catena-Poly[1,1'-dimethyl-4,4'-(ethane-1,2-di-yl)dipyridinium [lead(II)-tri-μ-iodido-lead(II)-tri-μ-iodido]].

The title compound, {(C(14)H(18)N(2))[Pb(2)I(6)]}(n), consists of discrete 1,1'-dimethyl-4,4'-(ethane-1,2-di-yl)dipyridinium cations and one-dimensional [Pb(2)I(6)](n) anions. The organic cation has an inversion center at the mid-point of the ethane C-C bond. In the anion, the Pb(II) atom is coordinated by six I atoms in a distorted octa-hedral geometry. The I atoms bridge the Pb(II) atoms into a polymeric chain running along [001]. These inorganic chains are separated by the isolated organic cations.

Related literature

For general background to the applications of metal halides, see: Jin et al. (2011 ▶); Manjunatha et al. (2011 ▶). For bond-length data, see: Lemmerer & Billing (2006 ▶).

Experimental

Crystal data

(C14H18N2)[Pb2I6]

M = 1390.08

Monoclinic,

a = 10.120 (6) Å

b = 17.575 (10) Å

c = 8.025 (4) Å

β = 101.239 (10)°

V = 1399.9 (13) Å3

Z = 2

Mo Kα radiation

μ = 18.63 mm−1

T = 296 K

0.25 × 0.20 × 0.19 mm

Data collection

Bruker APEXII CCD diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2001 ▶) T min = 0.016, T max = 0.030

22768 measured reflections

3425 independent reflections

2838 reflections with I > 2σ(I)

R int = 0.038

Refinement

R[F 2 > 2σ(F 2)] = 0.022

wR(F 2) = 0.046

S = 1.02

3425 reflections

109 parameters

H-atom parameters constrained

Δρmax = 0.79 e Å−3

Δρmin = −1.16 e Å−3

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

Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S160053681102006X/hy2435sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S160053681102006X/hy2435Isup2.hkl

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

(C14H18N2)[Pb2I6]	F(000) = 1196
Mr = 1390.08	Dx = 3.298 Mg m−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 3425 reflections
a = 10.120 (6) Å	θ = 1.0–28.2°
b = 17.575 (10) Å	µ = 18.63 mm−1
c = 8.025 (4) Å	T = 296 K
β = 101.239 (10)°	Block, black
V = 1399.9 (13) Å3	0.25 × 0.20 × 0.19 mm
Z = 2

Bruker APEXII CCD diffractometer	3425 independent reflections
Radiation source: fine-focus sealed tube	2838 reflections with I > 2σ(I)
graphite	Rint = 0.038
φ and ω scans	θmax = 28.2°, θmin = 2.6°
Absorption correction: multi-scan (SADABS; Bruker, 2001)	h = −13→13
Tmin = 0.016, Tmax = 0.030	k = −23→23
22768 measured reflections	l = −10→10

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) = 0.046	H-atom parameters constrained
S = 1.02	w = 1/[σ2(Fo2) + (0.0121P)2 + 2.6844P] where P = (Fo2 + 2Fc2)/3
3425 reflections	(Δ/σ)max = 0.002
109 parameters	Δρmax = 0.79 e Å−3
0 restraints	Δρmin = −1.16 e Å−3

	x	y	z	Uiso*/Ueq
C1	0.3721 (5)	0.0444 (3)	0.6192 (6)	0.0475 (11)
C2	0.4292 (6)	0.1058 (4)	0.7117 (8)	0.0714 (17)
H2	0.5030	0.1300	0.6817	0.086*
C3	0.3793 (6)	0.1318 (4)	0.8467 (8)	0.0678 (16)
H3	0.4190	0.1734	0.9084	0.081*
C4	0.2127 (5)	0.0402 (3)	0.7986 (7)	0.0542 (13)
H4	0.1365	0.0184	0.8274	0.065*
C5	0.2599 (5)	0.0132 (3)	0.6641 (7)	0.0495 (12)
H5	0.2158	−0.0269	0.6011	0.059*
C6	0.2247 (6)	0.1251 (4)	1.0451 (8)	0.0715 (17)
H6A	0.1488	0.0950	1.0604	0.107*
H6B	0.1983	0.1775	1.0303	0.107*
H6C	0.2955	0.1202	1.1433	0.107*
C7	0.4287 (5)	0.0148 (3)	0.4740 (6)	0.0538 (12)
H7A	0.4275	0.0552	0.3913	0.065*
H7B	0.3715	−0.0259	0.4194	0.065*
N1	0.2741 (4)	0.0979 (2)	0.8906 (5)	0.0521 (10)
I1	0.84206 (3)	0.106359 (17)	0.85470 (4)	0.04934 (8)
I2	1.04264 (4)	0.16980 (2)	0.40344 (5)	0.06218 (11)
I3	0.60383 (3)	0.190241 (18)	0.29726 (4)	0.04830 (8)
Pb1	0.835213 (18)	0.251424 (10)	0.60612 (2)	0.04107 (5)

	U11	U22	U33	U12	U13	U23
C1	0.043 (3)	0.050 (3)	0.047 (3)	−0.010 (2)	0.003 (2)	0.003 (2)
C2	0.060 (3)	0.092 (4)	0.068 (4)	−0.031 (3)	0.027 (3)	−0.018 (3)
C3	0.059 (3)	0.084 (4)	0.064 (4)	−0.027 (3)	0.019 (3)	−0.027 (3)
C4	0.041 (3)	0.052 (3)	0.072 (4)	−0.003 (2)	0.016 (3)	0.009 (3)
C5	0.043 (3)	0.040 (2)	0.067 (3)	−0.0040 (19)	0.012 (2)	0.000 (2)
C6	0.054 (3)	0.102 (5)	0.061 (4)	0.011 (3)	0.019 (3)	−0.008 (3)
C7	0.053 (3)	0.064 (3)	0.044 (3)	−0.017 (2)	0.008 (2)	−0.004 (2)
N1	0.045 (2)	0.063 (3)	0.048 (3)	0.0076 (19)	0.0089 (19)	0.003 (2)
I1	0.05674 (19)	0.04184 (15)	0.04717 (19)	−0.00310 (13)	0.00453 (14)	−0.00125 (13)
I2	0.0597 (2)	0.0799 (2)	0.0471 (2)	0.02966 (18)	0.01069 (16)	0.00598 (17)
I3	0.04488 (17)	0.05507 (18)	0.04462 (18)	−0.00848 (13)	0.00792 (13)	0.00162 (14)
Pb1	0.04505 (10)	0.04862 (10)	0.02984 (9)	−0.00104 (7)	0.00803 (7)	−0.00048 (7)

C1—C5	1.371 (6)	C6—H6A	0.9600
C1—C2	1.372 (7)	C6—H6B	0.9600
C1—C7	1.489 (7)	C6—H6C	0.9600
C2—C3	1.361 (8)	C7—C7i	1.514 (10)
C2—H2	0.9300	C7—H7A	0.9700
C3—N1	1.326 (7)	C7—H7B	0.9700
C3—H3	0.9300	Pb1—I1	3.2296 (13)
C4—N1	1.334 (6)	Pb1—I1ii	3.2214 (13)
C4—C5	1.349 (7)	Pb1—I2	3.2311 (11)
C4—H4	0.9300	Pb1—I2iii	3.1724 (11)
C5—H5	0.9300	Pb1—I3	3.2435 (12)
C6—N1	1.502 (7)	Pb1—I3iii	3.2073 (12)
C5—C1—C2	117.1 (5)	C1—C7—H7B	108.9
C5—C1—C7	122.1 (4)	C7i—C7—H7B	108.9
C2—C1—C7	120.8 (4)	H7A—C7—H7B	107.7
C3—C2—C1	120.8 (5)	C3—N1—C4	120.4 (5)
C3—C2—H2	119.6	C3—N1—C6	119.3 (5)
C1—C2—H2	119.6	C4—N1—C6	120.3 (4)
N1—C3—C2	120.2 (5)	Pb1iii—I1—Pb1	76.93 (4)
N1—C3—H3	119.9	Pb1ii—I2—Pb1	77.60 (4)
C2—C3—H3	119.9	Pb1ii—I3—Pb1	76.93 (4)
N1—C4—C5	120.7 (5)	I2iii—Pb1—I3iii	86.47 (4)
N1—C4—H4	119.6	I2iii—Pb1—I1ii	92.33 (4)
C5—C4—H4	119.6	I3iii—Pb1—I1ii	99.11 (3)
C4—C5—C1	120.7 (5)	I2iii—Pb1—I1	87.05 (4)
C4—C5—H5	119.6	I3iii—Pb1—I1	83.49 (3)
C1—C5—H5	119.6	I1ii—Pb1—I1	177.283 (13)
N1—C6—H6A	109.5	I2iii—Pb1—I2	99.95 (4)
N1—C6—H6B	109.5	I3iii—Pb1—I2	171.539 (12)
H6A—C6—H6B	109.5	I1ii—Pb1—I2	86.20 (3)
N1—C6—H6C	109.5	I1—Pb1—I2	91.30 (1)
H6A—C6—H6C	109.5	I2iii—Pb1—I3	173.097 (12)
H6B—C6—H6C	109.5	I3iii—Pb1—I3	89.19 (4)
C1—C7—C7i	113.3 (5)	I1ii—Pb1—I3	83.05 (3)
C1—C7—H7A	108.9	I1—Pb1—I3	97.80 (1)
C7i—C7—H7A	108.9	I2—Pb1—I3	84.91 (1)
C5—C1—C2—C3	3.0 (9)	Pb1iii—I1—Pb1—I2iii	41.42 (2)
C7—C1—C2—C3	−178.5 (6)	Pb1iii—I1—Pb1—I3iii	−45.363 (18)
C1—C2—C3—N1	−0.1 (10)	Pb1iii—I1—Pb1—I2	141.321 (18)
N1—C4—C5—C1	0.1 (8)	Pb1iii—I1—Pb1—I3	−133.64 (2)
C2—C1—C5—C4	−3.0 (8)	Pb1ii—I2—Pb1—I2iii	−133.01 (3)
C7—C1—C5—C4	178.6 (5)	Pb1ii—I2—Pb1—I1ii	−41.307 (16)
C5—C1—C7—C7i	−118.8 (6)	Pb1ii—I2—Pb1—I1	139.759 (16)
C2—C1—C7—C7i	62.9 (8)	Pb1ii—I2—Pb1—I3	42.04 (2)
C2—C3—N1—C4	−3.0 (9)	Pb1ii—I3—Pb1—I3iii	144.45 (2)
C2—C3—N1—C6	177.1 (6)	Pb1ii—I3—Pb1—I1ii	45.168 (14)
C5—C4—N1—C3	3.0 (8)	Pb1ii—I3—Pb1—I1	−132.231 (15)
C5—C4—N1—C6	−177.1 (5)	Pb1ii—I3—Pb1—I2	−41.62 (2)

Table 1

Selected bond lengths (Å)

Pb1—I1	3.2296 (13)
Pb1—I1i	3.2214 (13)
Pb1—I2	3.2311 (11)
Pb1—I2ii	3.1724 (11)
Pb1—I3	3.2435 (12)
Pb1—I3ii	3.2073 (12)

Symmetry codes: (i) ; (ii) .