(μ-2-Pyridine-aldazine-κN,N':N'',N''')bis-[bis-(N,N-di-n-propyl-dithio-carbamato-κS,S')cadmium(II)].

The dinuclear centrosymmetric title compound, [Cd(2)(C(7)H(14)NS(2))(4)(C(12)H(10)N(4))], features a tetra-dentate 2-pyridine-aldazine ligand that chelates two Cd centres. The coordination geometry for Cd is distorted octa-hedral based on a cis-N(2)S(4) donor set. In the crystal structure, mol-ecules are connected into a supra-molecular chain aligned along the a direction via C-H⋯S and C-H⋯π contacts, and by π-π contacts [centroid-to-centroid distance 3.5708 (15) Å]. The n-propyl groups are each disordered, one equally over two sites and the other with a site-occupancy factor of 0.618 (8) for the major component.

Related literature

For background literature, see: Tiekink (2006 ▶); Benson et al. (2007 ▶). For a related structure, see: Lai & Tiekink (2006 ▶).

Experimental

Crystal data

[Cd2(C7H14NS2)4(C12H10N4)]

M = 1140.39

Monoclinic,

a = 9.0768 (16) Å

b = 11.137 (2) Å

c = 25.389 (5) Å

β = 92.216 (3)°

V = 2564.7 (8) Å3

Z = 2

Mo Kα radiation

μ = 1.19 mm−1

T = 98 (2) K

0.35 × 0.12 × 0.10 mm

Data collection

Rigaku AFC12κ/SATURN724 diffractometer

Absorption correction: multi-scan (ABSCOR; Higashi, 1995 ▶) T min = 0.656, T max = 1 (expected range = 0.582–0.888)

20914 measured reflections

5861 independent reflections

5539 reflections with I > 2σ(I)

R int = 0.031

Refinement

R[F 2 > 2σ(F 2)] = 0.031

wR(F 2) = 0.077

S = 1.08

5861 reflections

299 parameters

H-atom parameters constrained

Δρmax = 0.71 e Å−3

Δρmin = −0.72 e Å−3

Data collection: CrystalClear (Rigaku/MSC, 2005 ▶); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SIR92 (Altomare et al., 1994 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: ORTEPII (Johnson, 1976 ▶) and DIAMOND (Brandenburg, 2006 ▶); software used to prepare material for publication: SHELXL97.

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536808025889/ng2485sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808025889/ng2485Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

[Cd2(C7H14NS2)4(C12H10N4)]	F(000) = 1172
Mr = 1140.39	Dx = 1.477 Mg m−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71070 Å
Hall symbol: -P 2ybc	Cell parameters from 16020 reflections
a = 9.0768 (16) Å	θ = 1.8–40.5°
b = 11.137 (2) Å	µ = 1.19 mm−1
c = 25.389 (5) Å	T = 98 K
β = 92.216 (3)°	Prism, red
V = 2564.7 (8) Å3	0.35 × 0.12 × 0.10 mm
Z = 2

Rigaku AFC12κ/SATURN724 diffractometer	5861 independent reflections
Radiation source: fine-focus sealed tube	5539 reflections with I > 2σ(I)
graphite	Rint = 0.031
ω scans	θmax = 27.5°, θmin = 2.3°
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	h = −11→11
Tmin = 0.656, Tmax = 1	k = −14→14
20914 measured reflections	l = −32→31

Refinement on F2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.031	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.077	H-atom parameters constrained
S = 1.08	w = 1/[σ2(Fo2) + (0.0362P)2 + 2.6654P] where P = (Fo2 + 2Fc2)/3
5861 reflections	(Δ/σ)max = 0.001
299 parameters	Δρmax = 0.71 e Å−3
0 restraints	Δρmin = −0.72 e Å−3

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.

	x	y	z	Uiso*/Ueq	Occ. (<1)
Cd	0.153452 (17)	0.407355 (14)	0.605114 (6)	0.01585 (6)
S1	0.07349 (7)	0.19908 (6)	0.56627 (3)	0.03080 (16)
S2	0.37230 (6)	0.24128 (5)	0.61348 (3)	0.02499 (14)
S3	−0.06899 (6)	0.53972 (6)	0.63409 (2)	0.02094 (12)
S4	0.19579 (6)	0.48599 (5)	0.70265 (2)	0.01910 (12)
N2	−0.0279 (2)	0.6233 (2)	0.73187 (8)	0.0204 (4)
N3	0.3282 (2)	0.53991 (17)	0.56901 (8)	0.0170 (4)
N4	0.06743 (19)	0.50248 (18)	0.51464 (7)	0.0162 (4)
C1	0.2466 (2)	0.1454 (2)	0.58446 (9)	0.0181 (4)
C2	0.1771 (3)	−0.0570 (2)	0.55108 (11)	0.0278 (5)	0.618 (8)
H2A	0.2185	−0.0870	0.5181	0.033*	0.618 (8)
H2B	0.0832	−0.0156	0.5417	0.033*	0.618 (8)
C3	0.1459 (5)	−0.1621 (4)	0.5862 (2)	0.0325 (13)	0.618 (8)
H3A	0.0719	−0.2141	0.5678	0.039*	0.618 (8)
H3B	0.2376	−0.2096	0.5912	0.039*	0.618 (8)
C4	0.0910 (4)	−0.1317 (4)	0.63923 (14)	0.0540 (10)	0.618 (8)
H4A	0.0742	−0.2057	0.6590	0.081*	0.618 (8)
H4B	−0.0017	−0.0869	0.6351	0.081*	0.618 (8)
H4C	0.1644	−0.0823	0.6585	0.081*	0.618 (8)
C80	0.1771 (3)	−0.0570 (2)	0.55108 (11)	0.0278 (5)	0.382 (8)
H80A	0.2327	−0.1285	0.5399	0.033*	0.382 (8)
H80B	0.1301	−0.0204	0.5191	0.033*	0.382 (8)
C30	0.0531 (8)	−0.0980 (6)	0.5891 (3)	0.031 (2)	0.382 (8)
H30A	−0.0184	−0.0312	0.5912	0.037*	0.382 (8)
H30B	0.0002	−0.1663	0.5720	0.037*	0.382 (8)
C40	0.0910 (4)	−0.1317 (4)	0.63923 (14)	0.0540 (10)	0.382 (8)
H40A	0.0021	−0.1544	0.6576	0.081*	0.382 (8)
H40B	0.1398	−0.0645	0.6578	0.081*	0.382 (8)
H40C	0.1584	−0.2003	0.6385	0.081*	0.382 (8)
N1	0.2807 (2)	0.0299 (2)	0.57585 (10)	0.0293 (5)	0.50
C5	0.4367 (6)	−0.0111 (5)	0.5768 (3)	0.0210 (11)	0.50
H5A	0.5005	0.0539	0.5641	0.025*	0.50
H5B	0.4462	−0.0812	0.5532	0.025*	0.50
C6	0.4858 (5)	−0.0460 (5)	0.6335 (2)	0.0235 (10)	0.50
H6A	0.4651	0.0209	0.6578	0.028*	0.50
H6B	0.4298	−0.1173	0.6447	0.028*	0.50
C7	0.6503 (6)	−0.0740 (5)	0.6360 (3)	0.0325 (13)	0.50
H7A	0.6809	−0.0963	0.6721	0.049*	0.50
H7B	0.7054	−0.0029	0.6254	0.049*	0.50
H7C	0.6702	−0.1407	0.6122	0.049*	0.50
N10	0.2807 (2)	0.0299 (2)	0.57585 (10)	0.0293 (5)	0.50
C50	0.4217 (7)	−0.0203 (5)	0.6042 (3)	0.0279 (13)	0.50
H50A	0.4466	0.0270	0.6363	0.033*	0.50
H50B	0.4068	−0.1051	0.6144	0.033*	0.50
C60	0.5433 (7)	−0.0108 (5)	0.5656 (3)	0.0360 (13)	0.50
H60A	0.5545	0.0740	0.5547	0.043*	0.50
H60B	0.5169	−0.0586	0.5337	0.043*	0.50
C70	0.6906 (7)	−0.0567 (6)	0.5903 (3)	0.0447 (16)	0.50
H70A	0.7677	−0.0504	0.5645	0.067*	0.50
H70B	0.6797	−0.1408	0.6009	0.067*	0.50
H70C	0.7180	−0.0081	0.6214	0.067*	0.50
C8	0.0275 (2)	0.5569 (2)	0.69392 (9)	0.0178 (4)
C9	−0.1698 (3)	0.6864 (2)	0.72549 (11)	0.0263 (5)
H9A	−0.1865	0.7086	0.6880	0.032*
H9B	−0.1652	0.7615	0.7464	0.032*
C10	−0.2992 (3)	0.6109 (3)	0.74297 (12)	0.0355 (7)
H10A	−0.2835	0.5887	0.7805	0.043*
H10B	−0.3050	0.5360	0.7220	0.043*
C11	−0.4437 (3)	0.6802 (4)	0.73570 (13)	0.0472 (9)
H11A	−0.5253	0.6304	0.7473	0.071*
H11B	−0.4602	0.7007	0.6984	0.071*
H11C	−0.4383	0.7540	0.7567	0.071*
C12	0.0537 (3)	0.6428 (2)	0.78277 (9)	0.0234 (5)
H12A	0.1123	0.5701	0.7918	0.028*
H12B	−0.0177	0.6551	0.8108	0.028*
C13	0.1564 (3)	0.7511 (2)	0.78105 (10)	0.0242 (5)
H13A	0.0972	0.8253	0.7767	0.029*
H13B	0.2198	0.7439	0.7503	0.029*
C14	0.2533 (3)	0.7595 (3)	0.83168 (11)	0.0304 (6)
H14A	0.3183	0.8295	0.8297	0.046*
H14B	0.3131	0.6865	0.8357	0.046*
H14C	0.1906	0.7678	0.8620	0.046*
C15	0.4586 (3)	0.5575 (2)	0.59424 (10)	0.0202 (5)
H15	0.4744	0.5230	0.6282	0.024*
C16	0.5719 (3)	0.6238 (2)	0.57324 (10)	0.0215 (5)
H16	0.6628	0.6342	0.5925	0.026*
C17	0.5501 (3)	0.6745 (2)	0.52364 (10)	0.0227 (5)
H17	0.6262	0.7192	0.5080	0.027*
C18	0.4137 (3)	0.6584 (2)	0.49713 (9)	0.0193 (4)
H18	0.3948	0.6930	0.4633	0.023*
C19	0.3063 (2)	0.59112 (19)	0.52103 (9)	0.0161 (4)
C20	0.1614 (2)	0.5730 (2)	0.49415 (9)	0.0169 (4)
H20	0.1376	0.6131	0.4619	0.020*

	U11	U22	U33	U12	U13	U23
Cd	0.01450 (9)	0.01688 (9)	0.01615 (10)	0.00097 (6)	0.00017 (6)	−0.00067 (6)
S1	0.0254 (3)	0.0220 (3)	0.0437 (4)	0.0073 (2)	−0.0170 (3)	−0.0097 (3)
S2	0.0160 (3)	0.0172 (3)	0.0413 (4)	−0.0007 (2)	−0.0038 (2)	0.0019 (2)
S3	0.0162 (3)	0.0263 (3)	0.0201 (3)	0.0040 (2)	−0.0029 (2)	−0.0056 (2)
S4	0.0159 (3)	0.0221 (3)	0.0192 (3)	0.0031 (2)	−0.0004 (2)	−0.0007 (2)
N2	0.0146 (9)	0.0258 (10)	0.0207 (10)	0.0011 (8)	0.0002 (7)	−0.0066 (8)
N3	0.0169 (9)	0.0166 (9)	0.0172 (9)	0.0019 (7)	−0.0018 (7)	−0.0009 (7)
N4	0.0135 (9)	0.0192 (9)	0.0156 (9)	−0.0008 (7)	−0.0038 (7)	−0.0006 (7)
C1	0.0185 (10)	0.0167 (10)	0.0193 (11)	0.0003 (8)	0.0025 (8)	0.0035 (9)
C2	0.0275 (13)	0.0207 (12)	0.0348 (14)	−0.0004 (10)	−0.0021 (10)	−0.0054 (11)
C3	0.031 (2)	0.022 (2)	0.045 (3)	−0.0029 (18)	−0.0006 (19)	−0.0092 (19)
C4	0.046 (2)	0.075 (3)	0.0421 (19)	−0.0291 (19)	0.0068 (15)	−0.0073 (18)
C80	0.0275 (13)	0.0207 (12)	0.0348 (14)	−0.0004 (10)	−0.0021 (10)	−0.0054 (11)
C30	0.026 (4)	0.022 (4)	0.043 (4)	−0.006 (3)	−0.003 (3)	−0.005 (3)
C40	0.046 (2)	0.075 (3)	0.0421 (19)	−0.0291 (19)	0.0068 (15)	−0.0073 (18)
N1	0.0196 (10)	0.0189 (10)	0.0493 (14)	0.0004 (8)	−0.0019 (9)	−0.0003 (10)
C5	0.014 (3)	0.023 (3)	0.026 (3)	0.0064 (18)	0.008 (2)	−0.008 (3)
C6	0.013 (2)	0.022 (2)	0.034 (3)	0.0030 (18)	−0.011 (2)	0.005 (2)
C7	0.019 (2)	0.022 (2)	0.056 (4)	0.0074 (19)	−0.011 (2)	−0.012 (2)
N10	0.0196 (10)	0.0189 (10)	0.0493 (14)	0.0004 (8)	−0.0019 (9)	−0.0003 (10)
C50	0.029 (3)	0.020 (3)	0.035 (4)	0.004 (2)	0.004 (3)	−0.003 (3)
C60	0.037 (4)	0.027 (3)	0.044 (3)	0.007 (2)	−0.003 (3)	0.002 (2)
C70	0.028 (3)	0.037 (3)	0.070 (5)	0.006 (3)	−0.001 (3)	−0.006 (3)
C8	0.0148 (10)	0.0182 (10)	0.0206 (11)	−0.0026 (8)	0.0029 (8)	−0.0004 (9)
C9	0.0171 (11)	0.0322 (13)	0.0294 (13)	0.0073 (10)	0.0000 (9)	−0.0119 (11)
C10	0.0184 (12)	0.0529 (18)	0.0356 (15)	0.0001 (12)	0.0065 (10)	−0.0130 (14)
C11	0.0168 (13)	0.082 (3)	0.0430 (17)	0.0039 (14)	0.0017 (11)	−0.0247 (18)
C12	0.0218 (11)	0.0296 (13)	0.0188 (11)	0.0009 (10)	0.0001 (9)	−0.0060 (10)
C13	0.0192 (11)	0.0249 (12)	0.0279 (13)	0.0031 (9)	−0.0042 (9)	−0.0050 (10)
C14	0.0236 (12)	0.0339 (14)	0.0329 (14)	0.0053 (11)	−0.0082 (10)	−0.0069 (11)
C15	0.0184 (11)	0.0198 (11)	0.0221 (11)	0.0017 (9)	−0.0051 (8)	0.0007 (9)
C16	0.0154 (10)	0.0198 (11)	0.0288 (12)	0.0000 (9)	−0.0046 (9)	−0.0037 (10)
C17	0.0180 (11)	0.0181 (11)	0.0319 (13)	−0.0008 (9)	0.0013 (9)	−0.0005 (10)
C18	0.0191 (11)	0.0177 (11)	0.0212 (11)	−0.0008 (8)	0.0013 (8)	0.0001 (9)
C19	0.0169 (10)	0.0141 (10)	0.0173 (11)	0.0016 (8)	0.0007 (8)	−0.0030 (8)
C20	0.0164 (10)	0.0187 (10)	0.0156 (10)	0.0022 (8)	0.0002 (8)	−0.0017 (8)

Cd—N3	2.377 (2)	C6—H6A	0.9900
Cd—S1	2.6124 (8)	C6—H6B	0.9900
Cd—N4	2.6211 (19)	C7—H7A	0.9800
Cd—S3	2.6279 (7)	C7—H7B	0.9800
Cd—S4	2.6407 (7)	C7—H7C	0.9800
Cd—S2	2.7165 (7)	N10—C50	1.548 (7)
S1—C1	1.727 (2)	C50—C60	1.508 (9)
S2—C1	1.709 (2)	C50—H50A	0.9900
S3—C8	1.735 (2)	C50—H50B	0.9900
S4—C8	1.726 (2)	C60—C70	1.543 (8)
N2—C8	1.329 (3)	C60—H60A	0.9900
N2—C9	1.470 (3)	C60—H60B	0.9900
N2—C12	1.480 (3)	C70—H70A	0.9800
N3—C15	1.338 (3)	C70—H70B	0.9800
N3—C19	1.353 (3)	C70—H70C	0.9800
N4—C20	1.284 (3)	C9—C10	1.525 (4)
N4—N4i	1.409 (3)	C9—H9A	0.9900
C1—N10	1.342 (3)	C9—H9B	0.9900
C1—N1	1.342 (3)	C10—C11	1.527 (4)
C2—N1	1.474 (3)	C10—H10A	0.9900
C2—C3	1.505 (5)	C10—H10B	0.9900
C2—H2A	0.9900	C11—H11A	0.9800
C2—H2B	0.9900	C11—H11B	0.9800
C3—C4	1.493 (6)	C11—H11C	0.9800
C3—H3A	0.9900	C12—C13	1.526 (4)
C3—H3B	0.9900	C12—H12A	0.9900
C4—H4A	0.9800	C12—H12B	0.9900
C4—H4B	0.9800	C13—C14	1.532 (3)
C4—H4C	0.9800	C13—H13A	0.9900
C80—N10	1.474 (3)	C13—H13B	0.9900
C80—C30	1.578 (8)	C14—H14A	0.9800
C80—H80A	0.9900	C14—H14B	0.9800
C80—H80B	0.9900	C14—H14C	0.9800
C30—C40	1.358 (9)	C15—C16	1.389 (3)
C30—H30A	0.9900	C15—H15	0.9500
C30—H30B	0.9900	C16—C17	1.387 (4)
C40—H40A	0.9800	C16—H16	0.9500
C40—H40B	0.9800	C17—C18	1.398 (3)
C40—H40C	0.9800	C17—H17	0.9500
N1—C5	1.487 (5)	C18—C19	1.388 (3)
C5—C6	1.539 (8)	C18—H18	0.9500
C5—H5A	0.9900	C19—C20	1.472 (3)
C5—H5B	0.9900	C20—H20	0.9500
C6—C7	1.524 (7)
N3—Cd—S1	125.86 (5)	C6—C7—H7A	109.5
N3—Cd—N4	65.89 (6)	C6—C7—H7B	109.5
S1—Cd—N4	87.65 (5)	H7A—C7—H7B	109.5
N3—Cd—S3	106.92 (5)	C6—C7—H7C	109.5
S1—Cd—S3	113.49 (2)	H7A—C7—H7C	109.5
N4—Cd—S3	79.19 (4)	H7B—C7—H7C	109.5
N3—Cd—S4	94.63 (5)	C1—N10—C80	123.5 (2)
S1—Cd—S4	132.59 (2)	C1—N10—C50	117.5 (3)
N4—Cd—S4	135.68 (5)	C80—N10—C50	117.6 (3)
S3—Cd—S4	68.714 (18)	C60—C50—N10	106.6 (6)
N3—Cd—S2	87.49 (5)	C60—C50—H50A	110.4
S1—Cd—S2	67.45 (2)	N10—C50—H50A	110.4
N4—Cd—S2	122.40 (5)	C60—C50—H50B	110.4
S3—Cd—S2	158.05 (2)	N10—C50—H50B	110.4
S4—Cd—S2	94.19 (2)	H50A—C50—H50B	108.6
C1—S1—Cd	88.28 (8)	C50—C60—C70	110.9 (5)
C1—S2—Cd	85.28 (8)	C50—C60—H60A	109.5
C8—S3—Cd	86.54 (8)	C70—C60—H60A	109.5
C8—S4—Cd	86.30 (8)	C50—C60—H60B	109.5
C8—N2—C9	122.7 (2)	C70—C60—H60B	109.5
C8—N2—C12	121.6 (2)	H60A—C60—H60B	108.1
C9—N2—C12	115.64 (19)	C60—C70—H70A	109.5
C15—N3—C19	117.8 (2)	C60—C70—H70B	109.5
C15—N3—Cd	119.82 (16)	H70A—C70—H70B	109.5
C19—N3—Cd	122.14 (15)	C60—C70—H70C	109.5
C20—N4—N4i	112.8 (2)	H70A—C70—H70C	109.5
C20—N4—Cd	114.97 (14)	H70B—C70—H70C	109.5
N4i—N4—Cd	132.07 (19)	N2—C8—S4	121.29 (18)
N10—C1—N1	0.0 (2)	N2—C8—S3	120.26 (17)
N10—C1—S2	120.96 (18)	S4—C8—S3	118.45 (13)
N1—C1—S2	120.96 (18)	N2—C9—C10	112.7 (2)
N10—C1—S1	120.08 (18)	N2—C9—H9A	109.1
N1—C1—S1	120.08 (18)	C10—C9—H9A	109.1
S2—C1—S1	118.96 (14)	N2—C9—H9B	109.1
N1—C2—C3	112.9 (3)	C10—C9—H9B	109.1
N1—C2—H2A	109.0	H9A—C9—H9B	107.8
C3—C2—H2A	109.0	C9—C10—C11	110.7 (3)
N1—C2—H2B	109.0	C9—C10—H10A	109.5
C3—C2—H2B	109.0	C11—C10—H10A	109.5
H2A—C2—H2B	107.8	C9—C10—H10B	109.5
C4—C3—C2	115.8 (3)	C11—C10—H10B	109.5
C4—C3—H3A	108.3	H10A—C10—H10B	108.1
C2—C3—H3A	108.3	C10—C11—H11A	109.5
C4—C3—H3B	108.3	C10—C11—H11B	109.5
C2—C3—H3B	108.3	H11A—C11—H11B	109.5
H3A—C3—H3B	107.4	C10—C11—H11C	109.5
C3—C4—H4A	109.5	H11A—C11—H11C	109.5
C3—C4—H4B	109.5	H11B—C11—H11C	109.5
H4A—C4—H4B	109.5	N2—C12—C13	112.1 (2)
C3—C4—H4C	109.5	N2—C12—H12A	109.2
H4A—C4—H4C	109.5	C13—C12—H12A	109.2
H4B—C4—H4C	109.5	N2—C12—H12B	109.2
N10—C80—C30	112.8 (3)	C13—C12—H12B	109.2
N10—C80—H80A	109.0	H12A—C12—H12B	107.9
C30—C80—H80A	109.0	C12—C13—C14	110.9 (2)
N10—C80—H80B	109.0	C12—C13—H13A	109.5
C30—C80—H80B	109.0	C14—C13—H13A	109.5
H80A—C80—H80B	107.8	C12—C13—H13B	109.5
C40—C30—C80	119.5 (5)	C14—C13—H13B	109.5
C40—C30—H30A	107.4	H13A—C13—H13B	108.1
C80—C30—H30A	107.4	C13—C14—H14A	109.5
C40—C30—H30B	107.4	C13—C14—H14B	109.5
C80—C30—H30B	107.4	H14A—C14—H14B	109.5
H30A—C30—H30B	107.0	C13—C14—H14C	109.5
C30—C40—H40A	109.5	H14A—C14—H14C	109.5
C30—C40—H40B	109.5	H14B—C14—H14C	109.5
H40A—C40—H40B	109.5	N3—C15—C16	123.3 (2)
C30—C40—H40C	109.5	N3—C15—H15	118.4
H40A—C40—H40C	109.5	C16—C15—H15	118.4
H40B—C40—H40C	109.5	C17—C16—C15	118.9 (2)
C1—N1—C2	123.5 (2)	C17—C16—H16	120.6
C1—N1—C5	121.2 (3)	C15—C16—H16	120.6
C2—N1—C5	113.4 (3)	C16—C17—C18	118.5 (2)
N1—C5—C6	109.6 (5)	C16—C17—H17	120.7
N1—C5—H5A	109.8	C18—C17—H17	120.7
C6—C5—H5A	109.8	C19—C18—C17	118.9 (2)
N1—C5—H5B	109.8	C19—C18—H18	120.6
C6—C5—H5B	109.8	C17—C18—H18	120.6
H5A—C5—H5B	108.2	N3—C19—C18	122.7 (2)
C7—C6—C5	109.8 (5)	N3—C19—C20	117.2 (2)
C7—C6—H6A	109.7	C18—C19—C20	120.1 (2)
C5—C6—H6A	109.7	N4—C20—C19	119.5 (2)
C7—C6—H6B	109.7	N4—C20—H20	120.3
C5—C6—H6B	109.7	C19—C20—H20	120.3
H6A—C6—H6B	108.2
N3—Cd—S1—C1	69.94 (10)	S1—C1—N1—C2	0.0 (4)
N4—Cd—S1—C1	127.66 (9)	N10—C1—N1—C5	0(100)
S3—Cd—S1—C1	−155.19 (8)	S2—C1—N1—C5	−17.3 (5)
S4—Cd—S1—C1	−73.14 (8)	S1—C1—N1—C5	162.8 (4)
S2—Cd—S1—C1	0.95 (8)	C3—C2—N1—C1	−120.0 (3)
N3—Cd—S2—C1	−131.74 (9)	C3—C2—N1—C5	76.1 (4)
S1—Cd—S2—C1	−0.97 (8)	C1—N1—C5—C6	88.3 (5)
N4—Cd—S2—C1	−72.54 (9)	C2—N1—C5—C6	−107.3 (4)
S3—Cd—S2—C1	96.17 (9)	N1—C5—C6—C7	−173.3 (4)
S4—Cd—S2—C1	133.80 (8)	N1—C1—N10—C80	0(40)
N3—Cd—S3—C8	−87.89 (9)	S2—C1—N10—C80	179.9 (2)
S1—Cd—S3—C8	129.01 (8)	S1—C1—N10—C80	0.0 (4)
N4—Cd—S3—C8	−148.37 (9)	N1—C1—N10—C50	0(100)
S4—Cd—S3—C8	0.51 (8)	S2—C1—N10—C50	13.8 (5)
S2—Cd—S3—C8	41.31 (10)	S1—C1—N10—C50	−166.1 (4)
N3—Cd—S4—C8	105.86 (9)	C30—C80—N10—C1	−74.1 (4)
S1—Cd—S4—C8	−103.38 (8)	C30—C80—N10—C50	92.0 (5)
N4—Cd—S4—C8	46.11 (10)	C1—N10—C50—C60	−95.8 (5)
S3—Cd—S4—C8	−0.51 (8)	C80—N10—C50—C60	97.3 (5)
S2—Cd—S4—C8	−166.33 (8)	N10—C50—C60—C70	179.0 (5)
S1—Cd—N3—C15	−110.58 (17)	C9—N2—C8—S4	179.07 (19)
N4—Cd—N3—C15	−178.32 (19)	C12—N2—C8—S4	1.9 (3)
S3—Cd—N3—C15	112.22 (17)	C9—N2—C8—S3	−0.9 (3)
S4—Cd—N3—C15	43.08 (17)	C12—N2—C8—S3	−178.15 (18)
S2—Cd—N3—C15	−50.92 (17)	Cd—S4—C8—N2	−179.2 (2)
S1—Cd—N3—C19	63.49 (18)	Cd—S4—C8—S3	0.82 (13)
N4—Cd—N3—C19	−4.25 (16)	Cd—S3—C8—N2	179.2 (2)
S3—Cd—N3—C19	−73.71 (17)	Cd—S3—C8—S4	−0.82 (13)
S4—Cd—N3—C19	−142.85 (16)	C8—N2—C9—C10	90.9 (3)
S2—Cd—N3—C19	123.15 (17)	C12—N2—C9—C10	−91.7 (3)
N3—Cd—N4—C20	1.00 (15)	N2—C9—C10—C11	179.9 (2)
S1—Cd—N4—C20	−130.34 (16)	C8—N2—C12—C13	88.1 (3)
S3—Cd—N4—C20	115.21 (16)	C9—N2—C12—C13	−89.3 (3)
S4—Cd—N4—C20	71.62 (17)	N2—C12—C13—C14	−172.8 (2)
S2—Cd—N4—C20	−69.06 (17)	C19—N3—C15—C16	−1.0 (3)
N3—Cd—N4—N4i	−174.1 (3)	Cd—N3—C15—C16	173.34 (18)
S1—Cd—N4—N4i	54.6 (3)	N3—C15—C16—C17	−0.1 (4)
S3—Cd—N4—N4i	−59.9 (2)	C15—C16—C17—C18	1.1 (4)
S4—Cd—N4—N4i	−103.4 (2)	C16—C17—C18—C19	−0.9 (4)
S2—Cd—N4—N4i	115.9 (2)	C15—N3—C19—C18	1.1 (3)
Cd—S2—C1—N10	−178.4 (2)	Cd—N3—C19—C18	−173.05 (17)
Cd—S2—C1—N1	−178.4 (2)	C15—N3—C19—C20	−178.9 (2)
Cd—S2—C1—S1	1.54 (13)	Cd—N3—C19—C20	6.9 (3)
Cd—S1—C1—N10	178.3 (2)	C17—C18—C19—N3	−0.2 (3)
Cd—S1—C1—N1	178.3 (2)	C17—C18—C19—C20	179.8 (2)
Cd—S1—C1—S2	−1.60 (13)	N4i—N4—C20—C19	178.0 (2)
N1—C2—C3—C4	55.2 (4)	Cd—N4—C20—C19	1.9 (3)
N10—C80—C30—C40	−47.3 (7)	N3—C19—C20—N4	−5.7 (3)
S2—C1—N1—C2	179.9 (2)	C18—C19—C20—N4	174.3 (2)

D—H···A	D—H	H···A	D···A	D—H···A
C9—H9B···S4ii	0.99	2.83	3.815 (3)	171
C16—H16···S3iii	0.95	2.82	3.674 (3)	150
C3—H3B···Cgiv	0.95	2.99	3.853 (5)	147

Table 1

Hydrogen-bond geometry (Å, °)

Cg is the centroid of the N3/C15–C19 ring.

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
C9—H9B⋯S4i	0.99	2.83	3.815 (3)	171
C16—H16⋯S3ii	0.95	2.82	3.674 (3)	150
C3—H3B⋯Cgiii	0.95	2.99	3.853 (5)	147

Symmetry codes: (i) ; (ii) ; (iii) .