Crystal and electronic structure of a new metallic modification of (ET)₂[KHg(SCN)₄]

A new room-temperature metallic modification of the well known radical cation salt (ET)₂[KHg(SCN)₄] has been prepared by electrochemical oxidation of ET. Its crystal and electronic structure have been examined at 110 K. The salt has a layered structure in which the conducting layers are characterized by the δ-type packing.

Computing details

Program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997).

(55555abs)

Crystal data

C24H20HgKN4S20	V = 1984.3 (6) Å^3
Mr = 1245.33	Z = 2
Triclinic, P1	F(000) = 1222
a = 6.648 (1) Å	Dx = 2.084 Mg m^−3
b = 14.888 (3) Å	Mo Kα radiation, λ = 0.71069 Å
c = 20.380 (4) Å	µ = 5.07 mm^−1
α = 86.20 (3)°	T = 110 K
β = 86.02 (3)°	Rhombic plates, black
γ = 81.00 (3)°	0.58 × 0.25 × 0.12 mm

Data collection

Bruker AXS SMART 1000 diffractometer	8123 independent reflections
Radiation source: fine-focus sealed tube	5862 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.114
Detector resolution: CCD pixels mm^-1	θmax = 30.0°, θmin = 1.8°
ω–scanning	h = −9→9
Absorption correction: semiempirical (using intensity measurements) (sheldrick, 1997)	k = −20→11
Tmin = 0.188, Tmax = 0.658	l = −24→28
9096 measured reflections

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.056	Hydrogen site location: not found
wR(F^2) = 0.140	H-atom parameters not defined
S = 0.80	Calculated w = 1/[σ^2(Fo^2) + (0.1P)^2] where P = (Fo^2 + 2Fc^2)/3
8123 reflections	(Δ/σ)max = 0.003
462 parameters	Δρmax = 2.75 e Å^−3
2 restraints	Δρmin = −2.07 e Å^−3

Special details

Experimental. omega-scanning, scanning pitch 0.3degree, frame measuring time 30 s.

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.

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

	x	y	z	Uiso*/Ueq	Occ. (<1)
Hg1	0.93364 (5)	0.695764 (17)	0.019695 (11)	0.04259 (7)
K1	0.2870 (2)	0.90255 (10)	0.00424 (7)	0.0443 (4)
S1	0.7713 (4)	0.56878 (11)	−0.01789 (9)	0.0622 (6)
S2	1.2845 (4)	0.67444 (19)	0.07237 (11)	0.0450 (8)	0.646 (5)
S2'	1.1955 (8)	0.6192 (3)	0.0895 (2)	0.0469 (14)	0.380 (5)
S3	0.6773 (3)	0.80107 (10)	0.09393 (7)	0.0386 (4)
S4	0.9941 (3)	0.80075 (10)	−0.08568 (7)	0.0354 (4)
S5	0.7333 (2)	0.21093 (9)	0.26544 (6)	0.0250 (3)
S6	0.2092 (2)	0.21783 (10)	0.30870 (6)	0.0274 (3)
S7	0.77982 (19)	0.15607 (9)	0.40728 (6)	0.0220 (3)
S8	0.34173 (19)	0.15784 (9)	0.44019 (6)	0.0216 (3)
S9	0.87527 (19)	0.08666 (9)	0.55761 (6)	0.0227 (3)
S10	0.43834 (19)	0.08175 (9)	0.58833 (6)	0.0207 (3)
S11	1.0032 (2)	0.03450 (9)	0.69031 (6)	0.0254 (3)
S12	0.4809 (2)	0.03507 (9)	0.73108 (6)	0.0227 (3)
S13	0.9677 (2)	0.46215 (10)	0.24570 (6)	0.0276 (3)
S14	0.4541 (2)	0.50920 (9)	0.20977 (6)	0.0256 (3)
S15	0.80991 (19)	0.40848 (8)	0.37878 (6)	0.0206 (3)
S16	0.37740 (19)	0.45294 (9)	0.34982 (6)	0.0208 (3)
S17	0.67808 (19)	0.35393 (8)	0.53020 (6)	0.0202 (3)
S18	0.24604 (19)	0.40200 (8)	0.50070 (6)	0.0207 (3)
S19	0.5994 (2)	0.29093 (8)	0.66831 (6)	0.0218 (3)
S20	0.0801 (2)	0.34988 (9)	0.63219 (6)	0.0244 (3)
N1	0.4469 (15)	0.6756 (7)	−0.0757 (4)	0.121 (3)
N2	1.1717 (10)	0.7552 (4)	0.1900 (3)	0.0558 (17)
N3	0.9059 (10)	0.9469 (4)	0.0809 (3)	0.0503 (17)
N4	0.6438 (10)	0.9337 (4)	−0.0708 (2)	0.0463 (16)
C1	0.5872 (15)	0.6317 (6)	−0.0511 (4)	0.071 (2)
C2	1.1998 (11)	0.7162 (5)	0.1433 (3)	0.0424 (17)
C3	0.8141 (11)	0.8860 (4)	0.0874 (2)	0.0404 (17)
C4	0.7850 (11)	0.8801 (4)	−0.0771 (3)	0.0369 (16)
C5	0.5320 (8)	0.2005 (3)	0.2124 (2)	0.0238 (12)
C6	0.3304 (8)	0.2593 (4)	0.2319 (2)	0.0233 (12)
C7	0.6161 (8)	0.1867 (3)	0.3427 (2)	0.0197 (11)
C8	0.4165 (8)	0.1889 (3)	0.3587 (2)	0.0221 (12)
C9	0.5887 (7)	0.1348 (3)	0.4675 (2)	0.0181 (11)
C10	0.6303 (7)	0.1042 (3)	0.5293 (2)	0.0182 (11)
C11	0.8006 (8)	0.0535 (3)	0.6382 (2)	0.0189 (11)
C12	0.5997 (8)	0.0532 (3)	0.6540 (2)	0.0178 (11)
C13	0.8818 (8)	−0.0008 (4)	0.7681 (2)	0.0242 (12)
C14	0.6758 (8)	0.0565 (4)	0.7836 (2)	0.0250 (12)
C15	0.6724 (10)	0.5074 (8)	0.1545 (3)	0.085 (3)
C16	0.8613 (13)	0.4535 (8)	0.1685 (3)	0.095 (4)
C17	0.5567 (8)	0.4706 (3)	0.2856 (2)	0.0209 (11)
C18	0.7538 (8)	0.4518 (3)	0.2996 (2)	0.0204 (11)
C19	0.5562 (7)	0.4178 (3)	0.4080 (2)	0.0190 (11)
C20	0.5005 (8)	0.3945 (3)	0.4720 (2)	0.0190 (11)
C21	0.2965 (8)	0.3579 (3)	0.5805 (2)	0.0194 (11)
C22	0.4959 (8)	0.3360 (3)	0.5944 (2)	0.0184 (11)
C23	0.1892 (8)	0.2682 (3)	0.6951 (3)	0.0255 (12)
C24	0.3730 (8)	0.2981 (4)	0.7242 (2)	0.0234 (12)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Hg1	0.07108 (18)	0.03245 (12)	0.01759 (10)	0.01053 (11)	−0.00202 (11)	0.00312 (9)
K1	0.0603 (9)	0.0388 (7)	0.0314 (6)	0.0031 (7)	−0.0137 (7)	0.0030 (6)
S1	0.1153 (16)	0.0216 (7)	0.0421 (9)	−0.0066 (9)	0.0351 (10)	0.0053 (7)
S2	0.0615 (17)	0.0474 (15)	0.0208 (11)	0.0168 (12)	−0.0133 (11)	−0.0106 (10)
S2'	0.065 (3)	0.046 (3)	0.0259 (19)	0.009 (2)	−0.020 (2)	−0.0017 (18)
S3	0.0597 (10)	0.0316 (7)	0.0187 (6)	0.0078 (7)	0.0014 (7)	0.0021 (6)
S4	0.0604 (9)	0.0269 (7)	0.0172 (6)	−0.0006 (7)	−0.0081 (6)	0.0014 (5)
S5	0.0282 (6)	0.0326 (7)	0.0134 (5)	−0.0054 (5)	−0.0037 (5)	0.0094 (5)
S6	0.0268 (6)	0.0374 (7)	0.0169 (5)	−0.0026 (6)	−0.0074 (5)	0.0067 (5)
S7	0.0256 (6)	0.0270 (6)	0.0141 (5)	−0.0072 (5)	−0.0060 (5)	0.0062 (5)
S8	0.0249 (6)	0.0252 (6)	0.0147 (5)	−0.0048 (5)	−0.0031 (5)	0.0042 (5)
S9	0.0258 (6)	0.0300 (6)	0.0132 (5)	−0.0086 (5)	−0.0041 (5)	0.0050 (5)
S10	0.0251 (6)	0.0238 (6)	0.0134 (5)	−0.0057 (5)	−0.0039 (5)	0.0040 (5)
S11	0.0271 (6)	0.0334 (7)	0.0162 (5)	−0.0069 (5)	−0.0077 (5)	0.0063 (5)
S12	0.0285 (6)	0.0265 (6)	0.0131 (5)	−0.0060 (5)	−0.0040 (5)	0.0066 (5)
S13	0.0284 (7)	0.0367 (7)	0.0166 (6)	−0.0057 (5)	−0.0008 (5)	0.0089 (5)
S14	0.0331 (7)	0.0299 (6)	0.0147 (5)	−0.0088 (5)	−0.0074 (5)	0.0091 (5)
S15	0.0247 (6)	0.0230 (6)	0.0136 (5)	−0.0032 (5)	−0.0039 (5)	0.0048 (5)
S16	0.0255 (6)	0.0245 (6)	0.0128 (5)	−0.0061 (5)	−0.0050 (5)	0.0055 (5)
S17	0.0259 (6)	0.0202 (5)	0.0148 (5)	−0.0056 (5)	−0.0056 (5)	0.0063 (4)
S18	0.0239 (6)	0.0241 (6)	0.0145 (5)	−0.0055 (5)	−0.0053 (5)	0.0051 (5)
S19	0.0294 (6)	0.0213 (6)	0.0147 (5)	−0.0059 (5)	−0.0050 (5)	0.0072 (5)
S20	0.0274 (6)	0.0300 (6)	0.0160 (5)	−0.0075 (5)	−0.0036 (5)	0.0076 (5)
N1	0.120 (7)	0.183 (8)	0.056 (4)	−0.048 (6)	−0.009 (4)	0.082 (5)
N2	0.062 (4)	0.051 (3)	0.058 (4)	−0.021 (3)	0.002 (3)	−0.010 (3)
N3	0.083 (4)	0.034 (3)	0.029 (3)	0.006 (3)	−0.009 (3)	0.003 (2)
N4	0.078 (4)	0.035 (3)	0.022 (2)	0.001 (3)	−0.007 (3)	0.008 (2)
C1	0.116 (6)	0.072 (5)	0.033 (3)	−0.049 (4)	−0.003 (4)	0.024 (4)
C2	0.054 (4)	0.044 (3)	0.023 (3)	0.001 (3)	0.005 (3)	0.015 (3)
C3	0.079 (5)	0.029 (3)	0.008 (2)	0.005 (3)	−0.004 (3)	0.002 (2)
C4	0.066 (4)	0.029 (3)	0.015 (2)	−0.005 (3)	−0.014 (3)	0.009 (2)
C5	0.035 (3)	0.023 (2)	0.013 (2)	−0.003 (2)	−0.005 (2)	−0.0001 (19)
C6	0.029 (3)	0.026 (2)	0.013 (2)	−0.001 (2)	0.001 (2)	0.007 (2)
C7	0.029 (3)	0.019 (2)	0.010 (2)	−0.0048 (19)	−0.0031 (19)	0.0053 (18)
C8	0.035 (3)	0.017 (2)	0.014 (2)	0.000 (2)	−0.007 (2)	−0.0011 (18)
C9	0.021 (2)	0.017 (2)	0.018 (2)	−0.0098 (18)	−0.0031 (19)	0.0011 (18)
C10	0.022 (2)	0.020 (2)	0.012 (2)	−0.0061 (18)	0.0031 (19)	0.0009 (18)
C11	0.027 (2)	0.021 (2)	0.0093 (19)	−0.0063 (19)	−0.0035 (19)	0.0007 (18)
C12	0.031 (3)	0.013 (2)	0.0102 (19)	−0.0053 (18)	−0.0042 (19)	0.0024 (17)
C13	0.034 (3)	0.025 (2)	0.012 (2)	−0.005 (2)	0.000 (2)	0.0071 (19)
C14	0.027 (3)	0.029 (3)	0.018 (2)	−0.003 (2)	−0.003 (2)	−0.002 (2)
C15	0.037 (4)	0.202 (10)	0.018 (3)	−0.040 (5)	0.003 (3)	0.024 (4)
C16	0.056 (5)	0.195 (11)	0.017 (3)	0.035 (6)	−0.005 (3)	−0.014 (5)
C17	0.033 (3)	0.016 (2)	0.013 (2)	−0.0047 (19)	−0.004 (2)	0.0064 (18)
C18	0.032 (3)	0.015 (2)	0.015 (2)	−0.0080 (19)	−0.003 (2)	0.0064 (18)
C19	0.022 (2)	0.021 (2)	0.013 (2)	−0.0007 (19)	−0.0053 (19)	0.0075 (18)
C20	0.031 (3)	0.0115 (19)	0.014 (2)	−0.0052 (18)	−0.0059 (19)	0.0107 (17)
C21	0.026 (2)	0.019 (2)	0.015 (2)	−0.0079 (18)	−0.0028 (19)	0.0006 (18)
C22	0.027 (2)	0.016 (2)	0.012 (2)	−0.0046 (18)	−0.0026 (19)	0.0040 (18)
C23	0.036 (3)	0.020 (2)	0.023 (2)	−0.011 (2)	−0.011 (2)	0.006 (2)
C24	0.021 (2)	0.027 (2)	0.021 (2)	−0.006 (2)	0.000 (2)	0.006 (2)

Geometric parameters (Å, º)

Hg1—S2'	2.420 (4)	S11—C13	1.813 (5)
Hg1—S1	2.504 (2)	S12—C12	1.733 (5)
Hg1—S2	2.601 (3)	S12—C14	1.814 (5)
Hg1—S3	2.6023 (18)	S13—C18	1.756 (5)
Hg1—S4	2.6169 (16)	S13—C16	1.789 (8)
Hg1—K1^i	4.1384 (19)	S14—C17	1.757 (5)
K1—N4	2.815 (6)	S14—C15	1.772 (7)
K1—N3^ii	2.891 (7)	S15—C19	1.737 (5)
K1—N3^iii	2.928 (6)	S15—C18	1.741 (5)
K1—N4^iii	2.979 (6)	S16—C19	1.736 (5)
K1—S4^ii	3.352 (2)	S16—C17	1.744 (5)
K1—S3	3.379 (2)	S17—C20	1.744 (5)
K1—C3^ii	3.502 (7)	S17—C22	1.756 (5)
K1—S2^ii	3.585 (3)	S18—C20	1.740 (5)
K1—Hg1^ii	4.1385 (19)	S18—C21	1.747 (5)
K1—K1^iii	4.348 (3)	S19—C22	1.749 (5)
K1—K1^iv	4.424 (3)	S19—C24	1.818 (5)
S1—C1	1.583 (9)	S20—C21	1.739 (5)
S2—S2'	1.110 (6)	S20—C23	1.816 (5)
S2—C2	1.641 (7)	N1—C1	1.174 (12)
S2—K1^i	3.585 (3)	N2—C2	1.136 (9)
S2'—C2	1.876 (8)	N3—C3	1.165 (9)
S3—C3	1.663 (7)	N3—K1^i	2.891 (7)
S4—C4	1.685 (7)	N3—K1^iii	2.928 (6)
S4—K1^i	3.352 (2)	N4—C4	1.138 (8)
S5—C7	1.749 (5)	N4—K1^iii	2.979 (6)
S5—C5	1.809 (5)	C3—K1^i	3.502 (7)
S6—C8	1.753 (5)	C5—C6	1.526 (7)
S6—C6	1.826 (5)	C7—C8	1.340 (7)
S7—C9	1.755 (5)	C9—C10	1.343 (6)
S7—C7	1.757 (5)	C11—C12	1.353 (7)
S8—C9	1.746 (5)	C13—C14	1.521 (7)
S8—C8	1.754 (5)	C15—C16	1.417 (12)
S9—C10	1.741 (5)	C17—C18	1.343 (7)
S9—C11	1.745 (5)	C19—C20	1.368 (6)
S10—C10	1.747 (5)	C21—C22	1.360 (7)
S10—C12	1.761 (5)	C23—C24	1.532 (7)
S11—C11	1.749 (5)
S2'—Hg1—S1	103.91 (13)	C3—S3—Hg1	94.5 (2)
S2'—Hg1—S2	25.22 (13)	C3—S3—K1	97.8 (2)
S1—Hg1—S2	124.61 (8)	Hg1—S3—K1	109.20 (6)
S2'—Hg1—S3	106.81 (11)	C4—S4—Hg1	99.2 (2)
S1—Hg1—S3	111.00 (7)	C4—S4—K1^i	95.7 (2)
S2—Hg1—S3	107.14 (7)	Hg1—S4—K1^i	86.88 (5)
S2'—Hg1—S4	125.64 (13)	C7—S5—C5	100.7 (2)
S1—Hg1—S4	105.92 (6)	C8—S6—C6	102.2 (2)
S2—Hg1—S4	102.51 (8)	C9—S7—C7	96.1 (2)
S3—Hg1—S4	103.35 (5)	C9—S8—C8	95.5 (2)
S2'—Hg1—K1^i	83.91 (13)	C10—S9—C11	95.3 (2)
S1—Hg1—K1^i	157.11 (5)	C10—S10—C12	96.0 (2)
S2—Hg1—K1^i	59.14 (7)	C11—S11—C13	102.6 (2)
S3—Hg1—K1^i	86.48 (5)	C12—S12—C14	100.5 (2)
S4—Hg1—K1^i	53.96 (4)	C18—S13—C16	100.1 (3)
N4—K1—N3^ii	157.56 (17)	C17—S14—C15	103.5 (3)
N4—K1—N3^iii	83.32 (17)	C19—S15—C18	94.5 (2)
N3^ii—K1—N3^iii	81.01 (17)	C19—S16—C17	95.1 (2)
N4—K1—N4^iii	82.77 (17)	C20—S17—C22	95.3 (2)
N3^ii—K1—N4^iii	78.16 (18)	C20—S18—C21	95.6 (2)
N3^iii—K1—N4^iii	77.15 (16)	C22—S19—C24	101.5 (2)
N4—K1—S4^ii	109.95 (12)	C21—S20—C23	99.9 (2)
N3^ii—K1—S4^ii	82.03 (13)	C3—N3—K1^i	112.2 (5)
N3^iii—K1—S4^ii	77.04 (13)	C3—N3—K1^iii	112.9 (5)
N4^iii—K1—S4^ii	149.51 (13)	K1^i—N3—K1^iii	98.99 (17)
N4—K1—S3	74.64 (12)	C4—N4—K1	123.8 (5)
N3^ii—K1—S3	113.96 (12)	C4—N4—K1^iii	114.3 (5)
N3^iii—K1—S3	151.58 (15)	K1—N4—K1^iii	97.23 (17)
N4^iii—K1—S3	82.40 (12)	N1—C1—S1	177.6 (9)
S4^ii—K1—S3	127.17 (6)	N2—C2—S2	166.3 (7)
N4—K1—C3^ii	173.32 (15)	N2—C2—S2'	156.8 (6)
N3^ii—K1—C3^ii	17.95 (15)	S2—C2—S2'	36.0 (2)
N3^iii—K1—C3^ii	90.03 (17)	N3—C3—S3	177.5 (6)
N4^iii—K1—C3^ii	95.26 (16)	N3—C3—K1^i	49.9 (4)
S4^ii—K1—C3^ii	68.83 (11)	S3—C3—K1^i	130.4 (3)
S3—K1—C3^ii	111.50 (10)	N4—C4—S4	179.4 (5)
N4—K1—S2^ii	115.73 (13)	C6—C5—S5	112.9 (3)
N3^ii—K1—S2^ii	85.72 (13)	C5—C6—S6	113.0 (3)
N3^iii—K1—S2^ii	147.46 (15)	C8—C7—S5	127.9 (4)
N4^iii—K1—S2^ii	128.83 (11)	C8—C7—S7	116.1 (4)
S4^ii—K1—S2^ii	71.76 (6)	S5—C7—S7	116.0 (3)
S3—K1—S2^ii	60.60 (6)	C7—C8—S6	129.2 (4)
C3^ii—K1—S2^ii	70.44 (11)	C7—C8—S8	118.1 (4)
N4—K1—Hg1^ii	134.53 (12)	S6—C8—S8	112.7 (3)
N3^ii—K1—Hg1^ii	66.50 (13)	C10—C9—S8	123.3 (4)
N3^iii—K1—Hg1^ii	109.19 (14)	C10—C9—S7	122.5 (4)
N4^iii—K1—Hg1^ii	142.01 (12)	S8—C9—S7	114.2 (3)
S4^ii—K1—Hg1^ii	39.15 (3)	C9—C10—S9	123.2 (4)
S3—K1—Hg1^ii	99.09 (5)	C9—C10—S10	121.9 (4)
C3^ii—K1—Hg1^ii	48.59 (10)	S9—C10—S10	114.8 (3)
S2^ii—K1—Hg1^ii	38.52 (5)	C12—C11—S9	118.4 (4)
N4—K1—K1^iii	42.81 (12)	C12—C11—S11	128.5 (4)
N3^ii—K1—K1^iii	117.24 (13)	S9—C11—S11	112.8 (3)
N3^iii—K1—K1^iii	76.84 (14)	C11—C12—S12	128.1 (4)
N4^iii—K1—K1^iii	39.96 (12)	C11—C12—S10	115.4 (3)
S4^ii—K1—K1^iii	144.21 (6)	S12—C12—S10	116.3 (3)
S3—K1—K1^iii	74.81 (5)	C14—C13—S11	112.8 (3)
C3^ii—K1—K1^iii	134.89 (12)	C13—C14—S12	112.8 (4)
S2^ii—K1—K1^iii	135.29 (8)	C16—C15—S14	121.8 (6)
Hg1^ii—K1—K1^iii	173.67 (6)	C15—C16—S13	119.3 (7)
N4—K1—K1^iv	121.81 (12)	C18—C17—S16	116.7 (4)
N3^ii—K1—K1^iv	40.81 (11)	C18—C17—S14	128.3 (4)
N3^iii—K1—K1^iv	40.20 (13)	S16—C17—S14	115.1 (3)
N4^iii—K1—K1^iv	73.66 (13)	C17—C18—S15	117.9 (4)
S4^ii—K1—K1^iv	76.17 (5)	C17—C18—S13	127.3 (4)
S3—K1—K1^iv	147.92 (6)	S15—C18—S13	114.8 (3)
C3^ii—K1—K1^iv	51.58 (10)	C20—C19—S16	122.0 (4)
S2^ii—K1—K1^iv	120.60 (8)	C20—C19—S15	122.3 (4)
Hg1^ii—K1—K1^iv	87.53 (5)	S16—C19—S15	115.6 (3)
K1^iii—K1—K1^iv	98.54 (6)	C19—C20—S18	122.1 (4)
C1—S1—Hg1	96.2 (3)	C19—C20—S17	122.6 (4)
S2'—S2—C2	83.6 (4)	S18—C20—S17	115.3 (3)
S2'—S2—Hg1	68.2 (3)	C22—C21—S20	128.7 (4)
C2—S2—Hg1	96.8 (3)	C22—C21—S18	116.9 (4)
S2'—S2—K1^i	148.4 (3)	S20—C21—S18	114.4 (3)
C2—S2—K1^i	88.8 (3)	C21—C22—S19	128.8 (4)
Hg1—S2—K1^i	82.34 (7)	C21—C22—S17	116.9 (3)
S2—S2'—C2	60.4 (3)	S19—C22—S17	114.3 (3)
S2—S2'—Hg1	86.5 (3)	C24—C23—S20	112.2 (3)
C2—S2'—Hg1	96.9 (3)	C23—C24—S19	113.9 (4)

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