20-Di­cyano­methyl­ene-5,8,11,14-tetraoxa-2,17-di­thia­bi­cyclo­[16.4.1]­tricosa-1(23),18,21-triene and its mercury(II) dichloride complex

The structures of the title compound, C₂₀H₂₄N₂O₄S₂, and its mercury(II) dichloride complex, dichloro{20-di­cyano­methyl­ene-5,8,11,14-tetraoxa-2,17-di­thia­bi­cyclo­[16.4.1]­tricosa-1(23),18,­21-tri­ene-κ⁴O,κS¹⁷}mercury(II), [HgCl₂(C₂₀­H₂₄­N₂­O₄­S₂)], have been determined by X-ray crystallographic analyses. The mercury(II) dichloride complex has two independent mol­ecules of [HgCl₂(C₂₀H₂₄N₂O₄S₂)] in the lattice. The mercury(II) ion has pentagonal bipyramidal coordination which involves one S atom, four O atoms and two Cl⁻ ions.

Computing details

For both compounds, data collection: CAD-4 Software (Enraf-Nonius, 1989); cell refinement: CAD-4 Software; data reduction: MolEN (Fair, 1990); program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: Xtal_GX (Hall & du Boulay, 1995); software used to prepare material for publication: SHELXL97.

(I)

Crystal data

C20H24N2O4S2	Z = 2
Mr = 420.53	F(000) = 444
Triclinic, P1	Dx = 1.340 Mg m^−3
a = 10.947 (5) Å	Cu Kα radiation, λ = 1.54184 Å
b = 12.185 (5) Å	Cell parameters from 25 reflections
c = 8.883 (5) Å	θ = 19.2–42.8°
α = 103.808 (5)°	µ = 2.56 mm^−1
β = 113.331 (5)°	T = 296 K
γ = 76.135 (5)°	Prism, red
V = 1042.5 (9) Å^3	0.50 × 0.30 × 0.10 mm

Data collection

Enraf-Nonius FR590 diffractometer	3249 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.014
Graphite monochromator	θmax = 64.9°, θmin = 3.8°
ω–2θ scans	h = −11→12
Absorption correction: empirical (using intensity measurements) via ψ scans (North et al., 1968)	k = −13→14
Tmin = 0.473, Tmax = 0.775	l = −10→0
4032 measured reflections	3 standard reflections every 120 min
3550 independent reflections	intensity decay: 0.0%

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.036	H-atom parameters constrained
wR(F^2) = 0.104	w = 1/[σ^2(Fo^2) + (0.0512P)^2 + 0.3471P] where P = (Fo^2 + 2Fc^2)/3
S = 1.10	(Δ/σ)max = 0.001
3550 reflections	Δρmax = 0.32 e Å^−3
254 parameters	Δρmin = −0.20 e Å^−3
0 restraints	Extinction correction: SHELXL97 (Sheldrick, 1997), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.0120 (8)

Special details

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
S1	0.14509 (4)	0.20030 (4)	0.56433 (6)	0.04677 (16)
S2	−0.36008 (5)	0.35135 (5)	0.53225 (8)	0.0655 (2)
O1	0.45252 (13)	0.11206 (13)	0.68652 (19)	0.0596 (4)
O2	0.49360 (15)	0.34486 (12)	0.8404 (2)	0.0646 (4)
O3	0.17459 (14)	0.50779 (13)	0.83054 (19)	0.0585 (4)
O4	−0.10864 (13)	0.50718 (11)	0.72153 (18)	0.0528 (4)
N1	0.0836 (2)	−0.15380 (17)	0.0598 (3)	0.0757 (6)
N2	−0.3431 (2)	−0.16495 (19)	−0.1052 (3)	0.0736 (6)
C1	−0.15335 (18)	0.02552 (15)	0.2214 (2)	0.0415 (4)
C2	−0.03470 (18)	0.07097 (15)	0.3291 (2)	0.0425 (4)
H2	0.0438	0.0313	0.3120	0.051*
C3	−0.01657 (17)	0.16335 (14)	0.4539 (2)	0.0392 (4)
C4	−0.11371 (18)	0.24354 (15)	0.5122 (2)	0.0437 (4)
H4	−0.0803	0.3018	0.5981	0.052*
C5	−0.24884 (19)	0.24483 (16)	0.4570 (2)	0.0457 (4)
C6	−0.32371 (19)	0.16301 (19)	0.3285 (3)	0.0541 (5)
H6	−0.4155	0.1767	0.3093	0.065*
C7	−0.28388 (19)	0.07063 (18)	0.2319 (3)	0.0526 (5)
H7	−0.3517	0.0291	0.1602	0.063*
C8	−0.14205 (18)	−0.06875 (15)	0.0995 (2)	0.0443 (4)
C9	−0.0173 (2)	−0.11662 (16)	0.0776 (3)	0.0509 (5)
C10	−0.2540 (2)	−0.12215 (17)	−0.0127 (3)	0.0515 (5)
C11	0.24967 (18)	0.10941 (16)	0.4534 (2)	0.0475 (4)
H11A	0.2571	0.0300	0.4618	0.057*
H11B	0.2091	0.1172	0.3368	0.057*
C12	0.38778 (19)	0.14362 (18)	0.5269 (3)	0.0515 (5)
H12A	0.4397	0.1050	0.4571	0.062*
H12B	0.3799	0.2256	0.5348	0.062*
C13	0.58143 (19)	0.14653 (17)	0.7749 (3)	0.0560 (5)
H13A	0.6118	0.1675	0.6983	0.067*
H13B	0.6460	0.0828	0.8230	0.067*
C14	0.5762 (2)	0.2462 (2)	0.9101 (3)	0.0623 (6)
H14A	0.5400	0.2274	0.9826	0.075*
H14B	0.6667	0.2624	0.9759	0.075*
C15	0.3824 (2)	0.38800 (18)	0.8911 (3)	0.0538 (5)
H15A	0.4126	0.4231	1.0070	0.065*
H15B	0.3357	0.3262	0.8787	0.065*
C16	0.2897 (2)	0.47487 (17)	0.7858 (3)	0.0539 (5)
H16A	0.3328	0.5405	0.8059	0.065*
H16B	0.2651	0.4421	0.6690	0.065*
C17	0.0754 (2)	0.58871 (17)	0.7391 (3)	0.0533 (5)
H17A	0.0537	0.5612	0.6211	0.064*
H17B	0.1088	0.6605	0.7657	0.064*
C18	−0.0477 (2)	0.60704 (16)	0.7814 (3)	0.0534 (5)
H18A	−0.0235	0.6258	0.9010	0.064*
H18B	−0.1113	0.6708	0.7324	0.064*
C19	−0.2212 (2)	0.52193 (18)	0.7696 (3)	0.0608 (6)
H19A	−0.2949	0.5737	0.7051	0.073*
H19B	−0.1975	0.5557	0.8859	0.073*
C20	−0.2650 (2)	0.40910 (18)	0.7425 (3)	0.0591 (5)
H20A	−0.3191	0.4171	0.8098	0.071*
H20B	−0.1851	0.3534	0.7840	0.071*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
S1	0.0382 (3)	0.0472 (3)	0.0499 (3)	−0.01330 (19)	0.0156 (2)	−0.0075 (2)
S2	0.0455 (3)	0.0681 (4)	0.0798 (4)	−0.0096 (2)	0.0334 (3)	−0.0135 (3)
O1	0.0432 (7)	0.0650 (9)	0.0671 (9)	−0.0189 (6)	0.0082 (7)	0.0144 (7)
O2	0.0621 (9)	0.0526 (8)	0.0909 (11)	0.0029 (7)	0.0481 (9)	0.0092 (8)
O3	0.0503 (8)	0.0648 (9)	0.0669 (9)	0.0020 (7)	0.0301 (7)	0.0178 (7)
O4	0.0531 (8)	0.0437 (7)	0.0661 (9)	−0.0136 (6)	0.0326 (7)	−0.0082 (6)
N1	0.0563 (12)	0.0599 (11)	0.0982 (16)	−0.0078 (9)	0.0310 (11)	−0.0142 (11)
N2	0.0603 (11)	0.0758 (13)	0.0732 (13)	−0.0305 (10)	0.0146 (10)	−0.0121 (10)
C1	0.0423 (9)	0.0392 (9)	0.0437 (9)	−0.0113 (7)	0.0146 (8)	0.0046 (7)
C2	0.0374 (9)	0.0395 (9)	0.0481 (10)	−0.0079 (7)	0.0149 (8)	0.0015 (8)
C3	0.0381 (9)	0.0376 (9)	0.0420 (9)	−0.0097 (7)	0.0131 (7)	0.0051 (7)
C4	0.0451 (10)	0.0410 (9)	0.0478 (10)	−0.0138 (8)	0.0211 (8)	−0.0020 (8)
C5	0.0441 (10)	0.0459 (10)	0.0519 (10)	−0.0091 (8)	0.0239 (8)	0.0033 (8)
C6	0.0380 (9)	0.0669 (13)	0.0573 (11)	−0.0149 (9)	0.0203 (9)	−0.0023 (10)
C7	0.0412 (10)	0.0614 (12)	0.0523 (11)	−0.0215 (9)	0.0150 (8)	−0.0061 (9)
C8	0.0420 (9)	0.0410 (9)	0.0476 (10)	−0.0140 (8)	0.0127 (8)	0.0015 (8)
C9	0.0502 (11)	0.0385 (9)	0.0556 (11)	−0.0129 (8)	0.0150 (9)	−0.0064 (8)
C10	0.0516 (11)	0.0480 (10)	0.0516 (11)	−0.0156 (9)	0.0170 (9)	−0.0031 (9)
C11	0.0400 (9)	0.0450 (10)	0.0535 (11)	−0.0069 (8)	0.0174 (8)	−0.0004 (8)
C12	0.0409 (10)	0.0513 (11)	0.0620 (12)	−0.0081 (8)	0.0197 (9)	0.0055 (9)
C13	0.0342 (9)	0.0500 (11)	0.0722 (14)	−0.0045 (8)	0.0134 (9)	0.0013 (10)
C14	0.0499 (11)	0.0618 (13)	0.0664 (13)	−0.0045 (10)	0.0190 (10)	0.0025 (11)
C15	0.0465 (10)	0.0552 (11)	0.0626 (12)	−0.0114 (9)	0.0277 (9)	−0.0026 (9)
C16	0.0513 (11)	0.0504 (11)	0.0659 (12)	−0.0130 (9)	0.0302 (10)	−0.0004 (9)
C17	0.0525 (11)	0.0480 (11)	0.0603 (12)	−0.0134 (9)	0.0185 (9)	0.0081 (9)
C18	0.0498 (11)	0.0387 (10)	0.0663 (12)	−0.0071 (8)	0.0190 (9)	0.0016 (9)
C19	0.0595 (12)	0.0511 (11)	0.0785 (15)	−0.0100 (10)	0.0424 (11)	−0.0090 (10)
C20	0.0654 (13)	0.0550 (12)	0.0697 (13)	−0.0160 (10)	0.0441 (11)	−0.0078 (10)

Geometric parameters (Å, º)

S1—C3	1.7586 (18)	C1—C2	1.420 (2)
S1—C11	1.8094 (19)	C1—C7	1.434 (3)
S2—C5	1.7572 (19)	C2—C3	1.368 (3)
S2—C20	1.803 (2)	C3—C4	1.432 (3)
O1—C12	1.412 (3)	C4—C5	1.359 (3)
O1—C13	1.426 (2)	C5—C6	1.441 (3)
O2—C15	1.405 (2)	C6—C7	1.339 (3)
O2—C14	1.427 (3)	C8—C9	1.421 (3)
O3—C17	1.408 (2)	C8—C10	1.423 (3)
O3—C16	1.409 (2)	C11—C12	1.509 (3)
O4—C19	1.416 (2)	C13—C14	1.498 (3)
O4—C18	1.417 (2)	C15—C16	1.494 (3)
N1—C9	1.146 (3)	C17—C18	1.491 (3)
N2—C10	1.141 (3)	C19—C20	1.499 (3)
C1—C8	1.397 (3)
C3—S1—C11	105.03 (9)	C7—C6—C5	131.12 (18)
C5—S2—C20	107.41 (10)	C6—C7—C1	130.33 (18)
C12—O1—C13	113.73 (16)	C1—C8—C9	121.87 (16)
C15—O2—C14	113.56 (17)	C1—C8—C10	122.73 (17)
C17—O3—C16	113.43 (16)	C9—C8—C10	115.39 (17)
C19—O4—C18	110.62 (15)	N1—C9—C8	179.1 (2)
C8—C1—C2	118.20 (16)	N2—C10—C8	178.6 (2)
C8—C1—C7	118.28 (16)	C12—C11—S1	109.31 (14)
C2—C1—C7	123.52 (17)	O1—C12—C11	107.93 (16)
C3—C2—C1	130.80 (17)	O1—C13—C14	111.31 (17)
C2—C3—C4	129.67 (16)	O2—C14—C13	110.25 (19)
C2—C3—S1	120.13 (14)	O2—C15—C16	108.56 (17)
C4—C3—S1	110.17 (13)	O3—C16—C15	106.47 (17)
C5—C4—C3	127.83 (17)	O3—C17—C18	109.04 (17)
C4—C5—C6	126.56 (17)	O4—C18—C17	110.42 (16)
C4—C5—S2	123.96 (15)	O4—C19—C20	110.45 (16)
C6—C5—S2	109.48 (14)	C19—C20—S2	117.12 (18)
C8—C1—C2—C3	177.62 (19)	C7—C1—C8—C10	−0.7 (3)
C7—C1—C2—C3	−2.9 (3)	C1—C8—C9—N1	−51 (15)
C1—C2—C3—C4	−0.9 (3)	C10—C8—C9—N1	128 (15)
C1—C2—C3—S1	−178.73 (16)	C1—C8—C10—N2	132 (10)
C11—S1—C3—C2	8.51 (17)	C9—C8—C10—N2	−46 (10)
C11—S1—C3—C4	−169.73 (13)	C3—S1—C11—C12	173.66 (13)
C2—C3—C4—C5	1.2 (3)	C13—O1—C12—C11	−176.08 (16)
S1—C3—C4—C5	179.21 (17)	S1—C11—C12—O1	69.71 (18)
C3—C4—C5—C6	1.4 (3)	C12—O1—C13—C14	105.8 (2)
C3—C4—C5—S2	−177.26 (15)	C15—O2—C14—C13	119.9 (2)
C20—S2—C5—C4	−27.1 (2)	O1—C13—C14—O2	−65.6 (2)
C20—S2—C5—C6	154.05 (15)	C14—O2—C15—C16	−168.79 (17)
C4—C5—C6—C7	−1.5 (4)	C17—O3—C16—C15	−178.89 (16)
S2—C5—C6—C7	177.3 (2)	O2—C15—C16—O3	174.74 (16)
C5—C6—C7—C1	−2.6 (4)	C16—O3—C17—C18	173.34 (16)
C8—C1—C7—C6	−175.4 (2)	C19—O4—C18—C17	176.71 (18)
C2—C1—C7—C6	5.2 (4)	O3—C17—C18—O4	−67.9 (2)
C2—C1—C8—C9	−2.3 (3)	C18—O4—C19—C20	−166.48 (19)
C7—C1—C8—C9	178.18 (19)	O4—C19—C20—S2	−77.3 (2)
C2—C1—C8—C10	178.80 (18)	C5—S2—C20—C19	101.45 (17)

(II)

Crystal data

C20H24Cl2HgN2O4S2	F(000) = 2688
Mr = 692.02	Dx = 1.842 Mg m^−3
Monoclinic, P21/a	Cu Kα radiation, λ = 1.54184 Å
a = 15.387 (5) Å	Cell parameters from 22 reflections
b = 22.349 (5) Å	θ = 19.9–42.1°
c = 14.579 (5) Å	µ = 14.84 mm^−1
β = 95.337 (5)°	T = 296 K
V = 4992 (3) Å^3	Prism, red
Z = 8	0.15 × 0.10 × 0.10 mm

Data collection

Enraf-Nonius FR590 diffractometer	4883 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.052
Graphite monochromator	θmax = 65.0°, θmin = 3.0°
ω–2θ scans	h = −18→18
Absorption correction: empirical (using intensity measurements) via ψ scans (North et al., 1968)	k = −26→0
Tmin = 0.179, Tmax = 0.227	l = 0→17
8840 measured reflections	3 standard reflections every 120 min
8483 independent reflections	intensity decay: 6.4%

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)] = 0.052	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.137	H-atom parameters constrained
S = 1.01	w = 1/[σ^2(Fo^2) + (0.0584P)^2] where P = (Fo^2 + 2Fc^2)/3
8483 reflections	(Δ/σ)max < 0.001
559 parameters	Δρmax = 1.06 e Å^−3
0 restraints	Δρmin = −1.48 e Å^−3

Special details

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
Hg1	−0.07028 (3)	−0.18514 (2)	0.35260 (4)	0.03935 (15)
Hg2	−0.38325 (3)	−0.08054 (3)	−0.29278 (4)	0.04392 (16)
Cl1	0.0391 (2)	−0.25408 (15)	0.3439 (3)	0.0559 (9)
Cl2	−0.1778 (2)	−0.11403 (16)	0.3300 (2)	0.0559 (9)
Cl3	−0.2394 (2)	−0.06090 (19)	−0.2429 (3)	0.0706 (11)
Cl4	−0.5301 (2)	−0.10209 (17)	−0.3246 (3)	0.0628 (10)
S1	0.0553 (2)	−0.08845 (14)	0.2607 (2)	0.0442 (8)
S2	−0.1248 (2)	−0.20521 (14)	−0.0075 (2)	0.0461 (8)
S3	−0.4529 (2)	0.00811 (14)	−0.1497 (2)	0.0391 (7)
S4	−0.4086 (2)	−0.19292 (15)	0.0285 (3)	0.0527 (9)
O1	0.0202 (6)	−0.0885 (4)	0.4650 (6)	0.050 (2)
O2	−0.0519 (5)	−0.1964 (4)	0.5362 (5)	0.042 (2)
O3	−0.1836 (5)	−0.2583 (4)	0.4318 (6)	0.042 (2)
O4	−0.1753 (5)	−0.2721 (4)	0.2350 (5)	0.038 (2)
O5	−0.3944 (5)	0.0554 (4)	−0.3279 (5)	0.041 (2)
O6	−0.3728 (5)	−0.0408 (4)	−0.4594 (5)	0.041 (2)
O7	−0.3256 (6)	−0.1598 (4)	−0.4092 (6)	0.047 (2)
O8	−0.3811 (6)	−0.2061 (4)	−0.2388 (7)	0.055 (2)
N1	−0.1949 (9)	0.1215 (6)	−0.0773 (9)	0.073 (4)
N2	−0.0447 (11)	0.1422 (6)	0.1801 (9)	0.091 (5)
N3	−0.2282 (9)	0.0524 (6)	0.3319 (10)	0.084 (5)
N4	−0.3259 (10)	0.1701 (6)	0.1111 (9)	0.082 (5)
C1	−0.0912 (7)	0.0090 (5)	0.0634 (8)	0.032 (3)
C2	−0.0385 (7)	−0.0139 (5)	0.1397 (8)	0.035 (3)
H2	−0.0153	0.0148	0.1811	0.041*
C3	−0.0162 (7)	−0.0708 (5)	0.1623 (8)	0.037 (3)
C4	−0.0421 (8)	−0.1260 (6)	0.1168 (9)	0.041 (3)
H4	−0.0196	−0.1606	0.1454	0.050*
C5	−0.0953 (7)	−0.1346 (5)	0.0369 (8)	0.032 (3)
C6	−0.1313 (8)	−0.0879 (5)	−0.0216 (8)	0.040 (3)
H6	−0.1603	−0.1011	−0.0767	0.048*
C7	−0.1307 (7)	−0.0273 (6)	−0.0110 (9)	0.041 (3)
H7	−0.1603	−0.0061	−0.0592	0.050*
C8	−0.1061 (8)	0.0708 (5)	0.0560 (8)	0.034 (3)
C9	−0.1570 (9)	0.0980 (5)	−0.0178 (10)	0.045 (3)
C10	−0.0707 (11)	0.1098 (6)	0.1256 (11)	0.063 (4)
C11	0.0470 (10)	−0.0266 (6)	0.3379 (8)	0.054 (4)
H11A	0.0817	0.0068	0.3195	0.065*
H11B	−0.0132	−0.0137	0.3374	0.065*
C12	0.0809 (9)	−0.0482 (6)	0.4335 (9)	0.054 (4)
H12A	0.1369	−0.0678	0.4312	0.064*
H12B	0.0887	−0.0144	0.4753	0.064*
C13	0.0491 (10)	−0.1140 (7)	0.5517 (10)	0.066 (4)
H13A	0.0724	−0.0830	0.5937	0.079*
H13B	0.0951	−0.1429	0.5444	0.079*
C14	−0.0264 (10)	−0.1443 (6)	0.5901 (9)	0.055 (4)
H14A	−0.0101	−0.1559	0.6535	0.065*
H14B	−0.0752	−0.1167	0.5893	0.065*
C15	−0.1166 (8)	−0.2307 (6)	0.5769 (8)	0.045 (3)
H15A	−0.1666	−0.2057	0.5861	0.054*
H15B	−0.0930	−0.2458	0.6365	0.054*
C16	−0.1438 (8)	−0.2811 (6)	0.5154 (9)	0.049 (4)
H16A	−0.0934	−0.3051	0.5039	0.058*
H16B	−0.1846	−0.3064	0.5442	0.058*
C17	−0.2280 (8)	−0.3029 (5)	0.3740 (8)	0.041 (3)
H17A	−0.2799	−0.3161	0.4013	0.050*
H17B	−0.1902	−0.3373	0.3693	0.050*
C18	−0.2529 (7)	−0.2787 (6)	0.2816 (8)	0.041 (3)
H18A	−0.2933	−0.3057	0.2474	0.049*
H18B	−0.2813	−0.2402	0.2863	0.049*
C19	−0.1930 (7)	−0.2428 (5)	0.1481 (8)	0.036 (3)
H19A	−0.2000	−0.2002	0.1574	0.043*
H19B	−0.2465	−0.2582	0.1165	0.043*
C20	−0.1186 (8)	−0.2539 (5)	0.0919 (8)	0.039 (3)
H20A	−0.1196	−0.2952	0.0717	0.046*
H20B	−0.0640	−0.2470	0.1293	0.046*
C21	−0.3254 (7)	0.0143 (6)	0.1129 (8)	0.034 (3)
C22	−0.3634 (7)	0.0246 (5)	0.0190 (8)	0.031 (3)
H22	−0.3614	0.0640	−0.0012	0.038*
C23	−0.4010 (8)	−0.0145 (5)	−0.0430 (8)	0.035 (3)
C24	−0.4142 (7)	−0.0776 (5)	−0.0364 (9)	0.039 (3)
H24	−0.4457	−0.0949	−0.0872	0.047*
C25	−0.3876 (7)	−0.1165 (5)	0.0335 (9)	0.037 (3)
C26	−0.3397 (8)	−0.0986 (6)	0.1197 (9)	0.045 (3)
H26	−0.3249	−0.1297	0.1605	0.054*
C27	−0.3139 (8)	−0.0451 (6)	0.1492 (8)	0.044 (3)
H27	−0.2809	−0.0462	0.2060	0.053*
C28	−0.3001 (8)	0.0626 (6)	0.1681 (9)	0.042 (3)
C29	−0.2627 (9)	0.0570 (7)	0.2608 (11)	0.052 (4)
C30	−0.3133 (9)	0.1217 (7)	0.1374 (9)	0.049 (4)
C31	−0.4160 (8)	0.0829 (5)	−0.1742 (8)	0.042 (3)
H31A	−0.4424	0.1120	−0.1360	0.051*
H31B	−0.3531	0.0857	−0.1625	0.051*
C32	−0.4441 (9)	0.0937 (5)	−0.2744 (8)	0.043 (3)
H32A	−0.5058	0.0852	−0.2872	0.052*
H32B	−0.4341	0.1352	−0.2899	0.052*
C33	−0.4211 (9)	0.0567 (6)	−0.4227 (8)	0.050 (4)
H33A	−0.4223	0.0977	−0.4448	0.059*
H33B	−0.4793	0.0401	−0.4342	0.059*
C34	−0.3580 (9)	0.0206 (6)	−0.4722 (9)	0.049 (4)
H34A	−0.3650	0.0301	−0.5374	0.059*
H34B	−0.2987	0.0307	−0.4487	0.059*
C35	−0.3184 (9)	−0.0771 (6)	−0.5109 (10)	0.062 (4)
H35A	−0.2577	−0.0717	−0.4879	0.074*
H35B	−0.3251	−0.0655	−0.5752	0.074*
C36	−0.3443 (9)	−0.1415 (6)	−0.5012 (9)	0.053 (4)
H36A	−0.4063	−0.1461	−0.5193	0.064*
H36B	−0.3126	−0.1663	−0.5413	0.064*
C37	−0.3523 (9)	−0.2203 (6)	−0.3940 (10)	0.053 (4)
H37A	−0.3251	−0.2472	−0.4350	0.064*
H37B	−0.4151	−0.2238	−0.4062	0.064*
C38	−0.3252 (9)	−0.2358 (6)	−0.2969 (11)	0.059 (4)
H38A	−0.3288	−0.2788	−0.2883	0.071*
H38B	−0.2652	−0.2236	−0.2810	0.071*
C39	−0.3542 (9)	−0.2099 (6)	−0.1438 (10)	0.054 (4)
H39A	−0.3170	−0.1763	−0.1248	0.064*
H39B	−0.3215	−0.2465	−0.1307	0.064*
C40	−0.4346 (9)	−0.2095 (6)	−0.0929 (9)	0.049 (4)
H40A	−0.4630	−0.2482	−0.0992	0.059*
H40B	−0.4751	−0.1797	−0.1199	0.059*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Hg1	0.0362 (3)	0.0418 (3)	0.0404 (3)	0.0069 (3)	0.0058 (2)	0.0016 (3)
Hg2	0.0450 (3)	0.0482 (3)	0.0392 (3)	−0.0013 (3)	0.0072 (2)	−0.0037 (3)
Cl1	0.0414 (19)	0.047 (2)	0.081 (3)	0.0113 (15)	0.0117 (17)	−0.0022 (19)
Cl2	0.053 (2)	0.056 (2)	0.059 (2)	0.0232 (17)	0.0103 (16)	0.0041 (18)
Cl3	0.052 (2)	0.091 (3)	0.066 (3)	−0.011 (2)	−0.0092 (18)	0.007 (2)
Cl4	0.044 (2)	0.073 (3)	0.072 (3)	−0.0135 (18)	0.0081 (17)	−0.012 (2)
S1	0.0492 (19)	0.040 (2)	0.0427 (19)	0.0040 (15)	−0.0001 (15)	−0.0026 (15)
S2	0.074 (2)	0.0314 (18)	0.0341 (18)	−0.0017 (16)	0.0086 (16)	−0.0027 (14)
S3	0.0521 (19)	0.0297 (17)	0.0357 (17)	−0.0014 (14)	0.0052 (15)	0.0002 (14)
S4	0.066 (2)	0.0328 (19)	0.061 (2)	0.0002 (16)	0.0181 (18)	0.0099 (17)
O1	0.060 (6)	0.043 (6)	0.045 (5)	−0.013 (5)	−0.007 (5)	0.004 (4)
O2	0.053 (5)	0.043 (6)	0.029 (5)	−0.001 (4)	0.001 (4)	−0.008 (4)
O3	0.047 (5)	0.038 (5)	0.042 (5)	0.007 (4)	0.005 (4)	0.008 (4)
O4	0.030 (4)	0.049 (5)	0.035 (5)	0.007 (4)	0.010 (4)	0.007 (4)
O5	0.055 (5)	0.040 (5)	0.029 (5)	0.004 (4)	0.002 (4)	0.000 (4)
O6	0.045 (5)	0.050 (6)	0.030 (5)	−0.003 (4)	0.012 (4)	−0.003 (4)
O7	0.065 (6)	0.032 (5)	0.045 (6)	0.007 (4)	0.013 (5)	−0.004 (4)
O8	0.054 (6)	0.055 (6)	0.058 (6)	0.014 (5)	0.018 (5)	0.001 (5)
N1	0.085 (10)	0.053 (9)	0.077 (10)	0.017 (7)	−0.006 (8)	0.015 (8)
N2	0.175 (16)	0.032 (8)	0.061 (9)	0.011 (9)	−0.014 (10)	−0.004 (7)
N3	0.089 (11)	0.089 (11)	0.068 (10)	−0.020 (9)	−0.033 (8)	0.017 (8)
N4	0.135 (13)	0.067 (10)	0.044 (8)	−0.020 (9)	0.005 (8)	−0.009 (7)
C1	0.035 (7)	0.026 (7)	0.038 (7)	0.001 (5)	0.014 (6)	0.009 (6)
C2	0.043 (7)	0.027 (7)	0.035 (7)	−0.010 (6)	0.012 (6)	0.004 (6)
C3	0.035 (7)	0.038 (8)	0.039 (7)	−0.002 (6)	0.012 (5)	0.007 (6)
C4	0.043 (8)	0.032 (7)	0.050 (8)	0.002 (6)	0.004 (6)	0.011 (6)
C5	0.035 (7)	0.030 (7)	0.033 (7)	−0.002 (5)	0.014 (5)	0.003 (5)
C6	0.048 (8)	0.035 (8)	0.035 (7)	−0.004 (6)	−0.003 (6)	0.015 (6)
C7	0.035 (7)	0.053 (9)	0.038 (8)	−0.011 (6)	0.016 (6)	0.004 (6)
C8	0.052 (8)	0.016 (6)	0.034 (7)	0.010 (5)	0.011 (6)	0.000 (5)
C9	0.060 (9)	0.018 (7)	0.057 (9)	0.004 (6)	0.018 (7)	0.011 (6)
C10	0.102 (13)	0.029 (8)	0.057 (10)	0.003 (8)	0.010 (9)	0.003 (8)
C11	0.093 (11)	0.034 (8)	0.035 (8)	−0.015 (8)	0.005 (7)	−0.001 (6)
C12	0.069 (10)	0.042 (8)	0.050 (9)	−0.012 (7)	−0.001 (7)	−0.010 (7)
C13	0.066 (10)	0.063 (11)	0.063 (10)	−0.004 (8)	−0.020 (8)	−0.007 (9)
C14	0.082 (11)	0.048 (9)	0.032 (8)	−0.014 (8)	0.000 (7)	−0.003 (7)
C15	0.055 (8)	0.051 (9)	0.030 (7)	0.003 (7)	0.015 (6)	0.005 (6)
C16	0.051 (8)	0.043 (8)	0.055 (9)	0.007 (7)	0.019 (7)	0.020 (7)
C17	0.050 (8)	0.031 (7)	0.047 (8)	−0.007 (6)	0.026 (6)	0.009 (6)
C18	0.042 (7)	0.038 (8)	0.042 (8)	−0.013 (6)	0.009 (6)	0.000 (6)
C19	0.036 (7)	0.024 (7)	0.047 (8)	−0.003 (5)	0.002 (6)	0.010 (6)
C20	0.055 (8)	0.026 (7)	0.037 (7)	−0.001 (6)	0.015 (6)	0.002 (6)
C21	0.024 (6)	0.040 (8)	0.039 (7)	0.004 (5)	0.005 (5)	−0.001 (6)
C22	0.034 (7)	0.017 (6)	0.044 (7)	−0.006 (5)	0.010 (6)	0.002 (5)
C23	0.052 (8)	0.023 (6)	0.033 (7)	0.010 (6)	0.016 (6)	−0.003 (5)
C24	0.036 (7)	0.033 (7)	0.045 (8)	0.001 (6)	−0.006 (6)	0.001 (6)
C25	0.038 (7)	0.029 (7)	0.045 (8)	−0.007 (6)	0.017 (6)	−0.005 (6)
C26	0.054 (8)	0.037 (8)	0.043 (8)	0.016 (6)	0.007 (7)	0.009 (6)
C27	0.048 (8)	0.056 (9)	0.027 (7)	0.017 (7)	−0.012 (6)	0.003 (6)
C28	0.039 (7)	0.038 (8)	0.049 (8)	0.001 (6)	0.002 (6)	0.001 (6)
C29	0.040 (8)	0.059 (10)	0.054 (9)	−0.002 (7)	−0.003 (7)	−0.003 (8)
C30	0.052 (9)	0.060 (10)	0.035 (8)	−0.014 (8)	−0.003 (6)	−0.007 (7)
C31	0.056 (8)	0.034 (7)	0.039 (7)	−0.005 (6)	0.021 (6)	0.001 (6)
C32	0.072 (9)	0.024 (7)	0.034 (7)	−0.001 (6)	0.009 (7)	0.007 (5)
C33	0.080 (10)	0.033 (7)	0.035 (7)	−0.002 (7)	0.000 (7)	0.008 (6)
C34	0.068 (10)	0.041 (8)	0.038 (8)	−0.013 (7)	0.009 (7)	0.002 (7)
C35	0.068 (10)	0.063 (10)	0.061 (10)	−0.003 (8)	0.041 (8)	−0.012 (8)
C36	0.059 (9)	0.056 (10)	0.047 (9)	0.003 (7)	0.013 (7)	0.001 (7)
C37	0.048 (9)	0.043 (9)	0.071 (11)	0.003 (7)	0.012 (8)	−0.008 (8)
C38	0.058 (10)	0.035 (8)	0.085 (12)	0.000 (7)	0.009 (9)	−0.009 (8)
C39	0.061 (9)	0.039 (8)	0.064 (10)	0.006 (7)	0.024 (8)	0.004 (7)
C40	0.069 (10)	0.020 (7)	0.060 (9)	−0.008 (6)	0.011 (8)	−0.008 (6)

Geometric parameters (Å, º)

Hg1—Cl1	2.294 (3)	O8—C39	1.410 (15)
Hg1—Cl2	2.295 (3)	O8—C38	1.427 (15)
Hg1—O2	2.677 (8)	N1—C9	1.129 (16)
Hg1—O3	2.725 (8)	N2—C10	1.121 (17)
Hg1—O4	2.969 (8)	N3—C29	1.124 (16)
Hg1—O1	2.978 (8)	N4—C30	1.158 (17)
Hg1—S1	3.268 (3)	C1—C8	1.403 (14)
Hg2—Cl3	2.307 (4)	C1—C2	1.411 (15)
Hg2—Cl4	2.314 (3)	C1—C7	1.443 (16)
Hg2—O6	2.606 (8)	C2—C3	1.348 (15)
Hg2—O7	2.661 (8)	C3—C4	1.439 (16)
Hg2—O8	2.913 (9)	C4—C5	1.374 (16)
Hg2—O5	3.083 (8)	C5—C6	1.426 (15)
Hg2—S3	3.138 (3)	C6—C7	1.363 (16)
S1—C3	1.770 (12)	C8—C10	1.408 (19)
S1—C11	1.794 (13)	C8—C9	1.410 (17)
S2—C5	1.750 (12)	C11—C12	1.520 (17)
S2—C20	1.806 (11)	C13—C14	1.497 (18)
S3—C23	1.755 (12)	C15—C16	1.476 (17)
S3—C31	1.811 (12)	C17—C18	1.468 (16)
S4—C25	1.738 (12)	C19—C20	1.489 (15)
S4—C40	1.816 (13)	C21—C28	1.382 (16)
O1—C12	1.404 (14)	C21—C27	1.434 (16)
O1—C13	1.421 (15)	C21—C22	1.456 (15)
O2—C15	1.430 (13)	C22—C23	1.348 (15)
O2—C14	1.440 (14)	C23—C24	1.430 (15)
O3—C16	1.407 (14)	C24—C25	1.374 (16)
O3—C17	1.436 (14)	C25—C26	1.453 (17)
O4—C19	1.430 (12)	C26—C27	1.319 (17)
O4—C18	1.435 (12)	C28—C30	1.403 (19)
O5—C33	1.406 (13)	C28—C29	1.424 (18)
O5—C32	1.426 (13)	C31—C32	1.505 (15)
O6—C34	1.408 (14)	C33—C34	1.497 (17)
O6—C35	1.427 (14)	C35—C36	1.504 (18)
O7—C36	1.407 (14)	C37—C38	1.481 (18)
O7—C37	1.437 (15)	C39—C40	1.501 (16)
Cl1—Hg1—Cl2	168.43 (13)	C5—C4—Hg1	128.1 (8)
Cl1—Hg1—O2	89.0 (2)	C3—C4—Hg1	86.0 (7)
Cl2—Hg1—O2	102.51 (19)	C4—C5—C6	124.9 (11)
Cl1—Hg1—O3	96.99 (19)	C4—C5—S2	123.6 (9)
Cl2—Hg1—O3	89.75 (19)	C6—C5—S2	111.5 (9)
O2—Hg1—O3	62.1 (2)	C7—C6—C5	131.4 (12)
Cl1—Hg1—O4	83.73 (17)	C6—C7—C1	129.9 (12)
Cl2—Hg1—O4	91.39 (17)	C1—C8—C10	120.4 (11)
O2—Hg1—O4	121.1 (2)	C1—C8—C9	124.0 (11)
O3—Hg1—O4	61.1 (2)	C10—C8—C9	115.7 (11)
Cl1—Hg1—O1	102.1 (2)	N1—C9—C8	177.1 (15)
Cl2—Hg1—O1	82.6 (2)	N2—C10—C8	177.7 (18)
O2—Hg1—O1	61.2 (2)	C12—C11—S1	107.0 (9)
O3—Hg1—O1	119.2 (2)	C12—C11—Hg1	77.7 (7)
O4—Hg1—O1	173.9 (2)	S1—C11—Hg1	53.8 (4)
Cl1—Hg1—S1	87.51 (11)	O1—C12—C11	108.7 (11)
Cl2—Hg1—S1	85.93 (11)	O1—C12—Hg1	37.9 (5)
O2—Hg1—S1	117.42 (18)	C11—C12—Hg1	80.2 (7)
O3—Hg1—S1	175.43 (18)	O1—C13—C14	108.9 (11)
O4—Hg1—S1	120.48 (16)	O1—C13—Hg1	51.3 (6)
O1—Hg1—S1	58.76 (18)	C14—C13—Hg1	75.5 (7)
Cl3—Hg2—Cl4	173.18 (14)	O2—C14—C13	110.1 (11)
Cl3—Hg2—O6	95.1 (2)	O2—C14—Hg1	41.3 (5)
Cl4—Hg2—O6	91.6 (2)	C13—C14—Hg1	80.6 (8)
Cl3—Hg2—O7	87.7 (2)	O2—C15—C16	109.0 (10)
Cl4—Hg2—O7	96.4 (2)	O2—C15—Hg1	42.1 (5)
O6—Hg2—O7	65.1 (3)	C16—C15—Hg1	74.3 (7)
Cl3—Hg2—O8	96.4 (2)	O3—C16—C15	109.0 (10)
Cl4—Hg2—O8	80.8 (2)	O3—C16—Hg1	47.7 (5)
O6—Hg2—O8	125.5 (3)	C15—C16—Hg1	81.5 (7)
O7—Hg2—O8	62.3 (3)	O3—C17—C18	110.6 (9)
Cl3—Hg2—O5	84.36 (18)	O3—C17—Hg1	42.2 (5)
Cl4—Hg2—O5	97.68 (18)	C18—C17—Hg1	76.8 (6)
O6—Hg2—O5	61.1 (2)	O4—C18—C17	108.4 (10)
O7—Hg2—O5	124.5 (2)	O4—C18—Hg1	54.0 (5)
O8—Hg2—O5	173.2 (2)	C17—C18—Hg1	79.6 (6)
Cl3—Hg2—S3	92.71 (12)	O4—C19—C20	108.6 (9)
Cl4—Hg2—S3	82.94 (11)	O4—C19—Hg1	52.5 (5)
O6—Hg2—S3	117.36 (19)	C20—C19—Hg1	98.3 (7)
O7—Hg2—S3	177.4 (2)	C19—C20—S2	110.9 (8)
O8—Hg2—S3	115.11 (19)	C28—C21—C27	119.4 (11)
O5—Hg2—S3	58.06 (16)	C28—C21—C22	119.3 (11)
C3—S1—C11	105.2 (6)	C27—C21—C22	121.3 (11)
C3—S1—Hg1	97.6 (4)	C23—C22—C21	129.5 (11)
C11—S1—Hg1	100.0 (4)	C22—C23—C24	130.5 (11)
C5—S2—C20	104.7 (6)	C22—C23—S3	122.6 (9)
C5—S2—Hg1	62.7 (4)	C24—C23—S3	106.7 (9)
C20—S2—Hg1	42.2 (4)	C22—C23—Hg2	142.7 (8)
C23—S3—C31	108.4 (6)	C24—C23—Hg2	73.5 (7)
C23—S3—Hg2	104.6 (4)	S3—C23—Hg2	50.0 (3)
C31—S3—Hg2	108.6 (4)	C25—C24—C23	129.8 (12)
C25—S4—C40	105.3 (6)	C25—C24—Hg2	131.3 (8)
C25—S4—Hg2	63.1 (4)	C23—C24—Hg2	85.4 (7)
C40—S4—Hg2	43.2 (4)	C24—C25—C26	124.0 (11)
C12—O1—C13	112.7 (10)	C24—C25—S4	123.4 (10)
C12—O1—Hg1	125.2 (7)	C26—C25—S4	112.6 (10)
C13—O1—Hg1	106.8 (7)	C27—C26—C25	130.2 (12)
C15—O2—C14	111.8 (9)	C26—C27—C21	134.0 (12)
C15—O2—Hg1	117.0 (7)	C21—C28—C30	121.7 (12)
C14—O2—Hg1	117.9 (7)	C21—C28—C29	123.4 (12)
C16—O3—C17	113.7 (9)	C30—C28—C29	114.8 (12)
C16—O3—Hg1	109.9 (7)	N3—C29—C28	175.7 (16)
C17—O3—Hg1	117.1 (6)	N4—C30—C28	178.6 (16)
C19—O4—C18	111.7 (8)	C32—C31—S3	105.8 (8)
C19—O4—Hg1	105.1 (6)	O5—C32—C31	108.3 (10)
C18—O4—Hg1	103.0 (6)	O5—C32—Hg2	40.8 (5)
C33—O5—C32	113.8 (9)	C31—C32—Hg2	82.1 (6)
C33—O5—Hg2	101.0 (7)	O5—C33—C34	108.6 (11)
C32—O5—Hg2	121.7 (6)	O5—C33—Hg2	56.6 (6)
C34—O6—C35	112.0 (10)	C34—C33—Hg2	73.5 (7)
C34—O6—Hg2	118.7 (7)	O6—C34—C33	110.0 (10)
C35—O6—Hg2	112.8 (8)	O6—C34—Hg2	40.7 (5)
C36—O7—C37	112.5 (10)	C33—C34—Hg2	82.3 (7)
C36—O7—Hg2	111.3 (7)	O6—C35—C36	108.7 (10)
C37—O7—Hg2	114.3 (7)	O6—C35—Hg2	44.6 (6)
C39—O8—C38	114.6 (10)	C36—C35—Hg2	77.8 (7)
C39—O8—Hg2	108.6 (8)	O7—C36—C35	109.5 (12)
C38—O8—Hg2	106.3 (7)	O7—C36—Hg2	46.2 (6)
C8—C1—C2	119.7 (11)	C35—C36—Hg2	76.9 (7)
C8—C1—C7	116.2 (11)	O7—C37—C38	107.9 (11)
C2—C1—C7	124.1 (11)	O7—C37—Hg2	43.8 (5)
C3—C2—C1	130.4 (12)	C38—C37—Hg2	81.0 (8)
C2—C3—C4	129.9 (12)	O8—C38—C37	109.1 (11)
C2—C3—S1	122.2 (10)	O8—C38—Hg2	51.2 (6)
C4—C3—S1	107.9 (9)	C37—C38—Hg2	75.0 (7)
C2—C3—Hg1	136.2 (8)	O8—C39—C40	107.7 (11)
C4—C3—Hg1	72.5 (7)	O8—C39—Hg2	49.7 (6)
S1—C3—Hg1	55.8 (3)	C40—C39—Hg2	103.3 (8)
C5—C4—C3	129.0 (12)	C39—C40—S4	111.4 (10)
Cl1—Hg1—S1—C3	121.3 (4)	Cl1—Hg1—C15—C16	−68.0 (7)
Cl2—Hg1—S1—C3	−49.1 (4)	Cl2—Hg1—C15—C16	109.3 (7)
O2—Hg1—S1—C3	−151.1 (4)	O2—Hg1—C15—C16	−144.6 (12)
O3—Hg1—S1—C3	−68 (2)	O3—Hg1—C15—C16	28.1 (6)
O4—Hg1—S1—C3	40.1 (5)	O4—Hg1—C15—C16	16.4 (7)
O1—Hg1—S1—C3	−132.9 (5)	O1—Hg1—C15—C16	−169.6 (8)
Cl1—Hg1—S1—C11	−131.7 (5)	S1—Hg1—C15—C16	−158.7 (6)
Cl2—Hg1—S1—C11	57.8 (5)	C17—O3—C16—C15	−168.2 (10)
O2—Hg1—S1—C11	−44.2 (5)	Hg1—O3—C16—C15	58.2 (10)
O3—Hg1—S1—C11	38 (2)	C17—O3—C16—Hg1	133.6 (10)
O4—Hg1—S1—C11	147.0 (5)	O2—C15—C16—O3	−63.7 (13)
O1—Hg1—S1—C11	−25.9 (5)	Hg1—C15—C16—O3	−39.4 (8)
Cl1—Hg1—S2—C5	−119.1 (4)	O2—C15—C16—Hg1	−24.2 (8)
Cl2—Hg1—S2—C5	57.5 (4)	Cl1—Hg1—C16—O3	−122.6 (7)
O2—Hg1—S2—C5	176.3 (10)	Cl2—Hg1—C16—O3	50.4 (8)
O3—Hg1—S2—C5	144.7 (5)	O2—Hg1—C16—O3	143.4 (9)
O4—Hg1—S2—C5	156.0 (5)	O4—Hg1—C16—O3	−37.9 (7)
O1—Hg1—S2—C5	−16.4 (5)	O1—Hg1—C16—O3	136.2 (7)
S1—Hg1—S2—C5	−30.6 (4)	S1—Hg1—C16—O3	168.2 (5)
Cl1—Hg1—S2—C20	54.4 (6)	Cl1—Hg1—C16—C15	111.8 (7)
Cl2—Hg1—S2—C20	−129.0 (6)	Cl2—Hg1—C16—C15	−75.2 (7)
O2—Hg1—S2—C20	−10.2 (11)	O2—Hg1—C16—C15	17.7 (6)
O3—Hg1—S2—C20	−41.8 (6)	O3—Hg1—C16—C15	−125.7 (11)
O4—Hg1—S2—C20	−30.5 (6)	O4—Hg1—C16—C15	−163.6 (7)
O1—Hg1—S2—C20	157.1 (6)	O1—Hg1—C16—C15	10.5 (8)
S1—Hg1—S2—C20	142.9 (6)	S1—Hg1—C16—C15	42.5 (11)
Cl3—Hg2—S3—C23	−53.1 (4)	C16—O3—C17—C18	−169.0 (10)
Cl4—Hg2—S3—C23	121.6 (4)	Hg1—O3—C17—C18	−38.9 (11)
O6—Hg2—S3—C23	−150.2 (5)	C16—O3—C17—Hg1	−130.1 (11)
O7—Hg2—S3—C23	47 (4)	Cl1—Hg1—C17—O3	107.3 (7)
O8—Hg2—S3—C23	45.3 (5)	Cl2—Hg1—C17—O3	−83.9 (7)
O5—Hg2—S3—C23	−134.7 (5)	O2—Hg1—C17—O3	18.5 (7)
Cl3—Hg2—S3—C31	62.5 (5)	O4—Hg1—C17—O3	−173.6 (9)
Cl4—Hg2—S3—C31	−122.8 (5)	O1—Hg1—C17—O3	−3.0 (9)
O6—Hg2—S3—C31	−34.6 (5)	S1—Hg1—C17—O3	−167.4 (5)
O7—Hg2—S3—C31	162 (4)	Cl1—Hg1—C17—C18	−109.8 (7)
O8—Hg2—S3—C31	160.8 (5)	Cl2—Hg1—C17—C18	59.0 (7)
O5—Hg2—S3—C31	−19.2 (5)	O2—Hg1—C17—C18	161.4 (7)
Cl3—Hg2—S4—C25	64.2 (5)	O3—Hg1—C17—C18	142.9 (12)
Cl4—Hg2—S4—C25	−113.5 (5)	O4—Hg1—C17—C18	−30.7 (6)
O6—Hg2—S4—C25	174.2 (13)	O1—Hg1—C17—C18	139.9 (6)
O7—Hg2—S4—C25	151.1 (5)	S1—Hg1—C17—C18	−24.5 (11)
O8—Hg2—S4—C25	165.3 (5)	C19—O4—C18—C17	−173.8 (9)
O5—Hg2—S4—C25	−17.0 (5)	Hg1—O4—C18—C17	−61.5 (10)
S3—Hg2—S4—C25	−29.5 (4)	C19—O4—C18—Hg1	−112.3 (9)
Cl3—Hg2—S4—C40	−129.4 (6)	O3—C17—C18—O4	71.9 (12)
Cl4—Hg2—S4—C40	52.9 (6)	Hg1—C17—C18—O4	46.3 (7)
O6—Hg2—S4—C40	−19.4 (14)	O3—C17—C18—Hg1	25.6 (8)
O7—Hg2—S4—C40	−42.6 (7)	Cl1—Hg1—C18—O4	−49.9 (6)
O8—Hg2—S4—C40	−28.3 (7)	Cl2—Hg1—C18—O4	118.5 (6)
O5—Hg2—S4—C40	149.4 (7)	O2—Hg1—C18—O4	−141.0 (6)
S3—Hg2—S4—C40	136.8 (6)	O3—Hg1—C18—O4	−140.6 (8)
Cl1—Hg1—O1—C12	73.9 (9)	O1—Hg1—C18—O4	167.4 (5)
Cl2—Hg1—O1—C12	−95.4 (9)	S1—Hg1—C18—O4	46.2 (8)
O2—Hg1—O1—C12	155.9 (10)	Cl1—Hg1—C18—C17	72.1 (7)
O3—Hg1—O1—C12	179.1 (9)	Cl2—Hg1—C18—C17	−119.6 (7)
O4—Hg1—O1—C12	−90 (2)	O2—Hg1—C18—C17	−19.0 (7)
S1—Hg1—O1—C12	−5.6 (9)	O3—Hg1—C18—C17	−18.7 (6)
Cl1—Hg1—O1—C13	−61.1 (8)	O4—Hg1—C18—C17	122.0 (11)
Cl2—Hg1—O1—C13	129.6 (8)	O1—Hg1—C18—C17	−70.6 (10)
O2—Hg1—O1—C13	20.9 (8)	S1—Hg1—C18—C17	168.2 (5)
O3—Hg1—O1—C13	44.1 (9)	C18—O4—C19—C20	−162.8 (10)
O4—Hg1—O1—C13	135 (2)	Hg1—O4—C19—C20	86.2 (9)
S1—Hg1—O1—C13	−140.6 (9)	C18—O4—C19—Hg1	111.0 (9)
Cl1—Hg1—O2—C15	−103.9 (8)	Cl1—Hg1—C19—O4	66.8 (6)
Cl2—Hg1—O2—C15	77.5 (8)	Cl2—Hg1—C19—O4	−121.4 (6)
O3—Hg1—O2—C15	−5.5 (7)	O2—Hg1—C19—O4	−24.7 (8)
O4—Hg1—O2—C15	−21.9 (8)	O3—Hg1—C19—O4	−29.8 (6)
O1—Hg1—O2—C15	151.6 (8)	O1—Hg1—C19—O4	−169.3 (5)
S1—Hg1—O2—C15	169.4 (7)	S1—Hg1—C19—O4	154.8 (5)
Cl1—Hg1—O2—C14	118.3 (8)	Cl1—Hg1—C19—C20	−40.3 (6)
Cl2—Hg1—O2—C14	−60.3 (8)	Cl2—Hg1—C19—C20	131.4 (7)
O3—Hg1—O2—C14	−143.3 (9)	O2—Hg1—C19—C20	−131.9 (6)
O4—Hg1—O2—C14	−159.7 (8)	O3—Hg1—C19—C20	−137.0 (7)
O1—Hg1—O2—C14	13.8 (8)	O4—Hg1—C19—C20	−107.2 (9)
S1—Hg1—O2—C14	31.6 (9)	O1—Hg1—C19—C20	83.6 (9)
Cl1—Hg1—O3—C16	57.7 (7)	S1—Hg1—C19—C20	47.6 (7)
Cl2—Hg1—O3—C16	−131.7 (7)	O4—C19—C20—S2	−167.4 (7)
O2—Hg1—O3—C16	−27.4 (7)	Hg1—C19—C20—S2	−114.2 (6)
O4—Hg1—O3—C16	136.6 (8)	C5—S2—C20—C19	73.4 (10)
O1—Hg1—O3—C16	−50.4 (8)	Hg1—S2—C20—C19	67.4 (8)
S1—Hg1—O3—C16	−112 (2)	C28—C21—C22—C23	−171.9 (12)
Cl1—Hg1—O3—C17	−74.1 (7)	C27—C21—C22—C23	8.0 (19)
Cl2—Hg1—O3—C17	96.5 (7)	C21—C22—C23—C24	−1 (2)
O2—Hg1—O3—C17	−159.2 (8)	C21—C22—C23—S3	173.6 (9)
O4—Hg1—O3—C17	4.7 (7)	C21—C22—C23—Hg2	−121.2 (13)
O1—Hg1—O3—C17	177.8 (7)	C31—S3—C23—C22	18.4 (11)
S1—Hg1—O3—C17	116 (2)	Hg2—S3—C23—C22	134.1 (9)
Cl1—Hg1—O4—C19	−112.5 (6)	C31—S3—C23—C24	−166.0 (8)
Cl2—Hg1—O4—C19	57.0 (6)	Hg2—S3—C23—C24	−50.3 (8)
O2—Hg1—O4—C19	162.5 (6)	C31—S3—C23—Hg2	−115.7 (5)
O3—Hg1—O4—C19	146.0 (6)	Cl3—Hg2—C23—C22	31.7 (13)
O1—Hg1—O4—C19	52 (2)	Cl4—Hg2—C23—C22	−151.7 (13)
S1—Hg1—O4—C19	−29.1 (6)	O6—Hg2—C23—C22	−52.0 (14)
Cl1—Hg1—O4—C18	130.5 (6)	O7—Hg2—C23—C22	90.6 (14)
Cl2—Hg1—O4—C18	−60.0 (6)	O8—Hg2—C23—C22	126.9 (13)
O2—Hg1—O4—C18	45.5 (7)	O5—Hg2—C23—C22	−55.3 (13)
O3—Hg1—O4—C18	28.9 (6)	S3—Hg2—C23—C22	−93.5 (14)
O1—Hg1—O4—C18	−65 (2)	Cl3—Hg2—C23—C24	−105.1 (7)
S1—Hg1—O4—C18	−146.1 (6)	Cl4—Hg2—C23—C24	71.5 (7)
Cl3—Hg2—O5—C33	121.4 (7)	O6—Hg2—C23—C24	171.2 (6)
Cl4—Hg2—O5—C33	−65.2 (7)	O7—Hg2—C23—C24	−46.2 (10)
O6—Hg2—O5—C33	22.4 (7)	O8—Hg2—C23—C24	−9.9 (7)
O7—Hg2—O5—C33	38.0 (8)	O5—Hg2—C23—C24	167.9 (7)
O8—Hg2—O5—C33	−141.8 (19)	S3—Hg2—C23—C24	129.7 (9)
S3—Hg2—O5—C33	−141.9 (8)	Cl3—Hg2—C23—S3	125.2 (4)
Cl3—Hg2—O5—C32	−111.6 (8)	Cl4—Hg2—C23—S3	−58.2 (4)
Cl4—Hg2—O5—C32	61.8 (8)	O6—Hg2—C23—S3	41.5 (6)
O6—Hg2—O5—C32	149.4 (8)	O7—Hg2—C23—S3	−175.9 (4)
O7—Hg2—O5—C32	165.0 (8)	O8—Hg2—C23—S3	−139.6 (4)
O8—Hg2—O5—C32	−15 (2)	O5—Hg2—C23—S3	38.2 (4)
S3—Hg2—O5—C32	−14.9 (7)	C22—C23—C24—C25	−4 (2)
Cl3—Hg2—O6—C34	−66.5 (8)	S3—C23—C24—C25	−179.3 (11)
Cl4—Hg2—O6—C34	112.1 (8)	Hg2—C23—C24—C25	142.7 (13)
O7—Hg2—O6—C34	−151.6 (9)	C22—C23—C24—Hg2	−146.9 (12)
O8—Hg2—O6—C34	−168.1 (8)	S3—C23—C24—Hg2	37.9 (6)
O5—Hg2—O6—C34	14.2 (8)	Cl3—Hg2—C24—C25	−70.2 (10)
S3—Hg2—O6—C34	29.2 (9)	Cl4—Hg2—C24—C25	108.7 (10)
Cl3—Hg2—O6—C35	67.4 (8)	O6—Hg2—C24—C25	−158.1 (9)
Cl4—Hg2—O6—C35	−114.0 (8)	O7—Hg2—C24—C25	10.1 (12)
O7—Hg2—O6—C35	−17.7 (8)	O8—Hg2—C24—C25	28.1 (10)
O8—Hg2—O6—C35	−34.2 (9)	O5—Hg2—C24—C25	−153.6 (10)
O5—Hg2—O6—C35	148.1 (9)	S3—Hg2—C24—C25	−171.3 (12)
S3—Hg2—O6—C35	163.1 (8)	Cl3—Hg2—C24—C23	71.5 (7)
Cl3—Hg2—O7—C36	−113.1 (8)	Cl4—Hg2—C24—C23	−109.5 (7)
Cl4—Hg2—O7—C36	72.3 (8)	O6—Hg2—C24—C23	−16.4 (11)
O6—Hg2—O7—C36	−16.5 (8)	O7—Hg2—C24—C23	151.8 (6)
O8—Hg2—O7—C36	148.4 (9)	O8—Hg2—C24—C23	169.8 (7)
O5—Hg2—O7—C36	−31.6 (9)	O5—Hg2—C24—C23	−11.9 (7)
S3—Hg2—O7—C36	147 (4)	S3—Hg2—C24—C23	−29.6 (6)
Cl3—Hg2—O7—C37	118.0 (8)	C23—C24—C25—C26	2 (2)
Cl4—Hg2—O7—C37	−56.6 (8)	Hg2—C24—C25—C26	128.1 (11)
O6—Hg2—O7—C37	−145.4 (9)	C23—C24—C25—S4	−179.0 (10)
O8—Hg2—O7—C37	19.5 (8)	Hg2—C24—C25—S4	−52.5 (14)
O5—Hg2—O7—C37	−160.4 (7)	C40—S4—C25—C24	18.7 (12)
S3—Hg2—O7—C37	18 (5)	Hg2—S4—C25—C24	28.4 (9)
Cl3—Hg2—O8—C39	56.6 (7)	C40—S4—C25—C26	−161.8 (9)
Cl4—Hg2—O8—C39	−117.2 (7)	Hg2—S4—C25—C26	−152.2 (10)
O6—Hg2—O8—C39	157.4 (7)	C24—C25—C26—C27	1 (2)
O7—Hg2—O8—C39	140.6 (8)	S4—C25—C26—C27	−178.4 (12)
O5—Hg2—O8—C39	−40 (2)	C25—C26—C27—C21	4 (3)
S3—Hg2—O8—C39	−39.5 (8)	C28—C21—C27—C26	170.5 (14)
Cl3—Hg2—O8—C38	−67.2 (8)	C22—C21—C27—C26	−9 (2)
Cl4—Hg2—O8—C38	119.1 (8)	C27—C21—C28—C30	−177.2 (12)
O6—Hg2—O8—C38	33.7 (9)	C22—C21—C28—C30	2.7 (18)
O7—Hg2—O8—C38	16.8 (8)	C27—C21—C28—C29	−0.2 (18)
O5—Hg2—O8—C38	−163.3 (18)	C22—C21—C28—C29	179.7 (11)
S3—Hg2—O8—C38	−163.2 (7)	C21—C28—C29—N3	90 (23)
C8—C1—C2—C3	178.8 (11)	C30—C28—C29—N3	−93 (23)
C7—C1—C2—C3	−2.7 (19)	C21—C28—C30—N4	34 (73)
C1—C2—C3—C4	−2 (2)	C29—C28—C30—N4	−144 (72)
C1—C2—C3—S1	177.5 (9)	C23—S3—C31—C32	166.3 (8)
C1—C2—C3—Hg1	−110.2 (14)	Hg2—S3—C31—C32	53.1 (9)
C11—S1—C3—C2	24.6 (11)	C33—O5—C32—C31	173.6 (10)
Hg1—S1—C3—C2	127.1 (9)	Hg2—O5—C32—C31	52.6 (12)
C11—S1—C3—C4	−155.6 (9)	C33—O5—C32—Hg2	121.1 (11)
Hg1—S1—C3—C4	−53.0 (8)	S3—C31—C32—O5	−68.3 (11)
C11—S1—C3—Hg1	−102.5 (5)	S3—C31—C32—Hg2	−36.7 (6)
Cl1—Hg1—C3—C2	−163.3 (12)	Cl3—Hg2—C32—O5	67.7 (8)
Cl2—Hg1—C3—C2	23.4 (11)	Cl4—Hg2—C32—O5	−119.1 (8)
O2—Hg1—C3—C2	−61.6 (13)	O6—Hg2—C32—O5	−27.3 (8)
O3—Hg1—C3—C2	68.3 (14)	O7—Hg2—C32—O5	−19.9 (10)
O4—Hg1—C3—C2	111.4 (12)	O8—Hg2—C32—O5	175.8 (7)
O1—Hg1—C3—C2	−63.0 (12)	S3—Hg2—C32—O5	160.7 (9)
S1—Hg1—C3—C2	−102.8 (13)	Cl3—Hg2—C32—C31	−62.8 (7)
Cl1—Hg1—C3—C4	66.7 (7)	Cl4—Hg2—C32—C31	110.4 (7)
Cl2—Hg1—C3—C4	−106.7 (7)	O6—Hg2—C32—C31	−157.7 (7)
O2—Hg1—C3—C4	168.4 (6)	O7—Hg2—C32—C31	−150.3 (6)
O3—Hg1—C3—C4	−61.8 (9)	O8—Hg2—C32—C31	45.3 (11)
O4—Hg1—C3—C4	−18.7 (7)	O5—Hg2—C32—C31	−130.4 (12)
O1—Hg1—C3—C4	166.9 (7)	S3—Hg2—C32—C31	30.2 (6)
S1—Hg1—C3—C4	127.1 (9)	C32—O5—C33—C34	173.4 (10)
Cl1—Hg1—C3—S1	−60.5 (4)	Hg2—O5—C33—C34	−54.5 (10)
Cl2—Hg1—C3—S1	126.2 (4)	C32—O5—C33—Hg2	−132.0 (10)
O2—Hg1—C3—S1	41.2 (6)	Cl3—Hg2—C33—O5	−58.7 (7)
O3—Hg1—C3—S1	171.1 (4)	Cl4—Hg2—C33—O5	115.8 (7)
O4—Hg1—C3—S1	−145.8 (4)	O6—Hg2—C33—O5	−149.4 (9)
O1—Hg1—C3—S1	39.8 (4)	O7—Hg2—C33—O5	−148.1 (7)
C2—C3—C4—C5	1 (2)	O8—Hg2—C33—O5	165.8 (7)
S1—C3—C4—C5	−178.5 (11)	S3—Hg2—C33—O5	32.6 (7)
Hg1—C3—C4—C5	137.7 (14)	Cl3—Hg2—C33—C34	67.7 (7)
C2—C3—C4—Hg1	−136.3 (12)	Cl4—Hg2—C33—C34	−117.8 (7)
S1—C3—C4—Hg1	43.8 (6)	O6—Hg2—C33—C34	−23.0 (7)
Cl1—Hg1—C4—C5	106.1 (10)	O7—Hg2—C33—C34	−21.7 (8)
Cl2—Hg1—C4—C5	−71.3 (10)	O8—Hg2—C33—C34	−67.7 (13)
O2—Hg1—C4—C5	−160.9 (9)	O5—Hg2—C33—C34	126.4 (12)
O3—Hg1—C4—C5	3.4 (12)	S3—Hg2—C33—C34	159.0 (8)
O4—Hg1—C4—C5	22.9 (10)	C35—O6—C34—C33	175.7 (11)
O1—Hg1—C4—C5	−151.2 (10)	Hg2—O6—C34—C33	−50.1 (12)
S1—Hg1—C4—C5	−169.9 (12)	C35—O6—C34—Hg2	−134.2 (12)
Cl1—Hg1—C4—C3	−115.6 (7)	O5—C33—C34—O6	75.5 (13)
Cl2—Hg1—C4—C3	67.0 (6)	Hg2—C33—C34—O6	30.3 (8)
O2—Hg1—C4—C3	−22.6 (12)	O5—C33—C34—Hg2	45.2 (9)
O3—Hg1—C4—C3	141.6 (6)	Cl3—Hg2—C34—O6	113.8 (8)
O4—Hg1—C4—C3	161.2 (7)	Cl4—Hg2—C34—O6	−69.7 (8)
O1—Hg1—C4—C3	−13.0 (7)	O7—Hg2—C34—O6	25.7 (8)
S1—Hg1—C4—C3	−31.6 (6)	O8—Hg2—C34—O6	17.3 (11)
C3—C4—C5—C6	5 (2)	O5—Hg2—C34—O6	−161.0 (10)
Hg1—C4—C5—C6	126.3 (11)	S3—Hg2—C34—O6	−154.0 (8)
C3—C4—C5—S2	−177.1 (9)	Cl3—Hg2—C34—C33	−112.9 (7)
Hg1—C4—C5—S2	−55.7 (14)	Cl4—Hg2—C34—C33	63.6 (7)
C20—S2—C5—C4	26.9 (12)	O6—Hg2—C34—C33	133.3 (13)
Hg1—S2—C5—C4	31.4 (9)	O7—Hg2—C34—C33	159.1 (8)
C20—S2—C5—C6	−154.9 (8)	O8—Hg2—C34—C33	150.6 (7)
Hg1—S2—C5—C6	−150.4 (9)	O5—Hg2—C34—C33	−27.7 (6)
C4—C5—C6—C7	−7 (2)	S3—Hg2—C34—C33	−20.6 (8)
S2—C5—C6—C7	174.5 (11)	C34—O6—C35—C36	−174.3 (11)
C5—C6—C7—C1	1 (2)	Hg2—O6—C35—C36	48.6 (13)
C8—C1—C7—C6	−176.9 (12)	C34—O6—C35—Hg2	137.0 (11)
C2—C1—C7—C6	4.6 (19)	Cl3—Hg2—C35—O6	−112.8 (8)
C2—C1—C8—C10	−1.8 (18)	Cl4—Hg2—C35—O6	68.2 (8)
C7—C1—C8—C10	179.6 (12)	O7—Hg2—C35—O6	156.5 (10)
C2—C1—C8—C9	179.3 (11)	O8—Hg2—C35—O6	151.6 (7)
C7—C1—C8—C9	0.7 (17)	O5—Hg2—C35—O6	−27.9 (8)
C1—C8—C9—N1	−130 (31)	S3—Hg2—C35—O6	−23.0 (10)
C10—C8—C9—N1	51 (31)	Cl3—Hg2—C35—C36	113.9 (8)
C1—C8—C10—N2	−155 (48)	Cl4—Hg2—C35—C36	−65.1 (8)
C9—C8—C10—N2	24 (49)	O6—Hg2—C35—C36	−133.3 (13)
C3—S1—C11—C12	160.8 (9)	O7—Hg2—C35—C36	23.2 (7)
Hg1—S1—C11—C12	60.0 (10)	O8—Hg2—C35—C36	18.3 (9)
C3—S1—C11—Hg1	100.8 (4)	O5—Hg2—C35—C36	−161.3 (8)
Cl1—Hg1—C11—C12	−71.6 (8)	S3—Hg2—C35—C36	−156.3 (6)
Cl2—Hg1—C11—C12	120.2 (8)	C37—O7—C36—C35	177.4 (10)
O2—Hg1—C11—C12	19.3 (8)	Hg2—O7—C36—C35	47.6 (12)
O3—Hg1—C11—C12	63.7 (10)	C37—O7—C36—Hg2	129.8 (11)
O4—Hg1—C11—C12	−170.0 (7)	O6—C35—C36—O7	−65.9 (15)
O1—Hg1—C11—C12	18.8 (7)	Hg2—C35—C36—O7	−33.2 (8)
S1—Hg1—C11—C12	−122.0 (11)	O6—C35—C36—Hg2	−32.6 (9)
Cl1—Hg1—C11—S1	50.4 (5)	Cl3—Hg2—C36—O7	67.6 (8)
Cl2—Hg1—C11—S1	−117.8 (5)	Cl4—Hg2—C36—O7	−108.7 (8)
O2—Hg1—C11—S1	141.4 (4)	O6—Hg2—C36—O7	158.2 (10)
O3—Hg1—C11—S1	−174.3 (4)	O8—Hg2—C36—O7	−27.9 (8)
O4—Hg1—C11—S1	−47.9 (7)	O5—Hg2—C36—O7	153.5 (7)
O1—Hg1—C11—S1	140.9 (8)	S3—Hg2—C36—O7	−176.0 (5)
C13—O1—C12—C11	176.2 (11)	Cl3—Hg2—C36—C35	−66.7 (8)
Hg1—O1—C12—C11	43.4 (14)	Cl4—Hg2—C36—C35	116.9 (8)
C13—O1—C12—Hg1	132.8 (14)	O6—Hg2—C36—C35	23.8 (7)
S1—C11—C12—O1	−71.0 (13)	O7—Hg2—C36—C35	−134.4 (13)
Hg1—C11—C12—O1	−25.4 (8)	O8—Hg2—C36—C35	−162.3 (8)
S1—C11—C12—Hg1	−45.6 (7)	O5—Hg2—C36—C35	19.1 (9)
Cl1—Hg1—C12—O1	−108.9 (9)	S3—Hg2—C36—C35	49.7 (12)
Cl2—Hg1—C12—O1	82.7 (9)	C36—O7—C37—C38	176.9 (11)
O2—Hg1—C12—O1	−21.6 (9)	Hg2—O7—C37—C38	−54.8 (12)
O3—Hg1—C12—O1	−1.1 (11)	C36—O7—C37—Hg2	−128.3 (11)
O4—Hg1—C12—O1	159.8 (8)	Cl3—Hg2—C37—O7	−63.0 (8)
S1—Hg1—C12—O1	172.8 (11)	Cl4—Hg2—C37—O7	123.5 (8)
Cl1—Hg1—C12—C11	112.5 (8)	O6—Hg2—C37—O7	31.2 (8)
Cl2—Hg1—C12—C11	−56.0 (8)	O8—Hg2—C37—O7	−153.8 (10)
O2—Hg1—C12—C11	−160.3 (8)	O5—Hg2—C37—O7	28.5 (10)
O3—Hg1—C12—C11	−139.8 (7)	S3—Hg2—C37—O7	−178.1 (5)
O4—Hg1—C12—C11	21.1 (14)	Cl3—Hg2—C37—C38	65.1 (8)
O1—Hg1—C12—C11	−138.7 (14)	Cl4—Hg2—C37—C38	−108.4 (8)
S1—Hg1—C12—C11	34.1 (7)	O6—Hg2—C37—C38	159.3 (8)
C12—O1—C13—C14	166.6 (11)	O7—Hg2—C37—C38	128.1 (12)
Hg1—O1—C13—C14	−52.2 (12)	O8—Hg2—C37—C38	−25.7 (7)
C12—O1—C13—Hg1	−141.2 (11)	O5—Hg2—C37—C38	156.5 (7)
Cl1—Hg1—C13—O1	121.1 (8)	S3—Hg2—C37—C38	−50.0 (11)
Cl2—Hg1—C13—O1	−50.2 (8)	C39—O8—C38—C37	−170.9 (11)
O2—Hg1—C13—O1	−151.7 (11)	Hg2—O8—C38—C37	−51.0 (11)
O3—Hg1—C13—O1	−141.5 (8)	C39—O8—C38—Hg2	−120.0 (11)
O4—Hg1—C13—O1	−166.0 (7)	O7—C37—C38—O8	73.8 (13)
S1—Hg1—C13—O1	33.9 (8)	Hg2—C37—C38—O8	38.9 (9)
Cl1—Hg1—C13—C14	−109.4 (8)	O7—C37—C38—Hg2	34.9 (8)
Cl2—Hg1—C13—C14	79.3 (8)	Cl3—Hg2—C38—O8	113.5 (8)
O2—Hg1—C13—C14	−22.2 (7)	Cl4—Hg2—C38—O8	−59.7 (8)
O3—Hg1—C13—C14	−12.0 (9)	O6—Hg2—C38—O8	−151.9 (7)
O4—Hg1—C13—C14	−36.4 (15)	O7—Hg2—C38—O8	−157.1 (10)
O1—Hg1—C13—C14	129.5 (13)	O5—Hg2—C38—O8	172.9 (8)
S1—Hg1—C13—C14	163.4 (9)	S3—Hg2—C38—O8	22.2 (10)
C15—O2—C14—C13	172.8 (11)	Cl3—Hg2—C38—C37	−116.0 (8)
Hg1—O2—C14—C13	−47.3 (13)	Cl4—Hg2—C38—C37	70.8 (8)
C15—O2—C14—Hg1	−139.8 (11)	O6—Hg2—C38—C37	−21.4 (8)
O1—C13—C14—O2	69.0 (15)	O7—Hg2—C38—C37	−26.6 (7)
Hg1—C13—C14—O2	29.5 (8)	O8—Hg2—C38—C37	130.5 (12)
O1—C13—C14—Hg1	39.5 (10)	O5—Hg2—C38—C37	−56.6 (14)
Cl1—Hg1—C14—O2	−63.0 (8)	S3—Hg2—C38—C37	152.7 (6)
Cl2—Hg1—C14—O2	122.0 (8)	C38—O8—C39—C40	−148.7 (11)
O3—Hg1—C14—O2	32.5 (8)	Hg2—O8—C39—C40	92.6 (10)
O4—Hg1—C14—O2	27.7 (11)	C38—O8—C39—Hg2	118.7 (11)
O1—Hg1—C14—O2	−161.5 (11)	Cl3—Hg2—C39—O8	−123.6 (7)
S1—Hg1—C14—O2	−151.9 (8)	Cl4—Hg2—C39—O8	61.4 (7)
Cl1—Hg1—C14—C13	72.6 (8)	O6—Hg2—C39—O8	−32.8 (10)
Cl2—Hg1—C14—C13	−102.5 (8)	O7—Hg2—C39—O8	−34.9 (7)
O2—Hg1—C14—C13	135.6 (14)	O5—Hg2—C39—O8	170.5 (6)
O3—Hg1—C14—C13	168.1 (9)	S3—Hg2—C39—O8	144.5 (7)
O4—Hg1—C14—C13	163.2 (7)	Cl3—Hg2—C39—C40	134.3 (8)
O1—Hg1—C14—C13	−25.9 (7)	Cl4—Hg2—C39—C40	−40.7 (8)
S1—Hg1—C14—C13	−16.3 (8)	O6—Hg2—C39—C40	−134.9 (7)
C14—O2—C15—C16	176.4 (10)	O7—Hg2—C39—C40	−137.0 (9)
Hg1—O2—C15—C16	36.1 (12)	O8—Hg2—C39—C40	−102.1 (12)
C14—O2—C15—Hg1	140.2 (11)	O5—Hg2—C39—C40	68.4 (11)
Cl1—Hg1—C15—O2	76.6 (7)	S3—Hg2—C39—C40	42.4 (8)
Cl2—Hg1—C15—O2	−106.1 (7)	O8—C39—C40—S4	−163.7 (8)
O3—Hg1—C15—O2	172.7 (10)	Hg2—C39—C40—S4	−112.2 (7)
O4—Hg1—C15—O2	161.0 (7)	C25—S4—C40—C39	75.3 (10)
O1—Hg1—C15—O2	−25.0 (7)	Hg2—S4—C40—C39	62.7 (8)
S1—Hg1—C15—O2	−14.1 (9)