Bis(tetra-n-propyl­ammonium) bis­(2-thioxo-1,3-dithiole-4,5-dithiol­ato)mercurate(II)

In the title compound, [(C₃H₇)₄N]₂[Hg(C₃S₅)₂], each Hg atom is tetra­coordinated by four S atoms in a distorted tetra­hedral environment with Hg-S distances of 2.5217 (6)-2.5411 (8) Å. The crystal structure is mainly stabilized by van der Waals forces.

Key indicators

• Single-crystal X-ray study
• T = 296 K
• Mean [sigma](C-C) = 0.004 Å
• R factor = 0.031
• wR factor = 0.070
• Data-to-parameter ratio = 35.2

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.94
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT230_ALERT_2_C Hirshfeld Test Diff for    N2     -   C9      ..       5.05 su
PLAT230_ALERT_2_C Hirshfeld Test Diff for    N2     -   C12     ..       5.47 su
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C16    -   C17     ..       5.04 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Hg1    -   S4      ..       8.44 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Hg1    -   S5      ..       9.52 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Hg1    -   S6      ..       7.92 su
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Hg1    -   S7      ..       9.81 su
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         S6
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         N2
PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of .      44.00 A   3 

Alert level G
ABSTM02_ALERT_3_G  When printed, the submitted absorption T values will be
            replaced by the scaled T values. Since the ratio of scaled T's
            is identical to the ratio of reported T values, the scaling
            does not imply a change to the absorption corrections used in
            the study.
            Ratio of Tmax expected/reported      0.945
            Tmax scaled      0.568 Tmin scaled      0.466

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  12 ALERT level C = Check and explain
   1 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  10 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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Computing details

Data collection: SMART (Bruker, 1998); cell refinement: SMART; data reduction: SAINT (Bruker, 1998); program(s) used to solve structure: SHELXTL (Bruker, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

(I)

Crystal data

2(C12H28N)[Hg(C3S5)2]	Z = 2
Mr = 965.96	F(000) = 980
Triclinic, P1	Dx = 1.476 Mg m^−3
a = 8.2566 (3) Å	Mo Kα radiation, λ = 0.71073 Å
b = 12.5783 (4) Å	Cell parameters from 6555 reflections
c = 21.3073 (6) Å	θ = 3.1–28.0°
α = 83.034 (1)°	µ = 4.04 mm^−1
β = 82.918 (1)°	T = 296 K
γ = 84.628 (1)°	Prism, brown
V = 2172.79 (12) Å^3	0.22 × 0.15 × 0.14 mm

Data collection

Bruker APEX2 diffractometer	13700 independent reflections
Radiation source: fine-focus sealed tube	8094 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.038
φ and ω scans	θmax = 32.7°, θmin = 1.6°
Absorption correction: multi-scan (SADABS; Bruker, 1998)	h = −12→12
Tmin = 0.493, Tmax = 0.601	k = −15→18
23094 measured reflections	l = −29→31

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)] = 0.031	H-atom parameters constrained
wR(F^2) = 0.070	w = 1/[σ^2(Fo^2) + (0.030P)^2] where P = (Fo^2 + 2Fc^2)/3
S = 0.84	(Δ/σ)max = 0.002
13700 reflections	Δρmax = 0.82 e Å^−3
389 parameters	Δρmin = −0.67 e Å^−3
1 restraint	Extinction correction: SHELXL97, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.00472 (15)

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. All H atoms placed in geometrically calculated positions and refined using a riding model with C—H = 0.96%A (for CH₂ groups) and 0.97%A (for CH₃ groups), their isotropic displacement parameters were set to 1.2 times (1.5times for CH₃ groups) the equivalent displacement parameter of their parent atoms.

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

	x	y	z	Uiso*/Ueq
C1	0.2474 (4)	0.8161 (2)	0.39381 (13)	0.0586 (7)
C2	0.2409 (3)	0.64996 (19)	0.32948 (12)	0.0464 (6)
C3	0.3987 (3)	0.6493 (2)	0.34168 (12)	0.0487 (6)
C4	0.6000 (3)	0.3212 (2)	0.14288 (12)	0.0519 (6)
C5	0.5682 (3)	0.24400 (19)	0.19170 (12)	0.0439 (5)
C6	0.7607 (3)	0.1452 (2)	0.10441 (13)	0.0552 (7)
C7	0.9965 (4)	0.3453 (3)	0.19554 (15)	0.0821 (10)
H7A	0.9269	0.3811	0.1653	0.123*
H7B	1.0302	0.2739	0.1850	0.123*
H7C	1.0913	0.3845	0.1945	0.123*
C8	0.9048 (4)	0.3396 (3)	0.26083 (14)	0.0747 (9)
H8A	0.8693	0.4118	0.2711	0.090*
H8B	0.8079	0.3012	0.2615	0.090*
C9	1.0075 (3)	0.2846 (2)	0.30943 (14)	0.0616 (7)
H9A	1.1012	0.3259	0.3089	0.074*
H9B	1.0488	0.2151	0.2963	0.074*
C10	0.6795 (5)	0.0210 (3)	0.3733 (2)	0.0979 (12)
H10A	0.7060	−0.0459	0.3555	0.147*
H10B	0.5841	0.0574	0.3564	0.147*
H10C	0.6581	0.0075	0.4187	0.147*
C11	0.8213 (4)	0.0903 (3)	0.35623 (19)	0.0841 (10)
H11A	0.9182	0.0528	0.3725	0.101*
H11B	0.8437	0.1032	0.3103	0.101*
C12	0.7856 (3)	0.1958 (2)	0.38323 (16)	0.0658 (8)
H12A	0.7446	0.1814	0.4278	0.079*
H12B	0.6983	0.2363	0.3619	0.079*
C13	1.3072 (5)	0.2161 (3)	0.4719 (2)	0.1038 (13)
H13A	1.3945	0.2600	0.4748	0.156*
H13B	1.3520	0.1496	0.4566	0.156*
H13C	1.2474	0.2018	0.5132	0.156*
C14	1.1950 (4)	0.2737 (3)	0.42687 (18)	0.0809 (9)
H14A	1.1514	0.3411	0.4424	0.097*
H14B	1.2575	0.2903	0.3858	0.097*
C15	1.0568 (3)	0.2118 (3)	0.41835 (16)	0.0682 (8)
H15A	1.0025	0.1892	0.4602	0.082*
H15B	1.1020	0.1473	0.3997	0.082*
C16	0.7488 (5)	0.4875 (3)	0.48468 (17)	0.0873 (10)
H16A	0.7067	0.4842	0.5289	0.131*
H16B	0.6659	0.5207	0.4592	0.131*
H16C	0.8426	0.5289	0.4770	0.131*
C17	0.7976 (4)	0.3761 (3)	0.46741 (16)	0.0843 (10)
H17A	0.8799	0.3423	0.4938	0.101*
H17B	0.7030	0.3341	0.4761	0.101*
C18	0.8633 (3)	0.3756 (2)	0.40000 (15)	0.0631 (7)
H18A	0.9513	0.4231	0.3912	0.076*
H18B	0.7775	0.4058	0.3743	0.076*
C19	0.0831 (4)	0.6455 (3)	0.08921 (19)	0.0920 (11)
H19A	−0.0117	0.6648	0.0671	0.138*
H19B	0.0499	0.6142	0.1317	0.138*
H19C	0.1553	0.5943	0.0672	0.138*
C20	0.1709 (3)	0.7446 (2)	0.09183 (14)	0.0629 (7)
H20A	0.2029	0.7770	0.0490	0.076*
H20B	0.0980	0.7966	0.1138	0.076*
C21	0.3201 (3)	0.7156 (2)	0.12600 (13)	0.0515 (6)
H21A	0.3791	0.6532	0.1089	0.062*
H21B	0.2838	0.6943	0.1704	0.062*
C22	0.5230 (3)	0.8251 (2)	0.05532 (13)	0.0608 (7)
H22A	0.4398	0.8555	0.0284	0.073*
H22B	0.5981	0.8799	0.0556	0.073*
C23	0.6161 (4)	0.7322 (3)	0.02526 (16)	0.0808 (10)
H23A	0.5415	0.6796	0.0200	0.097*
H23B	0.6962	0.6977	0.0525	0.097*
C24	0.7029 (5)	0.7738 (4)	−0.03981 (18)	0.1199 (16)
H24A	0.7627	0.7148	−0.0592	0.180*
H24B	0.7772	0.8253	−0.0342	0.180*
H24C	0.6230	0.8073	−0.0666	0.180*
C25	0.3535 (3)	0.9051 (2)	0.14205 (14)	0.0574 (7)
H25A	0.4330	0.9586	0.1361	0.069*
H25B	0.2718	0.9289	0.1133	0.069*
C26	0.2708 (4)	0.9020 (3)	0.20921 (15)	0.0732 (9)
H26A	0.3524	0.8857	0.2388	0.088*
H26B	0.1959	0.8456	0.2170	0.088*
C27	0.1774 (5)	1.0087 (3)	0.2203 (2)	0.1133 (15)
H27A	0.1249	1.0050	0.2632	0.170*
H27B	0.0962	1.0246	0.1912	0.170*
H27C	0.2520	1.0642	0.2135	0.170*
C28	0.5635 (3)	0.7551 (2)	0.16886 (13)	0.0531 (6)
H28A	0.5054	0.7411	0.2111	0.064*
H28B	0.6122	0.6868	0.1560	0.064*
C29	0.6996 (4)	0.8256 (3)	0.17292 (18)	0.0795 (10)
H29A	0.7695	0.8307	0.1328	0.095*
H29B	0.6526	0.8974	0.1799	0.095*
C30	0.8014 (4)	0.7829 (3)	0.22551 (18)	0.0923 (12)
H30A	0.8860	0.8299	0.2264	0.138*
H30B	0.8500	0.7124	0.2183	0.138*
H30C	0.7332	0.7791	0.2655	0.138*
Hg1	0.416399 (13)	0.456973 (8)	0.253069 (5)	0.06083 (6)
N1	0.4394 (2)	0.80070 (16)	0.12317 (10)	0.0480 (5)
N2	0.9282 (2)	0.26673 (16)	0.37824 (10)	0.0451 (5)
S1	0.20166 (13)	0.92316 (7)	0.43286 (4)	0.0834 (3)
S2	0.10824 (8)	0.75332 (6)	0.36058 (3)	0.05745 (17)
S3	0.44100 (9)	0.75300 (6)	0.38305 (4)	0.06191 (18)
S4	0.15377 (8)	0.56428 (6)	0.28744 (4)	0.05524 (17)
S5	0.56394 (8)	0.56043 (6)	0.32023 (4)	0.0659 (2)
S6	0.53436 (13)	0.45646 (6)	0.13716 (4)	0.0857 (3)
S7	0.45212 (8)	0.25449 (5)	0.26492 (3)	0.05288 (16)
S8	0.72886 (10)	0.27911 (6)	0.07775 (3)	0.06162 (19)
S9	0.66313 (9)	0.11679 (5)	0.18001 (4)	0.05698 (17)
S10	0.87124 (12)	0.05566 (7)	0.06236 (4)	0.0817 (3)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
C1	0.0835 (19)	0.0444 (15)	0.0447 (15)	0.0031 (13)	−0.0002 (13)	−0.0056 (12)
C2	0.0542 (14)	0.0412 (13)	0.0407 (14)	0.0032 (10)	0.0013 (11)	−0.0045 (11)
C3	0.0549 (14)	0.0438 (14)	0.0465 (15)	0.0047 (11)	−0.0071 (11)	−0.0061 (11)
C4	0.0637 (15)	0.0449 (15)	0.0464 (15)	0.0051 (11)	−0.0057 (12)	−0.0102 (12)
C5	0.0422 (12)	0.0415 (13)	0.0497 (15)	0.0003 (10)	−0.0072 (11)	−0.0127 (11)
C6	0.0635 (16)	0.0485 (15)	0.0537 (16)	0.0009 (12)	−0.0007 (13)	−0.0165 (12)
C7	0.082 (2)	0.112 (3)	0.055 (2)	−0.021 (2)	−0.0107 (17)	−0.0048 (19)
C8	0.0625 (17)	0.103 (3)	0.062 (2)	−0.0194 (17)	−0.0102 (15)	−0.0098 (18)
C9	0.0550 (15)	0.0650 (18)	0.0643 (19)	−0.0074 (13)	0.0016 (14)	−0.0111 (15)
C10	0.102 (3)	0.070 (2)	0.127 (3)	−0.034 (2)	−0.023 (2)	0.000 (2)
C11	0.090 (2)	0.068 (2)	0.099 (3)	−0.0145 (18)	−0.017 (2)	−0.014 (2)
C12	0.0583 (16)	0.067 (2)	0.071 (2)	−0.0110 (14)	−0.0011 (14)	−0.0057 (16)
C13	0.090 (2)	0.108 (3)	0.123 (3)	0.017 (2)	−0.058 (2)	−0.026 (3)
C14	0.0675 (19)	0.094 (3)	0.088 (2)	−0.0005 (17)	−0.0228 (18)	−0.028 (2)
C15	0.0600 (16)	0.0697 (19)	0.077 (2)	0.0136 (14)	−0.0194 (15)	−0.0178 (16)
C16	0.106 (3)	0.081 (2)	0.075 (2)	0.0112 (19)	−0.0016 (19)	−0.0338 (19)
C17	0.091 (2)	0.088 (3)	0.070 (2)	0.0085 (19)	0.0003 (18)	−0.0169 (19)
C18	0.0605 (16)	0.0593 (18)	0.069 (2)	0.0094 (13)	−0.0079 (14)	−0.0142 (15)
C19	0.076 (2)	0.107 (3)	0.101 (3)	−0.025 (2)	−0.013 (2)	−0.024 (2)
C20	0.0585 (16)	0.072 (2)	0.0579 (18)	−0.0020 (14)	−0.0035 (13)	−0.0108 (15)
C21	0.0537 (14)	0.0438 (14)	0.0550 (16)	−0.0034 (11)	−0.0001 (12)	−0.0044 (12)
C22	0.0595 (16)	0.0691 (19)	0.0483 (16)	−0.0080 (13)	0.0031 (13)	0.0080 (14)
C23	0.0699 (19)	0.105 (3)	0.064 (2)	0.0052 (18)	0.0027 (16)	−0.0145 (19)
C24	0.097 (3)	0.186 (5)	0.075 (3)	−0.024 (3)	0.029 (2)	−0.033 (3)
C25	0.0596 (15)	0.0436 (15)	0.0663 (19)	0.0017 (12)	−0.0055 (13)	−0.0008 (13)
C26	0.0757 (19)	0.071 (2)	0.070 (2)	0.0092 (16)	0.0020 (16)	−0.0201 (16)
C27	0.104 (3)	0.089 (3)	0.143 (4)	0.023 (2)	0.012 (3)	−0.048 (3)
C28	0.0527 (14)	0.0462 (15)	0.0587 (17)	0.0028 (11)	−0.0099 (12)	0.0001 (12)
C29	0.0701 (19)	0.064 (2)	0.106 (3)	−0.0105 (15)	−0.0230 (19)	0.0004 (19)
C30	0.068 (2)	0.128 (3)	0.086 (3)	−0.024 (2)	−0.0167 (19)	−0.011 (2)
Hg1	0.06902 (8)	0.04747 (7)	0.06427 (9)	0.00586 (5)	0.00204 (5)	−0.01712 (5)
N1	0.0503 (11)	0.0421 (11)	0.0484 (12)	−0.0008 (9)	−0.0006 (9)	0.0010 (9)
N2	0.0375 (9)	0.0455 (12)	0.0513 (12)	−0.0001 (8)	−0.0021 (9)	−0.0063 (9)
S1	0.1258 (7)	0.0530 (5)	0.0703 (5)	0.0094 (4)	−0.0018 (5)	−0.0239 (4)
S2	0.0607 (4)	0.0539 (4)	0.0541 (4)	0.0115 (3)	0.0013 (3)	−0.0116 (3)
S3	0.0711 (4)	0.0583 (4)	0.0600 (4)	−0.0010 (3)	−0.0134 (4)	−0.0187 (3)
S4	0.0484 (3)	0.0529 (4)	0.0657 (4)	−0.0003 (3)	−0.0049 (3)	−0.0159 (3)
S5	0.0545 (4)	0.0639 (5)	0.0818 (5)	0.0162 (3)	−0.0193 (4)	−0.0222 (4)
S6	0.1397 (8)	0.0475 (4)	0.0566 (5)	0.0264 (5)	0.0115 (5)	−0.0006 (4)
S7	0.0539 (3)	0.0439 (3)	0.0571 (4)	−0.0010 (3)	0.0081 (3)	−0.0078 (3)
S8	0.0859 (5)	0.0512 (4)	0.0451 (4)	0.0037 (3)	0.0024 (3)	−0.0117 (3)
S9	0.0686 (4)	0.0394 (3)	0.0600 (4)	0.0015 (3)	0.0060 (3)	−0.0116 (3)
S10	0.1072 (6)	0.0576 (5)	0.0715 (5)	0.0121 (4)	0.0232 (5)	−0.0201 (4)

Geometric parameters (Å, º)

C1—S1	1.658 (3)	C17—C18	1.472 (4)
C1—S2	1.718 (3)	C17—H17A	0.9700
C1—S3	1.719 (3)	C17—H17B	0.9700
C2—C3	1.358 (4)	C18—N2	1.528 (3)
C2—S4	1.738 (3)	C18—H18A	0.9700
C2—S2	1.759 (2)	C18—H18B	0.9700
C3—S5	1.733 (2)	C19—C20	1.510 (4)
C3—S3	1.744 (3)	C19—H19A	0.9600
C4—C5	1.353 (4)	C19—H19B	0.9600
C4—S6	1.731 (3)	C19—H19C	0.9600
C4—S8	1.745 (3)	C20—C21	1.501 (4)
C5—S7	1.740 (3)	C20—H20A	0.9700
C5—S9	1.747 (2)	C20—H20B	0.9700
C6—S10	1.659 (3)	C21—N1	1.512 (3)
C6—S8	1.718 (3)	C21—H21A	0.9700
C6—S9	1.722 (3)	C21—H21B	0.9700
C7—C8	1.497 (4)	C22—C23	1.503 (4)
C7—H7A	0.9600	C22—N1	1.532 (3)
C7—H7B	0.9600	C22—H22A	0.9700
C7—H7C	0.9600	C22—H22B	0.9700
C8—C9	1.484 (4)	C23—C24	1.536 (5)
C8—H8A	0.9700	C23—H23A	0.9700
C8—H8B	0.9700	C23—H23B	0.9700
C9—N2	1.530 (3)	C24—H24A	0.9600
C9—H9A	0.9700	C24—H24B	0.9600
C9—H9B	0.9700	C24—H24C	0.9600
C10—C11	1.507 (4)	C25—C26	1.505 (4)
C10—H10A	0.9600	C25—N1	1.507 (3)
C10—H10B	0.9600	C25—H25A	0.9700
C10—H10C	0.9600	C25—H25B	0.9700
C11—C12	1.499 (5)	C26—C27	1.513 (4)
C11—H11A	0.9700	C26—H26A	0.9700
C11—H11B	0.9700	C26—H26B	0.9700
C12—N2	1.529 (3)	C27—H27A	0.9600
C12—H12A	0.9700	C27—H27B	0.9600
C12—H12B	0.9700	C27—H27C	0.9600
C13—C14	1.492 (5)	C28—C29	1.512 (4)
C13—H13A	0.9600	C28—N1	1.525 (3)
C13—H13B	0.9600	C28—H28A	0.9700
C13—H13C	0.9600	C28—H28B	0.9700
C14—C15	1.480 (4)	C29—C30	1.500 (4)
C14—H14A	0.9700	C29—H29A	0.9700
C14—H14B	0.9700	C29—H29B	0.9700
C15—N2	1.509 (3)	C30—H30A	0.9600
C15—H15A	0.9700	C30—H30B	0.9600
C15—H15B	0.9700	C30—H30C	0.9600
C16—C17	1.498 (5)	Hg1—S7	2.5217 (7)
C16—H16A	0.9600	Hg1—S4	2.5220 (6)
C16—H16B	0.9600	Hg1—S5	2.5305 (8)
C16—H16C	0.9600	Hg1—S6	2.5411 (8)
S1—C1—S2	124.57 (17)	H19A—C19—H19C	109.5
S1—C1—S3	123.59 (19)	H19B—C19—H19C	109.5
S2—C1—S3	111.82 (15)	C21—C20—C19	110.1 (3)
C3—C2—S4	129.19 (19)	C21—C20—H20A	109.6
C3—C2—S2	114.6 (2)	C19—C20—H20A	109.6
S4—C2—S2	116.19 (14)	C21—C20—H20B	109.6
C2—C3—S5	128.5 (2)	C19—C20—H20B	109.6
C2—C3—S3	115.63 (19)	H20A—C20—H20B	108.2
S5—C3—S3	115.82 (15)	C20—C21—N1	117.4 (2)
C5—C4—S6	128.7 (2)	C20—C21—H21A	107.9
C5—C4—S8	115.45 (19)	N1—C21—H21A	107.9
S6—C4—S8	115.78 (15)	C20—C21—H21B	107.9
C4—C5—S7	129.28 (19)	N1—C21—H21B	107.9
C4—C5—S9	114.85 (18)	H21A—C21—H21B	107.2
S7—C5—S9	115.84 (14)	C23—C22—N1	116.7 (2)
S10—C6—S8	124.06 (17)	C23—C22—H22A	108.1
S10—C6—S9	124.84 (16)	N1—C22—H22A	108.1
S8—C6—S9	111.10 (15)	C23—C22—H22B	108.1
C8—C7—H7A	109.5	N1—C22—H22B	108.1
C8—C7—H7B	109.5	H22A—C22—H22B	107.3
H7A—C7—H7B	109.5	C22—C23—C24	109.1 (3)
C8—C7—H7C	109.5	C22—C23—H23A	109.9
H7A—C7—H7C	109.5	C24—C23—H23A	109.9
H7B—C7—H7C	109.5	C22—C23—H23B	109.9
C9—C8—C7	111.5 (3)	C24—C23—H23B	109.9
C9—C8—H8A	109.3	H23A—C23—H23B	108.3
C7—C8—H8A	109.3	C23—C24—H24A	109.5
C9—C8—H8B	109.3	C23—C24—H24B	109.5
C7—C8—H8B	109.3	H24A—C24—H24B	109.5
H8A—C8—H8B	108.0	C23—C24—H24C	109.5
C8—C9—N2	117.9 (2)	H24A—C24—H24C	109.5
C8—C9—H9A	107.8	H24B—C24—H24C	109.5
N2—C9—H9A	107.8	C26—C25—N1	116.0 (2)
C8—C9—H9B	107.8	C26—C25—H25A	108.3
N2—C9—H9B	107.8	N1—C25—H25A	108.3
H9A—C9—H9B	107.2	C26—C25—H25B	108.3
C11—C10—H10A	109.5	N1—C25—H25B	108.3
C11—C10—H10B	109.5	H25A—C25—H25B	107.4
H10A—C10—H10B	109.5	C25—C26—C27	110.7 (3)
C11—C10—H10C	109.5	C25—C26—H26A	109.5
H10A—C10—H10C	109.5	C27—C26—H26A	109.5
H10B—C10—H10C	109.5	C25—C26—H26B	109.5
C12—C11—C10	111.3 (3)	C27—C26—H26B	109.5
C12—C11—H11A	109.4	H26A—C26—H26B	108.1
C10—C11—H11A	109.4	C26—C27—H27A	109.5
C12—C11—H11B	109.4	C26—C27—H27B	109.5
C10—C11—H11B	109.4	H27A—C27—H27B	109.5
H11A—C11—H11B	108.0	C26—C27—H27C	109.5
C11—C12—N2	116.7 (2)	H27A—C27—H27C	109.5
C11—C12—H12A	108.1	H27B—C27—H27C	109.5
N2—C12—H12A	108.1	C29—C28—N1	115.6 (2)
C11—C12—H12B	108.1	C29—C28—H28A	108.4
N2—C12—H12B	108.1	N1—C28—H28A	108.4
H12A—C12—H12B	107.3	C29—C28—H28B	108.4
C14—C13—H13A	109.5	N1—C28—H28B	108.4
C14—C13—H13B	109.5	H28A—C28—H28B	107.4
H13A—C13—H13B	109.5	C30—C29—C28	112.2 (3)
C14—C13—H13C	109.5	C30—C29—H29A	109.2
H13A—C13—H13C	109.5	C28—C29—H29A	109.2
H13B—C13—H13C	109.5	C30—C29—H29B	109.2
C15—C14—C13	113.7 (3)	C28—C29—H29B	109.2
C15—C14—H14A	108.8	H29A—C29—H29B	107.9
C13—C14—H14A	108.8	C29—C30—H30A	109.5
C15—C14—H14B	108.8	C29—C30—H30B	109.5
C13—C14—H14B	108.8	H30A—C30—H30B	109.5
H14A—C14—H14B	107.7	C29—C30—H30C	109.5
C14—C15—N2	117.8 (3)	H30A—C30—H30C	109.5
C14—C15—H15A	107.9	H30B—C30—H30C	109.5
N2—C15—H15A	107.9	S7—Hg1—S4	124.08 (2)
C14—C15—H15B	107.9	S7—Hg1—S5	119.69 (2)
N2—C15—H15B	107.9	S4—Hg1—S5	88.83 (2)
H15A—C15—H15B	107.2	S7—Hg1—S6	88.65 (2)
C17—C16—H16A	109.5	S4—Hg1—S6	122.69 (3)
C17—C16—H16B	109.5	S5—Hg1—S6	116.09 (3)
H16A—C16—H16B	109.5	C25—N1—C21	111.33 (19)
C17—C16—H16C	109.5	C25—N1—C28	111.2 (2)
H16A—C16—H16C	109.5	C21—N1—C28	105.81 (18)
H16B—C16—H16C	109.5	C25—N1—C22	106.57 (19)
C18—C17—C16	112.2 (3)	C21—N1—C22	110.8 (2)
C18—C17—H17A	109.2	C28—N1—C22	111.24 (19)
C16—C17—H17A	109.2	C15—N2—C18	111.4 (2)
C18—C17—H17B	109.2	C15—N2—C12	109.4 (2)
C16—C17—H17B	109.2	C18—N2—C12	108.87 (19)
H17A—C17—H17B	107.9	C15—N2—C9	107.9 (2)
C17—C18—N2	116.6 (3)	C18—N2—C9	108.6 (2)
C17—C18—H18A	108.1	C12—N2—C9	110.6 (2)
N2—C18—H18A	108.1	C1—S2—C2	98.93 (13)
C17—C18—H18B	108.1	C1—S3—C3	98.96 (13)
N2—C18—H18B	108.1	C2—S4—Hg1	96.42 (8)
H18A—C18—H18B	107.3	C3—S5—Hg1	96.55 (9)
C20—C19—H19A	109.5	C4—S6—Hg1	95.76 (9)
C20—C19—H19B	109.5	C5—S7—Hg1	95.80 (8)
H19A—C19—H19B	109.5	C6—S8—C4	99.20 (13)
C20—C19—H19C	109.5	C6—S9—C5	99.35 (12)
S4—C2—C3—S5	−1.3 (4)	C8—C9—N2—C18	−58.1 (3)
S2—C2—C3—S5	179.17 (15)	C8—C9—N2—C12	61.4 (3)
S4—C2—C3—S3	177.34 (15)	S1—C1—S2—C2	−179.42 (18)
S2—C2—C3—S3	−2.2 (3)	S3—C1—S2—C2	−0.51 (17)
S6—C4—C5—S7	−0.4 (4)	C3—C2—S2—C1	1.7 (2)
S8—C4—C5—S7	177.89 (15)	S4—C2—S2—C1	−177.95 (15)
S6—C4—C5—S9	−178.09 (17)	S1—C1—S3—C3	178.46 (17)
S8—C4—C5—S9	0.2 (3)	S2—C1—S3—C3	−0.46 (17)
C7—C8—C9—N2	−176.6 (3)	C2—C3—S3—C1	1.7 (2)
C10—C11—C12—N2	171.0 (3)	S5—C3—S3—C1	−179.55 (15)
C13—C14—C15—N2	174.8 (3)	C3—C2—S4—Hg1	−4.1 (2)
C16—C17—C18—N2	175.8 (3)	S2—C2—S4—Hg1	175.43 (12)
C19—C20—C21—N1	169.5 (3)	S7—Hg1—S4—C2	130.92 (8)
N1—C22—C23—C24	−175.2 (3)	S5—Hg1—S4—C2	5.16 (8)
N1—C25—C26—C27	−175.1 (3)	S6—Hg1—S4—C2	−115.47 (9)
N1—C28—C29—C30	171.5 (3)	C2—C3—S5—Hg1	5.7 (2)
C26—C25—N1—C21	62.8 (3)	S3—C3—S5—Hg1	−172.90 (12)
C26—C25—N1—C28	−54.9 (3)	S7—Hg1—S5—C3	−134.88 (9)
C26—C25—N1—C22	−176.3 (3)	S4—Hg1—S5—C3	−5.57 (9)
C20—C21—N1—C25	51.4 (3)	S6—Hg1—S5—C3	120.70 (9)
C20—C21—N1—C28	172.3 (2)	C5—C4—S6—Hg1	9.8 (3)
C20—C21—N1—C22	−67.0 (3)	S8—C4—S6—Hg1	−168.44 (14)
C29—C28—N1—C25	−60.6 (3)	S7—Hg1—S6—C4	−10.54 (10)
C29—C28—N1—C21	178.4 (3)	S4—Hg1—S6—C4	−141.15 (10)
C29—C28—N1—C22	58.0 (3)	S5—Hg1—S6—C4	112.15 (10)
C23—C22—N1—C25	−179.3 (3)	C4—C5—S7—Hg1	−9.4 (3)
C23—C22—N1—C21	−58.0 (3)	S9—C5—S7—Hg1	168.28 (12)
C23—C22—N1—C28	59.4 (3)	S4—Hg1—S7—C5	139.89 (8)
C14—C15—N2—C18	−51.6 (3)	S5—Hg1—S7—C5	−109.17 (8)
C14—C15—N2—C12	−172.0 (3)	S6—Hg1—S7—C5	10.37 (9)
C14—C15—N2—C9	67.5 (3)	S10—C6—S8—C4	177.7 (2)
C17—C18—N2—C15	−55.1 (3)	S9—C6—S8—C4	−2.24 (18)
C17—C18—N2—C12	65.6 (3)	C5—C4—S8—C6	1.3 (2)
C17—C18—N2—C9	−173.8 (3)	S6—C4—S8—C6	179.79 (16)
C11—C12—N2—C15	−65.5 (3)	S10—C6—S9—C5	−177.64 (19)
C11—C12—N2—C18	172.6 (3)	S8—C6—S9—C5	2.32 (18)
C11—C12—N2—C9	53.3 (3)	C4—C5—S9—C6	−1.6 (2)
C8—C9—N2—C15	−179.0 (3)	S7—C5—S9—C6	−179.59 (15)