—O10	118.6 (6)
C24—C20—C21	116.4 (5)	C17—N3—C16	117.0 (5)
C24—C20—C19	121.2 (5)	C17—N3—Ag2ⁱⁱ	121.6 (3)
C21—C20—C19	122.3 (4)	C16—N3—Ag2ⁱⁱ	121.4 (4)
O8—C19—O7	125.8 (5)	H1A—O1W—H1B	106 (5)

Symmetry codes: (i) x, −y+3/2, z−1/2; (ii) x−1, y, z; (iii) x−1, −y+3/2, z−1/2; (iv) x+1, y, z; (v) −x+1, −y+1, −z; (vi) x, y, z−1; (vii) x, −y+3/2, z+1/2; (viii) x+1, −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—H1A···O10^ix	0.85 (3)	1.96 (2)	2.796 (8)	167 (7)
O1W—H1B···O9	0.85 (4)	2.12 (5)	2.945 (8)	164 (6)
O2W—H2A···O6	0.85 (4)	2.06 (3)	2.799 (5)	145 (5)
O2W—H2B···O4ⁱⁱⁱ	0.84 (4)	2.21 (4)	3.033 (5)	166 (5)
O3W—H3A···O8	0.85 (3)	1.87 (2)	2.653 (5)	153 (4)
O3W—H3B···O6^ix	0.85 (3)	2.11 (3)	2.951 (5)	174 (5)

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

Experimental details

Crystal data
Chemical formula	[Ag₂Nd(C₆H₄NO₂)₄(H₂O)₂]NO₃·H₂O
M_r	964.45
Crystal system, space group	Monoclinic, P2₁/c
Temperature (K)	296
a, b, c (Å)	16.9648 (19), 24.793 (3), 6.7770 (8)
β (°)	95.849 (1)
V (Å³)	2835.7 (6)
Z	4
Radiation type	Mo Kα
µ (mm⁻¹)	3.25
Crystal size (mm)	0.23 × 0.20 × 0.18

Data collection
Diffractometer	Bruker APEXII CCD
Absorption correction	Multi-scan (SADABS; Sheldrick, 1996)
T_min, T_max	0.522, 0.592
No. of measured, independent and observed [I > 2σ(I)] reflections	14629, 5092, 4024
R_int	0.043
(sin θ/λ)_max (Å⁻¹)	0.599

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.032, 0.067, 1.01
No. of reflections	5092
No. of parameters	433
No. of restraints	9
H-atom treatment	H atoms treated by a mixture of independent and constrained refinement
Δρ_max, Δρ_min (e Å⁻³)	0.57, −0.91

Computer programs: APEX2 (Bruker, 2007), SAINT (Bruker, 2007), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), DIAMOND (Brandenburg, 1999).

Selected bond lengths (Å) top

Nd1—O1ⁱ	2.381 (3)	Ag1—N1	2.155 (4)
Nd1—O2	2.502 (3)	Ag1—N2	2.155 (4)
Nd1—O3ⁱⁱ	2.426 (3)	Ag1—O1Wⁱ	2.888 (4)
Nd1—O4ⁱⁱⁱ	2.432 (3)	Ag1—O10	2.771 (5)
Nd1—O5	2.416 (3)	Ag2—N3^iv	2.200 (4)
Nd1—O7	2.406 (3)	Ag2—N4	2.184 (4)
Nd1—O2W	2.492 (4)	Ag2—O3W^v	2.741 (4)
Nd1—O3W	2.564 (3)	Ag2—O9^vi	2.950 (5)

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

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H1A···O10^vii	0.85 (3)	1.96 (2)	2.796 (8)	167 (7)
O1W—H1B···O9	0.85 (4)	2.12 (5)	2.945 (8)	164 (6)
O2W—H2A···O6	0.85 (4)	2.06 (3)	2.799 (5)	145 (5)
O2W—H2B···O4ⁱⁱⁱ	0.84 (4)	2.21 (4)	3.033 (5)	166 (5)
O3W—H3A···O8	0.85 (3)	1.87 (2)	2.653 (5)	153 (4)
O3W—H3B···O6^vii	0.85 (3)	2.11 (3)	2.951 (5)	174 (5)

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

Acknowledgements

The authors acknowledge the Key Laboratory of Technology on Electrochemical Energy Storage and Power Generation in Guangdong Universities for supporting this work.

References

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