Poly[di-μ3-acetato-μ8-(naphthalene-1,5-disulfonato)-dilead(II)]

Gao, S.; Ng, S.W.

doi:10.1107/S160053681201834X

metal-organic compounds

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ISSN: 2056-9890

Volume 68| Part 5| May 2012| Page m707

doi:10.1107/S160053681201834X

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Poly[di-μ₃-acetato-μ₈-(naphthalene-1,5-disulfonato)-dilead(II)]

Shan Gao ^a and Seik Weng Ng ^b,^c ^*

^aKey Laboratory of Functional Inorganic Material Chemistry, Ministry of Education, Heilongjiang University, Harbin 150080, People's Republic of China, ^bDepartment of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia, and ^cChemistry Department, Faculty of Science, King Abdulaziz University, PO Box 80203 Jeddah, Saudi Arabia
^*Correspondence e-mail: seikweng@um.edu.my

(Received 23 April 2012; accepted 24 April 2012; online 28 April 2012)

In the polymeric title complex, [Pb₂(CH₃CO₂)₂(C₁₀H₆O₆S₂)]_n, the acetate anion functions in a chelating mode and both O atoms also coordinate to adjacent Pb^II atoms. The naphthalene-1,5-disulfonate dianion, which lies on a center of inversion, is connected to four Pb^II atoms. The bridging modes of the monoanion and dianion give rise to a three-dimensional coordination polymer. The Pb^II atom is eight-coordinate in the form of an undefined coordination polyhedron.

Related literature

For a review of metal arenesulfonates, see: Cai (2004 ). For an example of a μ₃-chelating acetate in a lead(II) system, see: Morsali & Mahjoub (2004 ).

Experimental

Crystal data

[Pb₂(C₂H₃O₂)₂(C₁₀H₆O₆S₂)]
M_r = 818.74
Monoclinic, P 2₁ /c
a = 10.442 (4) Å
b = 12.666 (6) Å
c = 6.803 (4) Å
β = 96.897 (19)°
V = 893.3 (7) Å³
Z = 2
Mo Kα radiation
μ = 19.11 mm⁻¹
T = 293 K
0.26 × 0.21 × 0.16 mm

Data collection

Rigaku R-AXIS RAPID IP diffractometer
Absorption correction: multi-scan (ABSCOR; Higashi, 1995 ) T_min = 0.083, T_max = 0.150
8599 measured reflections
2041 independent reflections
1922 reflections with I > 2σ(I)
R_int = 0.060

Refinement

R[F² > 2σ(F²)] = 0.030
wR(F²) = 0.076
S = 1.05
2041 reflections
129 parameters
H-atom parameters constrained
Δρ_max = 2.09 e Å⁻³
Δρ_min = −2.53 e Å⁻³

Data collection: RAPID-AUTO (Rigaku, 1998 ); cell refinement: RAPID-AUTO; data reduction: CrystalClear (Rigaku/MSC, 2002 ); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: X-SEED (Barbour, 2001 ); software used to prepare material for publication: publCIF (Westrip, 2010 ).

Supporting information

Crystal structure: contains datablocks global, I. DOI: 10.1107/S160053681201834X/xu5522sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S160053681201834X/xu5522Isup2.hkl

checkCIF report

Comment top

Metal arenesulfonates are generally crystalline compounds; in some, the metal is connected to the arenesulfonate by a covalent bond whereas in others, the arenesulfonate interacts indirectly with the metal center in an outer-sphere type of coordination (Cai, 2004). A lead(II) derivative of naphthalene-1,5-disulfonate is known in which the coordination number is high. This is attributed to the diverse binding modes of the sulfonate entity. In this example (Morsali & Mahjoub, 2004), the acetate ion engages in µ₃-bridging. Both features are observed in polymeric Pb₂(C₂H₃O₂)₂(C₁₀H₆O₆S₂) (Scheme I, Fig. 1). (The acetate anion is a part of the lead(II) acetate reactant.) The acetate ion functions in a chelating mode; both O atoms are further involved in coordinating to adjacent Pb^II atoms. The naphthalene-1,5-disulfonate ion lies on a center-of-inversion; the sulfonate –SO₃ group is connected to four Pb^II atoms. The bridging modes of the monoanion and dianion give rise to a three-dimensional coordination polymer (Fig. 1). The Pb^II atom is eight-coordinate in an undefined coordination geometry (Fig. 2).

Related literature top

For a review of metal arenesulfonates, see: Cai (2004). For an example of a µ₃-chelating acetate in a lead(II) system, see: Morsali & Mahjoub (2004).

Experimental top

Equal molar amounts of lead(II) acetate (1 mmol, 327 mg) and naphthalene-1,5-disulfonic acid tetrahydrate (1 mmol, 360 mg) were dissolved in water (10 ml). The solution was filtered and then set aside for the growth of crystals. Colorless crystals separated from solution after several days.

Computing details top

Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO (Rigaku, 1998); data reduction: CrystalClear (Rigaku/MSC, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: X-SEED (Barbour, 2001); software used to prepare material for publication: publCIF (Westrip, 2010).

Figures top

	Fig. 1. Thermal ellipsoid plot (Barbour, 2001) illustrating the geometry of Pb^II of polymeric Pb₂(C₂H₃O₂)₂(C₁₀H₆O₆S₂) at the 70% probability level; hydrogen atoms are drawn as spheres of arbitrary radius.
	Fig. 2. Eight-coordinate geometry of Pb^II.

Poly[di-µ₃-acetato-µ₈-(naphthalene-1,5-disulfonato)-dilead(II)] top

Crystal data top

[Pb₂(C₂H₃O₂)₂(C₁₀H₆O₆S₂)]	F(000) = 744
M_r = 818.74	D_x = 3.044 Mg m⁻³
Monoclinic, P2₁/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 7836 reflections
a = 10.442 (4) Å	θ = 3.2–27.5°
b = 12.666 (6) Å	µ = 19.11 mm⁻¹
c = 6.803 (4) Å	T = 293 K
β = 96.897 (19)°	Prism, brown
V = 893.3 (7) Å³	0.26 × 0.21 × 0.16 mm
Z = 2

Data collection top

Rigaku R-AXIS RAPID IP diffractometer	2041 independent reflections
Radiation source: fine-focus sealed tube	1922 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.060
ω scan	θ_max = 27.5°, θ_min = 3.2°
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	h = −11→13
T_min = 0.083, T_max = 0.150	k = −15→16
8599 measured reflections	l = −8→8

Refinement top

Refinement on F²	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F² > 2σ(F²)] = 0.030	H-atom parameters constrained
wR(F²) = 0.076	w = 1/[σ²(F_o²) + (0.0383P)² + 2.2119P] where P = (F_o² + 2F_c²)/3
S = 1.05	(Δ/σ)_max = 0.001
2041 reflections	Δρ_max = 2.09 e Å⁻³
129 parameters	Δρ_min = −2.53 e Å⁻³
0 restraints	Extinction correction: SHELXL97 (Sheldrick, 2008), Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.0153 (7)

Crystal data top

[Pb₂(C₂H₃O₂)₂(C₁₀H₆O₆S₂)]	V = 893.3 (7) Å³
M_r = 818.74	Z = 2
Monoclinic, P2₁/c	Mo Kα radiation
a = 10.442 (4) Å	µ = 19.11 mm⁻¹
b = 12.666 (6) Å	T = 293 K
c = 6.803 (4) Å	0.26 × 0.21 × 0.16 mm
β = 96.897 (19)°

Data collection top

Rigaku R-AXIS RAPID IP diffractometer	2041 independent reflections
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	1922 reflections with I > 2σ(I)
T_min = 0.083, T_max = 0.150	R_int = 0.060
8599 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.030	0 restraints
wR(F²) = 0.076	H-atom parameters constrained
S = 1.05	Δρ_max = 2.09 e Å⁻³
2041 reflections	Δρ_min = −2.53 e Å⁻³
129 parameters

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

	x	y	z	U_iso*/U_eq
Pb1	0.465191 (17)	0.638470 (13)	0.64777 (3)	0.01655 (12)
S1	0.30857 (11)	0.58790 (9)	0.14316 (19)	0.0152 (3)
O1	0.6125 (5)	0.5588 (3)	0.4215 (7)	0.0293 (10)
O2	0.5932 (4)	0.7294 (3)	0.3948 (6)	0.0241 (9)
O3	0.2901 (4)	0.6274 (3)	0.3396 (7)	0.0229 (9)
O4	0.3610 (4)	0.4829 (3)	0.1445 (6)	0.0233 (8)
O5	0.3804 (4)	0.6622 (3)	0.0349 (7)	0.0249 (9)
C1	0.6511 (6)	0.6459 (4)	0.3576 (9)	0.0176 (11)
C2	0.7677 (7)	0.6495 (5)	0.2497 (10)	0.0262 (13)
H2A	0.8085	0.7172	0.2692	0.039*
H2B	0.7424	0.6383	0.1110	0.039*
H2C	0.8271	0.5953	0.2999	0.039*
C3	0.1528 (5)	0.5777 (4)	0.0066 (8)	0.0171 (10)
C4	0.1285 (6)	0.6372 (4)	−0.1604 (10)	0.0237 (13)
H4	0.1892	0.6860	−0.1925	0.028*
C5	0.0110 (6)	0.6250 (5)	−0.2852 (10)	0.0286 (14)
H5	−0.0047	0.6654	−0.3997	0.034*
C6	−0.0786 (5)	0.5550 (4)	−0.2391 (9)	0.0232 (12)
H6	−0.1544	0.5466	−0.3245	0.028*
C7	−0.0591 (5)	0.4946 (4)	−0.0642 (7)	0.0149 (10)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Pb1	0.01896 (16)	0.01700 (16)	0.01406 (16)	−0.00039 (6)	0.00350 (9)	−0.00111 (6)
S1	0.0139 (5)	0.0152 (5)	0.0158 (6)	−0.0021 (4)	−0.0013 (4)	−0.0009 (4)
O1	0.042 (2)	0.0187 (18)	0.029 (3)	−0.0062 (18)	0.0096 (19)	0.0069 (17)
O2	0.027 (2)	0.0229 (18)	0.023 (2)	0.0090 (16)	0.0041 (17)	−0.0050 (16)
O3	0.019 (2)	0.0274 (19)	0.021 (2)	0.0020 (15)	−0.0027 (17)	−0.0056 (15)
O4	0.0222 (18)	0.0194 (17)	0.027 (2)	0.0057 (15)	−0.0022 (16)	−0.0030 (16)
O5	0.0185 (19)	0.0312 (19)	0.025 (2)	−0.0104 (17)	0.0004 (17)	0.0063 (18)
C1	0.020 (3)	0.018 (2)	0.014 (3)	0.0008 (18)	0.000 (2)	0.0008 (18)
C2	0.029 (3)	0.032 (3)	0.020 (3)	0.000 (2)	0.012 (3)	0.001 (2)
C3	0.013 (2)	0.017 (2)	0.021 (3)	0.0008 (19)	0.0000 (19)	−0.003 (2)
C4	0.023 (3)	0.025 (3)	0.024 (3)	−0.0028 (19)	0.004 (2)	0.010 (2)
C5	0.027 (3)	0.034 (3)	0.023 (3)	−0.007 (2)	−0.005 (3)	0.017 (2)
C6	0.020 (3)	0.029 (3)	0.018 (3)	−0.002 (2)	−0.007 (2)	0.006 (2)
C7	0.016 (2)	0.016 (2)	0.012 (3)	0.0002 (18)	0.0012 (19)	−0.0014 (18)

Geometric parameters (Å, º) top

Pb1—O1	2.515 (5)	O4—Pb1ⁱ	2.653 (4)
Pb1—O1ⁱ	2.652 (4)	O5—Pb1^iv	2.754 (4)
Pb1—O2	2.574 (5)	C1—C2	1.496 (9)
Pb1—O2ⁱⁱ	2.622 (4)	C2—H2A	0.9600
Pb1—O3	2.615 (4)	C2—H2B	0.9600
Pb1—O4ⁱ	2.653 (4)	C2—H2C	0.9600
Pb1—O5ⁱⁱⁱ	2.893 (5)	C3—C4	1.361 (8)
Pb1—O5ⁱⁱ	2.754 (4)	C3—C7^v	1.429 (7)
S1—O4	1.438 (4)	C4—C5	1.414 (9)
S1—O5	1.457 (4)	C4—H4	0.9300
S1—O3	1.461 (5)	C5—C6	1.353 (8)
S1—C3	1.778 (5)	C5—H5	0.9300
O1—C1	1.269 (6)	C6—C7	1.409 (7)
O1—Pb1ⁱ	2.652 (4)	C6—H6	0.9300
O2—C1	1.259 (6)	C7—C3^v	1.429 (7)
O2—Pb1^iv	2.622 (4)	C7—C7^v	1.431 (9)

O1—Pb1—O2	50.61 (14)	C1—O1—Pb1	95.9 (4)
O1—Pb1—O3	84.72 (15)	C1—O1—Pb1ⁱ	149.4 (4)
O2—Pb1—O3	81.78 (14)	Pb1—O1—Pb1ⁱ	106.87 (16)
O1—Pb1—O2ⁱⁱ	110.26 (14)	C1—O2—Pb1	93.4 (4)
O2—Pb1—O2ⁱⁱ	82.95 (9)	C1—O2—Pb1^iv	128.9 (4)
O3—Pb1—O2ⁱⁱ	143.29 (12)	Pb1—O2—Pb1^iv	116.65 (15)
O1—Pb1—O1ⁱ	73.13 (16)	S1—O3—Pb1	126.5 (2)
O2—Pb1—O1ⁱ	118.36 (13)	S1—O4—Pb1ⁱ	140.8 (2)
O3—Pb1—O1ⁱ	68.75 (13)	S1—O5—Pb1^iv	128.3 (3)
O2ⁱⁱ—Pb1—O1ⁱ	146.84 (12)	O2—C1—O1	118.8 (6)
O1—Pb1—O4ⁱ	70.34 (14)	O2—C1—C2	120.8 (5)
O2—Pb1—O4ⁱ	103.77 (13)	O1—C1—C2	120.4 (5)
O3—Pb1—O4ⁱ	139.81 (11)	C1—C2—H2A	109.5
O2ⁱⁱ—Pb1—O4ⁱ	76.41 (13)	C1—C2—H2B	109.5
O1ⁱ—Pb1—O4ⁱ	73.99 (13)	H2A—C2—H2B	109.5
O1—Pb1—O5ⁱⁱ	113.41 (13)	C1—C2—H2C	109.5
O2—Pb1—O5ⁱⁱ	65.11 (12)	H2A—C2—H2C	109.5
O3—Pb1—O5ⁱⁱ	69.81 (12)	H2B—C2—H2C	109.5
O2ⁱⁱ—Pb1—O5ⁱⁱ	73.47 (12)	C4—C3—C7^v	121.2 (5)
O1ⁱ—Pb1—O5ⁱⁱ	137.12 (15)	C4—C3—S1	117.6 (4)
O4ⁱ—Pb1—O5ⁱⁱ	148.89 (12)	C7^v—C3—S1	121.1 (4)
O1—Pb1—O5ⁱⁱⁱ	151.11 (12)	C3—C4—C5	120.2 (5)
O2—Pb1—O5ⁱⁱⁱ	143.35 (12)	C3—C4—H4	119.9
O3—Pb1—O5ⁱⁱⁱ	118.32 (14)	C5—C4—H4	119.9
O2ⁱⁱ—Pb1—O5ⁱⁱⁱ	62.50 (12)	C6—C5—C4	120.5 (6)
O1ⁱ—Pb1—O5ⁱⁱⁱ	98.00 (13)	C6—C5—H5	119.8
O4ⁱ—Pb1—O5ⁱⁱⁱ	80.81 (13)	C4—C5—H5	119.8
O5ⁱⁱ—Pb1—O5ⁱⁱⁱ	92.01 (12)	C5—C6—C7	121.2 (5)
O4—S1—O5	112.5 (3)	C5—C6—H6	119.4
O4—S1—O3	113.8 (2)	C7—C6—H6	119.4
O5—S1—O3	111.9 (3)	C6—C7—C3^v	123.1 (4)
O4—S1—C3	105.1 (2)	C6—C7—C7^v	119.3 (6)
O5—S1—C3	106.0 (2)	C3^v—C7—C7^v	117.6 (6)
O3—S1—C3	106.9 (3)

O2—Pb1—O1—C1	6.4 (3)	O2—Pb1—O3—S1	50.2 (3)
O3—Pb1—O1—C1	90.1 (4)	O2ⁱⁱ—Pb1—O3—S1	116.6 (3)
O2ⁱⁱ—Pb1—O1—C1	−55.4 (4)	O1ⁱ—Pb1—O3—S1	−74.6 (3)
O1ⁱ—Pb1—O1—C1	159.4 (4)	O4ⁱ—Pb1—O3—S1	−51.4 (4)
O4ⁱ—Pb1—O1—C1	−122.0 (4)	O5ⁱⁱ—Pb1—O3—S1	116.6 (3)
O5ⁱⁱ—Pb1—O1—C1	24.7 (4)	O5ⁱⁱⁱ—Pb1—O3—S1	−162.3 (2)
O5ⁱⁱⁱ—Pb1—O1—C1	−125.0 (3)	O5—S1—O4—Pb1ⁱ	88.6 (4)
O2—Pb1—O1—Pb1ⁱ	−153.0 (2)	O3—S1—O4—Pb1ⁱ	−39.9 (5)
O3—Pb1—O1—Pb1ⁱ	−69.36 (16)	C3—S1—O4—Pb1ⁱ	−156.4 (4)
O2ⁱⁱ—Pb1—O1—Pb1ⁱ	145.14 (13)	O4—S1—O5—Pb1^iv	−133.6 (3)
O1ⁱ—Pb1—O1—Pb1ⁱ	0.0	O3—S1—O5—Pb1^iv	−4.0 (4)
O4ⁱ—Pb1—O1—Pb1ⁱ	78.59 (16)	C3—S1—O5—Pb1^iv	112.1 (3)
O5ⁱⁱ—Pb1—O1—Pb1ⁱ	−134.68 (15)	Pb1—O2—C1—O1	11.2 (6)
O5ⁱⁱⁱ—Pb1—O1—Pb1ⁱ	75.6 (3)	Pb1^iv—O2—C1—O1	−117.4 (5)
O1—Pb1—O2—C1	−6.4 (3)	Pb1—O2—C1—C2	−165.4 (5)
O3—Pb1—O2—C1	−96.3 (3)	Pb1^iv—O2—C1—C2	65.9 (7)
O2ⁱⁱ—Pb1—O2—C1	117.2 (3)	Pb1—O1—C1—O2	−11.5 (6)
O1ⁱ—Pb1—O2—C1	−35.9 (4)	Pb1ⁱ—O1—C1—O2	127.1 (7)
O4ⁱ—Pb1—O2—C1	43.1 (3)	Pb1—O1—C1—C2	165.1 (5)
O5ⁱⁱ—Pb1—O2—C1	−167.8 (4)	Pb1ⁱ—O1—C1—C2	−56.3 (10)
O5ⁱⁱⁱ—Pb1—O2—C1	136.2 (3)	O4—S1—C3—C4	−120.1 (5)
O1—Pb1—O2—Pb1^iv	130.8 (2)	O5—S1—C3—C4	−0.8 (5)
O3—Pb1—O2—Pb1^iv	40.84 (16)	O3—S1—C3—C4	118.7 (5)
O2ⁱⁱ—Pb1—O2—Pb1^iv	−105.7 (2)	O4—S1—C3—C7^v	56.5 (5)
O1ⁱ—Pb1—O2—Pb1^iv	101.22 (19)	O5—S1—C3—C7^v	175.8 (4)
O4ⁱ—Pb1—O2—Pb1^iv	−179.76 (14)	O3—S1—C3—C7^v	−64.7 (5)
O5ⁱⁱ—Pb1—O2—Pb1^iv	−30.66 (15)	C7^v—C3—C4—C5	−2.7 (9)
O5ⁱⁱⁱ—Pb1—O2—Pb1^iv	−86.7 (2)	S1—C3—C4—C5	173.9 (5)
O4—S1—O3—Pb1	54.8 (3)	C3—C4—C5—C6	0.6 (10)
O5—S1—O3—Pb1	−74.1 (3)	C4—C5—C6—C7	1.7 (10)
C3—S1—O3—Pb1	170.2 (2)	C5—C6—C7—C3^v	177.9 (6)
O1—Pb1—O3—S1	−0.7 (3)	C5—C6—C7—C7^v	−1.8 (10)

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

Experimental details

Crystal data
Chemical formula	[Pb₂(C₂H₃O₂)₂(C₁₀H₆O₆S₂)]
M_r	818.74
Crystal system, space group	Monoclinic, P2₁/c
Temperature (K)	293
a, b, c (Å)	10.442 (4), 12.666 (6), 6.803 (4)
β (°)	96.897 (19)
V (Å³)	893.3 (7)
Z	2
Radiation type	Mo Kα
µ (mm⁻¹)	19.11
Crystal size (mm)	0.26 × 0.21 × 0.16

Data collection
Diffractometer	Rigaku R-AXIS RAPID IP diffractometer
Absorption correction	Multi-scan (ABSCOR; Higashi, 1995)
T_min, T_max	0.083, 0.150
No. of measured, independent and observed [I > 2σ(I)] reflections	8599, 2041, 1922
R_int	0.060
(sin θ/λ)_max (Å⁻¹)	0.649

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.030, 0.076, 1.05
No. of reflections	2041
No. of parameters	129
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	2.09, −2.53

Computer programs: RAPID-AUTO (Rigaku, 1998), CrystalClear (Rigaku/MSC, 2002), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), X-SEED (Barbour, 2001), publCIF (Westrip, 2010).

Acknowledgements

This work was supported by the Key Project of the Natural Science Foundation of Heilongjiang Province (No. ZD200903), the Key Project of the Education Bureau of Heilongjiang Province (Nos. 12511z023, 2011CJHB006), the Innovation Team of the Education Bureau of Heilongjiang Province (No. 2010 t d03), Heilongjiang University (Hdtd2010–04), and the Ministry of Higher Education of Malaysia (grant No. UM.C/HIR/MOHE/SC/12).

References

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