Poly[diaqua-[μ6-4,4'-(1,4-phenyl-ene)bis-(2,6-dimethyl-pyridine-3,5-dicarboxyl-ato)]dilead(II)].

The asymmetric unit of the title Pb-based coordination polymer, [Pb2(C24H16N2O8)(H2O)2] n , consists of one Pb(II) cation, half of a 4,4'-(1,4-phenyl-ene)bis-(2,6-dimethyl-pyridine-3,5-di-carb-oxyl-ate (L (4-)) ligand and one coordinating water mol-ecule. The centers of the benzene ring of the ligand and the four-membered Pb/O/Pb/O ring are located on centers of inversion. The Pb(II) ion is coordinated in form of a distorted polyhedron by seven O atoms from four separate L (4-) ligands and by one water O atom. The PbO7 polyhedra share O atoms, forming infinite zigzag [PbO4(H2O)] n chains along [100] that are bridged by L (4-) ligands, forming a two-dimensional coordination network parallel to (001). O-H⋯O hydrogen bonds involving the water mol-ecule are observed.

Related literature

For background to metal-organic frameworks, see: Long & Yaghi (2009 ▶); Zhao et al. (2003 ▶). For related structures, see: Liu et al. (2002 ▶); O’Keeffe et al. (2008 ▶); Zhang et al. (2011 ▶). For lead complexes, see: Harrowfield et al. (2004 ▶); Yang et al. (2007 ▶). For typical Pb—O distances, see: Chen et al. (2012 ▶); Wei et al. (2005 ▶). For the photoluminescent mechanism of ligand–metal charge transfer, see: Hu et al. (2010 ▶); Zhang et al. (2012 ▶).

Experimental

Crystal data

[Pb2(C24H16N2O8)(H2O)2]

M = 910.80

Triclinic,

a = 7.2182 (12) Å

b = 9.0635 (14) Å

c = 9.9589 (15) Å

α = 79.202 (2)°

β = 71.683 (2)°

γ = 85.494 (3)°

V = 607.43 (17) Å3

Z = 1

Mo Kα radiation

μ = 13.90 mm−1

T = 298 K

0.25 × 0.23 × 0.23 mm

Data collection

Bruker SMART APEXII CCD diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 2003 ▶) T min = 0.129, T max = 0.142

3168 measured reflections

2119 independent reflections

1932 reflections with I > 2σ(I)

R int = 0.015

Refinement

R[F 2 > 2σ(F 2)] = 0.022

wR(F 2) = 0.055

S = 1.01

2119 reflections

174 parameters

H-atom parameters constrained

Δρmax = 1.15 e Å−3

Δρmin = −1.16 e Å−3

Data collection: APEX2 (Bruker, 2010 ▶); cell refinement: SAINT-Plus (Bruker, 2008) ▶; data reduction: SAINT-Plus; 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: PLATON (Spek, 2009 ▶).

Click here for additional data file.

Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S1600536813007733/im2422sup1.cif

Click here for additional data file.

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536813007733/im2422Isup2.hkl

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

[Pb2(C24H16N2O8)(H2O)2]	Z = 1
Mr = 910.80	F(000) = 422
Triclinic, P1	Dx = 2.490 Mg m−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 7.2182 (12) Å	Cell parameters from 1580 reflections
b = 9.0635 (14) Å	θ = 2.7–23.1°
c = 9.9589 (15) Å	µ = 13.90 mm−1
α = 79.202 (2)°	T = 298 K
β = 71.683 (2)°	Block, colorless
γ = 85.494 (3)°	0.25 × 0.23 × 0.23 mm
V = 607.43 (17) Å3

Bruker SMART APEXII CCD diffractometer	2119 independent reflections
Radiation source: fine-focus sealed tube	1932 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.015
phi and ω scans	θmax = 25.0°, θmin = 2.2°
Absorption correction: multi-scan (SADABS; Sheldrick, 2003)	h = −8→8
Tmin = 0.129, Tmax = 0.142	k = −10→10
3168 measured reflections	l = −10→11

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)] = 0.022	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.055	H-atom parameters constrained
S = 1.01	w = 1/[σ2(Fo2) + (0.0347P)2] where P = (Fo2 + 2Fc2)/3
2119 reflections	(Δ/σ)max < 0.001
174 parameters	Δρmax = 1.15 e Å−3
0 restraints	Δρmin = −1.16 e Å−3

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.

	x	y	z	Uiso*/Ueq
Pb1	0.24557 (3)	0.11141 (2)	0.47717 (2)	0.02892 (9)
O1	0.0452 (5)	0.9117 (4)	0.6086 (4)	0.0281 (8)
O2	0.3224 (5)	0.8538 (4)	0.6568 (5)	0.0365 (9)
O3	0.2253 (5)	0.1995 (4)	0.7194 (4)	0.0343 (9)
O4	−0.0248 (6)	0.2448 (5)	0.6332 (5)	0.0382 (10)
O5	0.3782 (6)	−0.0957 (5)	0.3132 (5)	0.0441 (11)
H1	0.4881	−0.1412	0.3019	0.066*
H2	0.2924	−0.1629	0.3379	0.066*
N1	−0.2153 (6)	0.5547 (5)	0.9379 (5)	0.0275 (10)
C1	−0.1131 (7)	0.6798 (6)	0.8704 (6)	0.0245 (11)
C2	0.0591 (7)	0.6774 (5)	0.7553 (5)	0.0220 (11)
C3	0.1282 (7)	0.5404 (6)	0.7125 (5)	0.0213 (10)
C4	0.0148 (7)	0.4140 (6)	0.7758 (5)	0.0233 (11)
C5	−0.1579 (7)	0.4255 (6)	0.8888 (6)	0.0271 (12)
C6	−0.1922 (8)	0.8214 (6)	0.9291 (6)	0.0341 (13)
H6A	−0.2907	0.8662	0.8872	0.051*
H6B	−0.0882	0.8906	0.9060	0.051*
H6C	−0.2481	0.7975	1.0315	0.051*
C7	0.1542 (7)	0.8222 (6)	0.6705 (6)	0.0242 (11)
C8	0.0752 (7)	0.2736 (6)	0.7103 (6)	0.0243 (11)
C9	−0.2867 (8)	0.2946 (7)	0.9630 (7)	0.0379 (14)
H9A	−0.2869	0.2692	1.0611	0.057*
H9B	−0.2388	0.2102	0.9154	0.057*
H9C	−0.4172	0.3203	0.9603	0.057*
C10	0.3206 (7)	0.5253 (5)	0.5999 (5)	0.0192 (10)
C11	0.3313 (7)	0.5098 (6)	0.4608 (5)	0.0249 (11)
H11	0.2177	0.5160	0.4347	0.030*
C12	0.5090 (7)	0.4854 (6)	0.3615 (5)	0.0241 (11)
H12	0.5146	0.4761	0.2689	0.029*

	U11	U22	U33	U12	U13	U23
Pb1	0.02297 (13)	0.02526 (13)	0.03649 (14)	−0.00185 (8)	−0.00454 (9)	−0.00765 (9)
O1	0.0269 (19)	0.0225 (19)	0.037 (2)	−0.0014 (15)	−0.0143 (17)	−0.0010 (16)
O2	0.024 (2)	0.029 (2)	0.054 (3)	−0.0052 (16)	−0.0106 (19)	−0.0020 (18)
O3	0.034 (2)	0.029 (2)	0.044 (2)	0.0113 (17)	−0.0165 (19)	−0.0119 (18)
O4	0.030 (2)	0.036 (2)	0.056 (3)	0.0017 (17)	−0.017 (2)	−0.022 (2)
O5	0.029 (2)	0.048 (3)	0.059 (3)	0.0011 (19)	−0.013 (2)	−0.021 (2)
N1	0.021 (2)	0.031 (3)	0.026 (2)	0.0005 (19)	0.0000 (19)	−0.008 (2)
C1	0.020 (3)	0.027 (3)	0.026 (3)	0.002 (2)	−0.006 (2)	−0.008 (2)
C2	0.021 (2)	0.018 (3)	0.027 (3)	0.002 (2)	−0.009 (2)	−0.004 (2)
C3	0.020 (2)	0.026 (3)	0.018 (2)	0.002 (2)	−0.006 (2)	−0.005 (2)
C4	0.023 (3)	0.022 (3)	0.024 (3)	0.001 (2)	−0.007 (2)	−0.005 (2)
C5	0.021 (3)	0.033 (3)	0.027 (3)	−0.001 (2)	−0.009 (2)	−0.002 (2)
C6	0.031 (3)	0.029 (3)	0.037 (3)	0.006 (2)	0.000 (3)	−0.014 (2)
C7	0.024 (3)	0.019 (3)	0.027 (3)	0.001 (2)	−0.001 (2)	−0.007 (2)
C8	0.020 (3)	0.021 (3)	0.027 (3)	0.002 (2)	−0.002 (2)	−0.003 (2)
C9	0.030 (3)	0.034 (3)	0.041 (4)	−0.006 (3)	0.001 (3)	−0.003 (3)
C10	0.018 (2)	0.017 (2)	0.020 (2)	0.0026 (19)	−0.003 (2)	−0.0028 (19)
C11	0.020 (2)	0.028 (3)	0.029 (3)	0.001 (2)	−0.011 (2)	−0.005 (2)
C12	0.023 (3)	0.030 (3)	0.019 (3)	0.001 (2)	−0.005 (2)	−0.004 (2)

Pb1—O1i	2.327 (4)	C2—C3	1.393 (7)
Pb1—O4	2.472 (4)	C2—C7	1.507 (7)
Pb1—O1ii	2.538 (3)	C3—C4	1.390 (7)
Pb1—O3	2.638 (4)	C3—C10	1.501 (7)
Pb1—O5	2.644 (4)	C4—C5	1.405 (7)
O3—C8	1.248 (6)	C5—C9	1.494 (8)
O4—C8	1.277 (7)	C6—H6A	0.9600
C8—C4	1.510 (7)	C6—H6B	0.9600
O1—C7	1.294 (6)	C6—H6C	0.9600
O1—Pb1iii	2.327 (4)	C9—H9A	0.9600
O1—Pb1ii	2.538 (3)	C9—H9B	0.9600
N1—C5	1.338 (7)	C9—H9C	0.9600
N1—C1	1.348 (7)	C10—C12iv	1.391 (7)
O2—C7	1.230 (6)	C10—C11	1.395 (7)
O5—H1	0.8500	C11—C12	1.383 (7)
O5—H2	0.8500	C11—H11	0.9300
C1—C2	1.403 (7)	C12—C10iv	1.391 (7)
C1—C6	1.507 (7)	C12—H12	0.9300
O1i—Pb1—O4	79.28 (13)	C3—C4—C5	119.1 (5)
O1i—Pb1—O1ii	66.21 (14)	C3—C4—C8	117.7 (4)
O4—Pb1—O1ii	75.30 (12)	C5—C4—C8	122.9 (5)
O1i—Pb1—O3	89.30 (13)	N1—C5—C4	121.7 (5)
O4—Pb1—O3	51.16 (12)	N1—C5—C9	116.0 (5)
O1ii—Pb1—O3	124.84 (11)	C4—C5—C9	122.3 (5)
O1i—Pb1—O5	78.92 (13)	C1—C6—H6A	109.5
O4—Pb1—O5	151.48 (13)	C1—C6—H6B	109.5
O1ii—Pb1—O5	79.19 (12)	H6A—C6—H6B	109.5
O3—Pb1—O5	146.08 (13)	C1—C6—H6C	109.5
C8—O3—Pb1	87.8 (3)	H6A—C6—H6C	109.5
C8—O4—Pb1	94.7 (3)	H6B—C6—H6C	109.5
O3—C8—O4	122.3 (5)	O2—C7—O1	121.6 (5)
O3—C8—C4	121.6 (5)	O2—C7—C2	124.0 (5)
O4—C8—C4	115.8 (4)	O1—C7—C2	114.4 (4)
C7—O1—Pb1iii	104.5 (3)	C5—C9—H9A	109.5
C7—O1—Pb1ii	136.9 (3)	C5—C9—H9B	109.5
Pb1iii—O1—Pb1ii	113.79 (14)	H9A—C9—H9B	109.5
C5—N1—C1	119.3 (4)	C5—C9—H9C	109.5
Pb1—O5—H1	125.1	H9A—C9—H9C	109.5
Pb1—O5—H2	107.8	H9B—C9—H9C	109.5
H1—O5—H2	106.8	C12iv—C10—C11	119.3 (4)
N1—C1—C2	122.0 (5)	C12iv—C10—C3	118.9 (4)
N1—C1—C6	115.8 (5)	C11—C10—C3	121.6 (4)
C2—C1—C6	122.2 (5)	C12—C11—C10	120.7 (5)
C3—C2—C1	118.6 (5)	C12—C11—H11	119.7
C3—C2—C7	120.8 (5)	C10—C11—H11	119.7
C1—C2—C7	120.2 (4)	C11—C12—C10iv	120.0 (5)
C4—C3—C2	118.8 (5)	C11—C12—H12	120.0
C4—C3—C10	119.1 (4)	C10iv—C12—H12	120.0
C2—C3—C10	122.1 (5)

D—H···A	D—H	H···A	D···A	D—H···A
O5—H2···O4v	0.85	2.04	2.834 (6)	155
O5—H1···O3vi	0.85	2.05	2.879 (5)	165

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O5—H2⋯O4i	0.85	2.04	2.834 (6)	155
O5—H1⋯O3ii	0.85	2.05	2.879 (5)	165

Symmetry codes: (i) ; (ii) .