Poly[bis­(μ₂-O,O′-dimethyl dithio­phosphato)mercury(II)]

In the title compound, [Hg(C₂H₆O₂PS₂)₂]_n, the Hg atom is coordinated by four S atoms in a distorted tetra­hedral arrangement. The Hg—S bond distances are in the range 2.508 (2)–2.662 (2) Å, and the six S—Hg—S angles are in the range 99.14 (7)–118.77 (8)°. In the crystal structure, a two-dimensional network of 16-membered rings of [–Hg–S–P–S–]₄ is formed parallel to the (100) plane.

Key indicators

• Single-crystal X-ray study
• T = 296 K
• Mean [sigma](O-C)= 0.011 Å
• R factor = 0.031
• wR factor = 0.033
• Data-to-parameter ratio = 16.0

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.

Poly[bis(µ₂-O,O'-dimethyl dithiophosphato)mercury(II)]

Crystal data

[Hg(C2H6O2PS2)2]	F(000) = 968.00
Mr = 514.91	Dx = 2.422 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.7107 Å
Hall symbol: -P 2ybc	Cell parameters from 25 reflections
a = 9.930 (5) Å	θ = 15.0–16.4°
b = 12.043 (2) Å	µ = 11.74 mm^−1
c = 11.885 (1) Å	T = 296 K
β = 96.56 (2)°	Plate, colorless
V = 1412.0 (8) Å^3	0.16 × 0.16 × 0.09 mm
Z = 4

Data collection

Rigaku AFC-5S diffractometer	Rint = 0.024
ω–2θ scans	θmax = 27.5°
Absorption correction: ψ scan (North et al., 1968)	h = 0→12
Tmin = 0.182, Tmax = 0.348	k = 0→15
3580 measured reflections	l = −15→15
3224 independent reflections	3 standard reflections every 150 reflections
2372 reflections with I > 3σ(I)	intensity decay: 0.5%

Refinement

Refinement on F	H-atom parameters constrained
R[F^2 > 2σ(F^2)] = 0.031	Weighting scheme based on measured s.u.'s w = 1/σ^2(Fo)
wR(F^2) = 0.033	(Δ/σ)max = 0.002
S = 1.46	Δρmax = 0.76 e Å^−3
2372 reflections	Δρmin = −1.31 e Å^−3
148 parameters

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

	x	y	z	Uiso*/Ueq
Hg	0.68395 (3)	0.73679 (2)	0.28147 (3)	0.03552 (8)
S1	0.7135 (2)	0.8163 (2)	0.4919 (2)	0.0421 (6)
S2	0.8984 (2)	0.6890 (2)	0.7096 (2)	0.0437 (6)
S3	0.7124 (2)	0.5306 (1)	0.3257 (2)	0.0383 (5)
S4	0.5416 (2)	0.3021 (1)	0.3115 (2)	0.0404 (6)
P1	0.8910 (2)	0.7585 (1)	0.5559 (1)	0.0301 (5)
P2	0.5517 (2)	0.4546 (1)	0.2462 (2)	0.0267 (5)
O1	0.9412 (5)	0.6723 (4)	0.4696 (4)	0.040 (2)
O2	1.0075 (6)	0.8479 (5)	0.5565 (5)	0.053 (2)
O3	0.5490 (5)	0.4533 (4)	0.1145 (4)	0.037 (2)
O4	0.4165 (5)	0.5226 (4)	0.2511 (5)	0.039 (2)
C1	1.078 (1)	0.6357 (9)	0.4767 (9)	0.073 (4)
C2	1.034 (1)	0.9306 (8)	0.641 (1)	0.082 (4)
C3	0.651 (1)	0.3931 (7)	0.0607 (7)	0.054 (3)
C4	0.373 (1)	0.5493 (8)	0.3588 (8)	0.063 (3)
H1	1.103	0.6011	0.5479	0.087*
H2	1.087	0.5840	0.4177	0.087*
H3	1.136	0.6976	0.4690	0.087*
H4	1.055	0.8961	0.713	0.097*
H5	1.108	0.9757	0.626	0.097*
H6	0.955	0.9753	0.642	0.097*
H7	0.647	0.3167	0.0799	0.066*
H8	0.634	0.4013	−0.0192	0.066*
H9	0.738	0.4217	0.0866	0.066*
H10	0.441	0.5926	0.4013	0.078*
H11	0.291	0.5901	0.3479	0.078*
H12	0.359	0.4826	0.3986	0.078*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Hg	0.0356 (2)	0.0325 (1)	0.0384 (2)	0.0044 (1)	0.0041 (1)	0.0017 (1)
S1	0.043 (1)	0.056 (1)	0.027 (1)	0.023 (1)	0.0022 (9)	−0.0037 (9)
S2	0.045 (1)	0.054 (1)	0.033 (1)	0.018 (1)	0.010 (1)	0.0143 (9)
S3	0.034 (1)	0.0263 (9)	0.051 (1)	−0.0042 (8)	−0.0115 (9)	0.0016 (8)
S4	0.041 (1)	0.0317 (9)	0.045 (1)	−0.0095 (8)	−0.009 (1)	0.0132 (8)
P1	0.033 (1)	0.032 (1)	0.0248 (9)	0.0016 (8)	0.0021 (8)	−0.0001 (8)
P2	0.027 (1)	0.0233 (8)	0.029 (1)	−0.0013 (7)	−0.0005 (8)	0.0020 (7)
O1	0.035 (3)	0.054 (3)	0.032 (3)	0.013 (3)	0.003 (2)	−0.006 (2)
O2	0.057 (4)	0.056 (4)	0.044 (4)	−0.020 (3)	0.004 (3)	0.002 (3)
O3	0.040 (3)	0.042 (3)	0.030 (3)	−0.001 (2)	0.006 (3)	0.004 (2)
O4	0.032 (3)	0.039 (3)	0.047 (4)	0.006 (2)	0.002 (3)	−0.004 (2)
C1	0.044 (6)	0.098 (8)	0.076 (8)	0.030 (6)	0.007 (6)	−0.014 (6)
C2	0.096 (9)	0.064 (7)	0.083 (8)	−0.032 (6)	−0.006 (7)	−0.025 (6)
C3	0.070 (7)	0.053 (5)	0.041 (5)	0.001 (5)	0.021 (5)	−0.006 (4)
C4	0.056 (7)	0.065 (6)	0.074 (7)	0.004 (5)	0.029 (6)	−0.017 (5)

Geometric parameters (Å, º)

Hg—S1	2.662 (2)	O3—C3	1.449 (9)
Hg—S2^i	2.545 (2)	O4—C4	1.43 (1)
Hg—S3	2.547 (2)	C1—H1	0.95
Hg—S4^ii	2.508 (2)	C1—H2	0.95
S1—P1	1.965 (3)	C1—H3	0.95
S2—P1	2.003 (3)	C2—H4	0.95
S3—P2	1.983 (3)	C2—H5	0.95
S4—P2	2.000 (2)	C2—H6	0.95
P1—O1	1.581 (5)	C3—H7	0.95
P1—O2	1.580 (6)	C3—H8	0.95
P2—O3	1.563 (5)	C3—H9	0.95
P2—O4	1.579 (5)	C4—H10	0.95
O1—C1	1.422 (9)	C4—H11	0.95
O2—C2	1.42 (1)	C4—H12	0.95
Hg···S1^i	3.546 (2)	S3···C1^iv	3.57 (1)
Hg···P1^i	3.560 (2)	S4···O4^v	3.482 (5)
Hg···P2^ii	3.505 (2)	O2···C2^vi	3.546 (13)
Hg···O4^ii	3.592 (5)	O3···C3^vii	3.28 (1)
S1···O3^ii	3.219 (5)	C1···C4^viii	3.543 (12)
S2···O1^iii	3.496 (6)
S1—Hg—S2^i	100.51 (7)	O1—C1—H2	109.3
S1—Hg—S3	99.14 (7)	H1—C1—H2	109.5
S1—Hg—S4^ii	107.34 (7)	O1—C1—H3	109.5
S2^i—Hg—S3	109.53 (8)	H1—C1—H3	109.5
S2^i—Hg—S4^ii	118.77 (8)	H2—C1—H3	109.5
S3—Hg—S4^ii	117.97 (6)	O2—C2—H4	109.5
S1—P1—S2	116.04 (13)	O2—C2—H5	110.5
S1—P1—O1	108.5 (2)	H4—C2—H5	109.5
S2—P1—O1	109.6 (2)	O2—C2—H6	108.4
S1—P1—O2	112.6 (3)	H4—C2—H6	109.5
S2—P1—O2	109.3 (2)	H5—C2—H6	109.5
O1—P1—O2	99.5 (3)	O3—C3—H7	109.2
S3—P2—S4	108.21 (12)	O3—C3—H8	109.9
S3—P2—O3	113.7 (2)	H7—C3—H8	109.5
S4—P2—O3	112.6 (2)	O3—C3—H9	109.3
S3—P2—O4	112.6 (2)	H7—C3—H9	109.5
S4—P2—O4	112.4 (2)	H8—C3—H9	109.5
O3—P2—O4	97.1 (3)	O4—C4—H10	109.3
P1—O1—C1	122.4 (6)	O4—C4—H11	109.7
P1—O2—C2	124.0 (7)	H10—C4—H11	109.5
P2—O3—C3	120.9 (5)	O4—C4—H12	109.4
P2—O4—C4	119.6 (5)	H10—C4—H12	109.5
O1—C1—H1	109.6	H11—C4—H12	109.5
S3—Hg—S1—P1	56.1 (1)	O2—P1—O1—C1	46.6 (7)
S1—Hg—S3—P2	126.6 (1)	S1—P1—O2—C2	82.4 (7)
Hg—S1—P1—S2	−132.6 (2)	S2—P1—O2—C2	−48.2 (7)
Hg—S1—P1—O1	−8.8 (4)	O1—P1—O2—C2	−162.9 (9)
Hg—S1—P1—O2	100.4 (4)	S3—P2—O3—C3	65.3 (8)
Hg—S3—P2—S4	−164.3 (2)	S4—P2—O3—C3	−58.2 (8)
Hg—S3—P2—O3	69.8 (4)	O4—P2—O3—C3	−176.1 (8)
Hg—S3—P2—O4	−39.4 (4)	S3—P2—O4—C4	−59.3 (8)
S1—P1—O1—C1	164.4 (8)	S4—P2—O4—C4	63.2 (8)
S2—P1—O1—C1	−67.9 (9)	O3—P2—O4—C4	−178.7 (8)

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