Linear-chain bis(μ-O,O′-di­methyl di­thio­phosphato)­lead(II)

The title compound, [Pb(C₂H₆O₂PS₂)₂], has a twofold rotation axis passing through the Pb atom along the b axis. One of the two unique S atoms in a formula unit and its symmetry-equivalent S atom bridge two adjacent Pb atoms, forming a polymeric linear chain along the c axis. The Pb atom is coordinated by six S atoms in a distorted octahedral arrangement. The six Pb—S distances are in the range 2.860 (2)–3.145 (2) Å, with an average of 3.01 (8) Å.

Key indicators

• Single-crystal X-ray study
• T = 296 K
• Mean [sigma](O-C) = 0.012 Å
• R factor = 0.029
• wR factor = 0.028
• Data-to-parameter ratio = 13.4

checkCIF/PLATON results

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Computing details

Data collection: MSC/AFC Diffractometer Control Software (Molecular Structure Corporation, 1988); cell refinement: MSC/AFC Diffractometer Control Software; data reduction: CrystalStructure (Rigaku/MSC, 2002); program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: CrystalStructure; molecular graphics: ORTEPIII (Burnett & Johnson, 1996); software used to prepare material for publication: CrystalStructure.

(I)

Crystal data

[Pb(C2H6O2PS2)2]	F(000) = 976.00
Mr = 521.56	Dx = 2.299 Mg m^−3 Dm = 2.292 Mg m^−3 Dm measured by flotation in zinc iodide (aq)
Orthorhombic, Pbcn	Mo Kα radiation, λ = 0.7107 Å
Hall symbol: -P 2n 2ab	Cell parameters from 25 reflections
a = 17.738 (3) Å	θ = 15.9–16.5°
b = 9.218 (2) Å	µ = 11.97 mm^−1
c = 9.216 (1) Å	T = 296 K
V = 1506.9 (4) Å^3	Prism, colorless
Z = 4	0.16 × 0.12 × 0.12 mm

Data collection

Rigaku AFC-5S diffractometer	Rint = 0.007
ω–2θ scans	θmax = 27.5°
Absorption correction: ψ scan (North et al., 1968)	h = 0→23
Tmin = 0.146, Tmax = 0.238	k = 0→11
1834 measured reflections	l = −11→0
1727 independent reflections	3 standard reflections every 150 reflections
1005 reflections with I > 3σ(I)	intensity decay: 0.2%

Refinement

Refinement on F	H-atom parameters constrained
R[F^2 > 2σ(F^2)] = 0.029	Weighting scheme based on measured s.u.'s w = 1/σ^2(Fo)
wR(F^2) = 0.028	(Δ/σ)max < 0.001
S = 1.26	Δρmax = 1.40 e Å^−3
1005 reflections	Δρmin = −0.92 e Å^−3
75 parameters

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Pb	0.5000	0.05754 (4)	0.2500	0.0338 (1)
S1	0.5723 (1)	0.3019 (2)	0.3809 (3)	0.0502 (7)
S2	0.6106 (1)	−0.0356 (2)	0.5000 (3)	0.0419 (6)
P1	0.6232 (1)	0.1771 (2)	0.5251 (2)	0.0394 (6)
O1	0.5927 (4)	0.2082 (6)	0.6837 (6)	0.059 (2)
O2	0.7088 (4)	0.2244 (7)	0.5263 (7)	0.064 (2)
C1	0.5997 (8)	0.3512 (9)	0.751 (1)	0.094 (4)
C2	0.7615 (6)	0.149 (1)	0.620 (1)	0.107 (5)
H1	0.6516	0.3752	0.758	0.113*
H2	0.5745	0.4215	0.694	0.113*
H3	0.5781	0.3497	0.846	0.113*
H4	0.7449	0.157	0.718	0.128*
H5	0.7627	0.050	0.593	0.128*
H6	0.8106	0.189	0.612	0.128*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Pb	0.0403 (2)	0.0318 (2)	0.0292 (2)	0.0000	0.0020 (4)	0.0000
S1	0.068 (2)	0.034 (1)	0.049 (1)	−0.012 (1)	−0.015 (1)	0.010 (1)
S2	0.047 (1)	0.035 (1)	0.044 (1)	0.0048 (9)	−0.001 (1)	−0.001 (1)
P1	0.045 (1)	0.039 (1)	0.034 (1)	−0.012 (1)	−0.005 (1)	0.004 (1)
O1	0.103 (6)	0.041 (3)	0.032 (3)	−0.023 (4)	0.009 (4)	−0.008 (3)
O2	0.047 (4)	0.069 (4)	0.077 (5)	−0.023 (4)	−0.010 (4)	0.023 (4)
C1	0.17 (1)	0.052 (6)	0.064 (6)	−0.033 (7)	0.00 (1)	−0.026 (7)
C2	0.055 (8)	0.13 (1)	0.14 (1)	−0.024 (8)	−0.045 (9)	0.05 (1)

Geometric parameters (Å, º)

Pb—S1	2.860 (2)	P1—O2	1.579 (7)
Pb—S1^i	2.860 (2)	O1—C1	1.463 (9)
Pb—S2	3.145 (2)	O2—C2	1.452 (11)
Pb—S2^i	3.145 (2)	C1—H1	0.95
Pb—S2^ii	3.033 (2)	C1—H2	0.95
Pb—S2^iii	3.033 (2)	C1—H3	0.95
S1—P1	1.976 (3)	C2—H4	0.95
S2—P1	1.987 (3)	C2—H5	0.95
P1—O1	1.585 (6)	C2—H6	0.95
Pb···O1^ii	3.012 (6)	S1···C1^iv	3.448 (9)
Pb···O1^iii	3.012 (6)	S2···O1^iii	3.336 (6)
S1—Pb—S1^i	76.0 (1)	S2—P1—O1	104.3 (3)
S1—Pb—S2	68.04 (6)	S1—P1—O2	106.4 (3)
S1—Pb—S2^ii	91.28 (6)	S2—P1—O2	112.4 (3)
S1—Pb—S2^iii	94.75 (7)	O1—P1—O2	105.8 (4)
S1—Pb—S2^i	143.50 (6)	P1—O1—C1	121.7 (6)
S1^i—Pb—S2	143.50 (6)	P1—O2—C2	119.4 (6)
S1^i—Pb—S2^i	68.04 (6)	O1—C1—H1	108.7
S1^i—Pb—S2^ii	94.75 (7)	O1—C1—H2	109.7
S1^i—Pb—S2^iii	91.28 (6)	H1—C1—H2	109.5
S2—Pb—S2^ii	80.14 (7)	O1—C1—H3	110.0
S2—Pb—S2^i	148.33 (7)	H1—C1—H3	109.5
S2—Pb—S2^iii	97.75 (6)	H2—C1—H3	109.5
S2^ii—Pb—S2^iii	172.34 (7)	O2—C2—H4	109.3
S2^ii—Pb—S2^i	97.75 (6)	O2—C2—H5	108.5
S2^iii—Pb—S2^i	80.14 (7)	H4—C2—H5	109.5
Pb—S1—P1	91.7 (1)	O2—C2—H6	110.7
Pb—S2—P1	83.47 (9)	H4—C2—H6	109.5
S1—P1—S2	116.42 (14)	H5—C2—H6	109.5
S1—P1—O1	111.0 (3)
Pb—S1—P1—S2	6.0 (2)	S1—P1—O2—C2	−178.6 (9)
Pb—S1—P1—O1	−113.2 (4)	S2—P1—O2—C2	−50.0 (7)
Pb—S1—P1—O2	132.1 (4)	O1—P1—O2—C2	63.2 (7)
Pb—S1—P1—S2	6.0 (2)	S1—P1—O1—C1	−60.7 (8)
Pb—S1—P1—O1	−113.2 (4)	S2—P1—O1—C1	173.1 (9)
Pb—S1—P1—O2	132.1 (4)	O2—P1—O1—C1	54.4 (8)
S1—P1—O1—C1	−60.7 (8)	S1—P1—O2—C2	−178.6 (9)
S2—P1—O1—C1	173.1 (9)	S2—P1—O2—C2	−50.0 (7)
O2—P1—O1—C1	54.4 (8)	O1—P1—O2—C2	63.2 (7)

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