Poly[bis(μ3-thio­cyanato-κ3N:S:S′)(μ2-thio­cyanato-κ2N:S)(4′-p-tolyl-2,2′:6′,2′′-terpyridine-κ3N,N′,N′′)cadmium(II)silver(I)]

Li, Y.-Y.; Wei, Z.-H.; Ng, S.W.

doi:10.1107/S160053681003744X

metal-organic compounds

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

Volume 66| Part 10| October 2010| Pages m1313-m1314

doi:10.1107/S160053681003744X

Open

access

Poly[bis(μ₃-thiocyanato-κ³N:S:S′)(μ₂-thiocyanato-κ²N:S)(4′-p-tolyl-2,2′:6′,2′′-terpyridine-κ³N,N′,N′′)cadmium(II)silver(I)]

Yu-Yang Li,^a Zhen-Hong Wei ^a and Seik Weng Ng ^b ^*

^aDepartment of Chemistry, Nanchang University, Nanchang 330031, People's Republic of China, and ^bDepartment of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia
^*Correspondence e-mail: seikweng@um.edu.my

(Received 15 September 2010; accepted 18 September 2010; online 30 September 2010)

The title compound, [AgCd(NCS)₃(C₂₂H₁₇N₃)]_n, is a heteroatom ribbon coordination polymer. The central Cd atom is chelated by the 4′-p-tolyl-2,2′:6′,2′′-terpyridine ligand and is coordinated by the N atoms of three thiocyanate ions in an octahedral geometry whereas the Ag atom is coordinated by the four S atoms of four thiocyanate ions in a distorted tetrahedral geometry. Of the three thiocyanate ions, one functions in a μ₂-bridging mode and two in a μ₃-bridging mode. The ribbon coordination polymer propagates along the a-axis.

Related literature

For the synthesis and coordination chemistry of the terpyridine ligand, see: Zhang et al. (2006 ).

Experimental

Crystal data

[AgCd(NCS)₃(C₂₂H₁₇N₃)]
M_r = 717.90
Triclinic, $[P \overline 1]$
a = 10.2431 (10) Å
b = 10.7881 (10) Å
c = 13.1180 (12) Å
α = 73.045 (2)°
β = 69.000 (2)°
γ = 88.231 (2)°
V = 1290.1 (2) Å³
Z = 2
Mo Kα radiation
μ = 1.85 mm⁻¹
T = 295 K
0.30 × 0.30 × 0.25 mm

Data collection

Bruker SMART diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ) T_min = 0.604, T_max = 1.000
6870 measured reflections
4432 independent reflections
3910 reflections with I > 2σ(I)
R_int = 0.018

Refinement

R[F² > 2σ(F²)] = 0.037
wR(F²) = 0.097
S = 1.02
4432 reflections
326 parameters
H-atom parameters constrained
Δρ_max = 0.75 e Å⁻³
Δρ_min = −0.59 e Å⁻³

Table 1
Selected bond lengths (Å)

Cd1—N1	2.344 (3)
Cd1—N2	2.326 (3)
Cd1—N3	2.322 (3)
Cd1—N4	2.308 (4)
Cd1—N5	2.312 (4)
Cd1—N6	2.275 (4)
Ag1—S1	2.707 (2)
Ag1—S1ⁱ	2.589 (1)
Ag1—S2	2.639 (1)
Ag1—S3ⁱⁱ	2.521 (1)
Symmetry codes: (i) -x, -y+1, -z+1; (ii) -x+1, -y+1, -z+1.

Data collection: SMART (Bruker, 2003 ); cell refinement: SAINT (Bruker, 2003); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: X-SEED (Barbour, 2001 ); software used to prepare material for publication: publCIF (Westrip, 2010 ).

Supporting information

Crystal structure: contains datablocks global, I. DOI: 10.1107/S160053681003744X/nk2062sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S160053681003744X/nk2062Isup2.hkl

checkCIF report

Comment top

We have recently explored the coordination chemistry of 4'-aryl-2,2':6',2"-terpyridines; such neutral ligands feature three pyridyl sites that are capable of terdentate chelation (Zhang et al., 2006). Occasionally, we have been able to synthesize a bis-chelated metal system whose positive charge is balanced by a metallate ion. In the present study, the attempt at synthesizing bis(4'-p-tolyl-2,2':6',2"-terpyridine)cadmium tristhiocyanatoargentate gave instead a compound formulated from the diffraction analaysis as [AgCd(NCS)₃(C₂₂H₁₇N₃)]_n (Scheme I, Fig. 1). The heteroatom coordination polymer has the Cd centre coordinated by the 4'-p-tolyl-2,2':6',2"-terpyridine ligand and the N atoms of three thiocyanate ions in an octahedral geometry. The Ag atom is coordinated by the S atoms of four thiocyanate ions in a tetrahedral geometry. Of the three thiocynate ions, one functions in a µ₂-bridging mode and two in a µ₃-bridging mode. The ribbon coordination polymer propagates along the a-axis of the triclinic unit cell. (Fig. 2).

Related literature top

For the synthesis and coordination chemistry of the terpyridine ligand, see: Zhang et al. (2006).

Experimental top

Silver thiocyanate (0.066 g, 0.4 mmol), cadmium perchlorate hexahydrate (0.042 g, 0.1 mmol) and 4'-p-tolyl-2,2':6',2"-terpyridine (0.065 g, 0.2 mmol, which was synthesized by using a literature procedure (Zhang et al., 2006), along with triphenylphosphine (0.105, 0.4 mmol) and acetonitrile (8 ml) were placed in a 15-ml, Teflon-lined, stainless-steel Parr bomb. The reactor was heated in an oven at 723 K for 72 h. It was then cooled to room temperature at a rate of 10 K an hour. Yellow crystals were obtained in 50% (based on 4'-p-tolyl-2,2':6',2"-terpyridine).

Computing details top

Data collection: SMART (Bruker, 2003); cell refinement: SAINT (Bruker, 2003); data reduction: SAINT (Bruker, 2003); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: X-SEED (Barbour, 2001); software used to prepare material for publication: publCIF (Westrip, 2010).

Figures top

	Fig. 1. Displacement ellipsoid plot of a portion of the ribbon structure of [AgCd(NCS)₃(C₂₂H₁₇N₃)]_n at the 50% probability level; hydrogen atoms are drawn as spheres of arbitrary radius. Symmetry codes: (i) -x, -y+1, -z+1; (ii) -x+1, -y+1, -z+1.
	Fig. 2. The ribbon coordination polymer in the title compound, which propagates in the a-axis direction.

Poly[bis(µ₃-thiocyanato-κ³N:S:S')(µ₂- thiocyanato-κ²N:S)(4'-p-tolyl-2,2':6',2''-terpyridine- κ³N,N',N'')cadmium(II)silver(I)] top

Crystal data top

[AgCd(NCS)₃(C₂₂H₁₇N₃)]	Z = 2
M_r = 717.90	F(000) = 704
Triclinic, P1	D_x = 1.848 Mg m⁻³
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 10.2431 (10) Å	Cell parameters from 2780 reflections
b = 10.7881 (10) Å	θ = 2.7–25.0°
c = 13.1180 (12) Å	µ = 1.85 mm⁻¹
α = 73.045 (2)°	T = 295 K
β = 69.000 (2)°	Prism, yellow
γ = 88.231 (2)°	0.30 × 0.30 × 0.25 mm
V = 1290.1 (2) Å³

Data collection top

Bruker SMART diffractometer	4432 independent reflections
Radiation source: fine-focus sealed tube	3910 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.018
ϕ and ω scans	θ_max = 25.0°, θ_min = 2.1°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −9→12
T_min = 0.604, T_max = 1.000	k = −10→12
6870 measured reflections	l = −14→15

Refinement top

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)] = 0.037	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.097	H-atom parameters constrained
S = 1.02	w = 1/[σ²(F_o²) + (0.0548P)² + 0.5516P] where P = (F_o² + 2F_c²)/3
4432 reflections	(Δ/σ)_max = 0.001
326 parameters	Δρ_max = 0.75 e Å⁻³
0 restraints	Δρ_min = −0.59 e Å⁻³

Crystal data top

[AgCd(NCS)₃(C₂₂H₁₇N₃)]	γ = 88.231 (2)°
M_r = 717.90	V = 1290.1 (2) Å³
Triclinic, P1	Z = 2
a = 10.2431 (10) Å	Mo Kα radiation
b = 10.7881 (10) Å	µ = 1.85 mm⁻¹
c = 13.1180 (12) Å	T = 295 K
α = 73.045 (2)°	0.30 × 0.30 × 0.25 mm
β = 69.000 (2)°

Data collection top

Bruker SMART diffractometer	4432 independent reflections
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	3910 reflections with I > 2σ(I)
T_min = 0.604, T_max = 1.000	R_int = 0.018
6870 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.037	0 restraints
wR(F²) = 0.097	H-atom parameters constrained
S = 1.02	Δρ_max = 0.75 e Å⁻³
4432 reflections	Δρ_min = −0.59 e Å⁻³
326 parameters

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
Cd1	0.35097 (3)	0.60113 (3)	0.72815 (2)	0.03873 (12)
Ag1	0.10392 (4)	0.65042 (5)	0.43358 (4)	0.06953 (15)
S1	0.15459 (13)	0.40610 (14)	0.53373 (12)	0.0620 (3)
S2	0.02307 (13)	0.81055 (13)	0.55890 (11)	0.0564 (3)
S3	0.67482 (14)	0.24010 (13)	0.73061 (11)	0.0581 (3)
N1	0.5157 (3)	0.7499 (3)	0.5680 (3)	0.0406 (8)
N2	0.4812 (3)	0.7228 (3)	0.7841 (3)	0.0326 (7)
N3	0.2798 (3)	0.5376 (3)	0.9263 (3)	0.0399 (8)
N4	0.1985 (5)	0.4575 (5)	0.7163 (5)	0.0832 (15)
N5	0.1895 (4)	0.7448 (4)	0.6917 (4)	0.0584 (10)
N6	0.5008 (4)	0.4416 (4)	0.7139 (4)	0.0665 (12)
C1	0.1772 (5)	0.4438 (5)	0.9948 (4)	0.0532 (11)
H1	0.1315	0.4041	0.9613	0.064*
C2	0.1365 (5)	0.4039 (5)	1.1107 (4)	0.0603 (13)
H2	0.0646	0.3385	1.1553	0.072*
C3	0.2025 (5)	0.4612 (5)	1.1601 (4)	0.0620 (13)
H3	0.1763	0.4360	1.2393	0.074*
C4	0.3089 (5)	0.5572 (5)	1.0916 (4)	0.0545 (12)
H4	0.3553	0.5970	1.1246	0.065*
C5	0.3470 (4)	0.5943 (4)	0.9750 (3)	0.0337 (8)
C6	0.4614 (4)	0.6971 (4)	0.8953 (3)	0.0337 (8)
C7	0.5406 (4)	0.7635 (4)	0.9314 (3)	0.0363 (9)
H7	0.5251	0.7436	1.0089	0.044*
C8	0.6438 (4)	0.8600 (4)	0.8517 (3)	0.0340 (8)
C9	0.7284 (4)	0.9362 (4)	0.8865 (3)	0.0369 (9)
C10	0.6754 (4)	0.9573 (4)	0.9935 (3)	0.0415 (9)
H10	0.5896	0.9157	1.0469	0.050*
C11	0.7497 (5)	1.0396 (4)	1.0209 (4)	0.0459 (10)
H11	0.7120	1.0524	1.0926	0.055*
C12	0.8775 (4)	1.1029 (4)	0.9452 (4)	0.0447 (10)
C13	0.9541 (5)	1.1953 (5)	0.9751 (5)	0.0663 (14)
H13A	0.9749	1.2780	0.9169	0.099*
H13B	1.0399	1.1609	0.9801	0.099*
H13C	0.8963	1.2060	1.0475	0.099*
C14	0.9318 (4)	1.0779 (4)	0.8406 (4)	0.0503 (11)
H14	1.0195	1.1170	0.7889	0.060*
C15	0.8601 (4)	0.9973 (4)	0.8109 (4)	0.0440 (10)
H15	0.8997	0.9832	0.7398	0.053*
C16	0.6626 (4)	0.8850 (4)	0.7365 (3)	0.0355 (8)
H16	0.7299	0.9495	0.6807	0.043*
C17	0.5810 (4)	0.8137 (4)	0.7051 (3)	0.0323 (8)
C18	0.5954 (4)	0.8332 (4)	0.5847 (3)	0.0353 (8)
C19	0.6844 (5)	0.9295 (4)	0.4939 (4)	0.0505 (11)
H19	0.7387	0.9869	0.5063	0.061*
C20	0.6929 (5)	0.9406 (5)	0.3842 (4)	0.0595 (13)
H20	0.7532	1.0052	0.3222	0.071*
C21	0.6119 (5)	0.8558 (5)	0.3677 (4)	0.0587 (13)
H21	0.6156	0.8615	0.2945	0.070*
C22	0.5254 (5)	0.7624 (5)	0.4611 (4)	0.0568 (12)
H22	0.4704	0.7045	0.4499	0.068*
C23	0.1773 (5)	0.4366 (4)	0.6421 (5)	0.0560 (12)
C24	0.1223 (4)	0.7706 (4)	0.6354 (4)	0.0446 (10)
C25	0.5739 (5)	0.3592 (5)	0.7190 (4)	0.0473 (10)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Cd1	0.04172 (18)	0.04043 (19)	0.03918 (19)	−0.00649 (13)	−0.01985 (14)	−0.01209 (13)
Ag1	0.0610 (3)	0.0831 (3)	0.0699 (3)	0.0058 (2)	−0.0246 (2)	−0.0300 (2)
S1	0.0546 (7)	0.0666 (8)	0.0731 (9)	0.0051 (6)	−0.0310 (6)	−0.0237 (7)
S2	0.0565 (7)	0.0618 (8)	0.0601 (7)	0.0134 (6)	−0.0275 (6)	−0.0245 (6)
S3	0.0647 (8)	0.0528 (7)	0.0564 (7)	0.0111 (6)	−0.0235 (6)	−0.0148 (6)
N1	0.0443 (19)	0.046 (2)	0.0326 (18)	−0.0096 (15)	−0.0156 (15)	−0.0100 (15)
N2	0.0344 (16)	0.0323 (17)	0.0337 (17)	−0.0058 (13)	−0.0143 (14)	−0.0105 (13)
N3	0.0363 (17)	0.0424 (19)	0.0394 (18)	−0.0107 (14)	−0.0115 (15)	−0.0115 (15)
N4	0.095 (4)	0.065 (3)	0.126 (4)	−0.002 (3)	−0.077 (4)	−0.035 (3)
N5	0.050 (2)	0.055 (2)	0.065 (3)	−0.0041 (18)	−0.025 (2)	−0.004 (2)
N6	0.059 (3)	0.065 (3)	0.088 (3)	0.015 (2)	−0.032 (2)	−0.035 (3)
C1	0.048 (2)	0.056 (3)	0.053 (3)	−0.018 (2)	−0.016 (2)	−0.014 (2)
C2	0.049 (3)	0.060 (3)	0.054 (3)	−0.017 (2)	−0.003 (2)	−0.008 (2)
C3	0.069 (3)	0.064 (3)	0.039 (3)	−0.018 (3)	−0.007 (2)	−0.009 (2)
C4	0.063 (3)	0.064 (3)	0.033 (2)	−0.021 (2)	−0.012 (2)	−0.013 (2)
C5	0.0331 (19)	0.033 (2)	0.035 (2)	−0.0038 (15)	−0.0117 (16)	−0.0111 (16)
C6	0.037 (2)	0.034 (2)	0.032 (2)	−0.0043 (16)	−0.0150 (16)	−0.0101 (16)
C7	0.038 (2)	0.041 (2)	0.031 (2)	−0.0049 (17)	−0.0113 (17)	−0.0130 (17)
C8	0.0305 (18)	0.034 (2)	0.041 (2)	0.0000 (15)	−0.0157 (17)	−0.0133 (17)
C9	0.038 (2)	0.032 (2)	0.048 (2)	−0.0030 (16)	−0.0234 (18)	−0.0136 (18)
C10	0.046 (2)	0.039 (2)	0.044 (2)	−0.0021 (18)	−0.0191 (19)	−0.0146 (19)
C11	0.059 (3)	0.043 (2)	0.049 (3)	0.002 (2)	−0.030 (2)	−0.020 (2)
C12	0.050 (2)	0.032 (2)	0.067 (3)	0.0007 (18)	−0.037 (2)	−0.015 (2)
C13	0.068 (3)	0.048 (3)	0.107 (4)	0.000 (2)	−0.054 (3)	−0.031 (3)
C14	0.037 (2)	0.048 (3)	0.065 (3)	−0.0087 (19)	−0.021 (2)	−0.011 (2)
C15	0.037 (2)	0.049 (3)	0.050 (3)	−0.0034 (18)	−0.0166 (19)	−0.019 (2)
C16	0.0336 (19)	0.033 (2)	0.038 (2)	−0.0075 (16)	−0.0108 (16)	−0.0091 (17)
C17	0.0331 (19)	0.033 (2)	0.034 (2)	0.0000 (15)	−0.0140 (16)	−0.0124 (16)
C18	0.0357 (19)	0.039 (2)	0.031 (2)	−0.0022 (16)	−0.0124 (16)	−0.0102 (17)
C19	0.060 (3)	0.047 (3)	0.042 (2)	−0.014 (2)	−0.017 (2)	−0.010 (2)
C20	0.076 (3)	0.055 (3)	0.033 (2)	−0.016 (2)	−0.011 (2)	−0.001 (2)
C21	0.076 (3)	0.069 (3)	0.030 (2)	−0.005 (3)	−0.019 (2)	−0.011 (2)
C22	0.070 (3)	0.066 (3)	0.040 (3)	−0.013 (2)	−0.026 (2)	−0.015 (2)
C23	0.051 (3)	0.036 (2)	0.089 (4)	0.000 (2)	−0.039 (3)	−0.014 (2)
C24	0.039 (2)	0.037 (2)	0.045 (2)	−0.0052 (18)	−0.002 (2)	−0.0088 (19)
C25	0.052 (3)	0.052 (3)	0.045 (2)	−0.004 (2)	−0.020 (2)	−0.021 (2)

Geometric parameters (Å, º) top

Cd1—N1	2.344 (3)	C5—C6	1.490 (5)
Cd1—N2	2.326 (3)	C6—C7	1.379 (5)
Cd1—N3	2.322 (3)	C7—C8	1.391 (5)
Cd1—N4	2.308 (4)	C7—H7	0.9300
Cd1—N5	2.312 (4)	C8—C16	1.396 (5)
Cd1—N6	2.275 (4)	C8—C9	1.477 (5)
Ag1—S1	2.707 (2)	C9—C10	1.396 (6)
Ag1—S1ⁱ	2.589 (1)	C9—C15	1.398 (5)
Ag1—S2	2.639 (1)	C10—C11	1.386 (5)
Ag1—S3ⁱⁱ	2.521 (1)	C10—H10	0.9300
S1—C23	1.642 (6)	C11—C12	1.376 (6)
S1—Ag1ⁱ	2.5885 (13)	C11—H11	0.9300
S2—C24	1.636 (5)	C12—C14	1.387 (6)
S3—C25	1.630 (5)	C12—C13	1.503 (6)
S3—Ag1ⁱⁱ	2.5206 (14)	C13—H13A	0.9600
N1—C22	1.336 (5)	C13—H13B	0.9600
N1—C18	1.345 (5)	C13—H13C	0.9600
N2—C17	1.339 (5)	C14—C15	1.375 (6)
N2—C6	1.343 (5)	C14—H14	0.9300
N3—C1	1.339 (5)	C15—H15	0.9300
N3—C5	1.351 (5)	C16—C17	1.390 (5)
N4—C23	1.153 (7)	C16—H16	0.9300
N5—C24	1.153 (5)	C17—C18	1.484 (5)
N6—C25	1.147 (6)	C18—C19	1.374 (6)
C1—C2	1.359 (6)	C19—C20	1.379 (6)
C1—H1	0.9300	C19—H19	0.9300
C2—C3	1.354 (7)	C20—C21	1.366 (6)
C2—H2	0.9300	C20—H20	0.9300
C3—C4	1.376 (6)	C21—C22	1.363 (6)
C3—H3	0.9300	C21—H21	0.9300
C4—C5	1.370 (5)	C22—H22	0.9300
C4—H4	0.9300

N6—Cd1—N4	84.66 (17)	C7—C6—C5	123.5 (3)
N6—Cd1—N5	160.41 (16)	C6—C7—C8	120.0 (3)
N4—Cd1—N5	81.73 (16)	C6—C7—H7	120.0
N6—Cd1—N3	92.25 (14)	C8—C7—H7	120.0
N4—Cd1—N3	97.42 (16)	C7—C8—C16	117.4 (3)
N5—Cd1—N3	103.41 (14)	C7—C8—C9	121.9 (3)
N6—Cd1—N2	95.23 (13)	C16—C8—C9	120.7 (3)
N4—Cd1—N2	167.09 (16)	C10—C9—C15	117.5 (3)
N5—Cd1—N2	101.17 (13)	C10—C9—C8	121.1 (3)
N3—Cd1—N2	69.67 (10)	C15—C9—C8	121.3 (4)
N6—Cd1—N1	91.04 (15)	C11—C10—C9	120.6 (4)
N4—Cd1—N1	123.62 (16)	C11—C10—H10	119.7
N5—Cd1—N1	84.88 (13)	C9—C10—H10	119.7
N3—Cd1—N1	138.95 (11)	C12—C11—C10	122.0 (4)
N2—Cd1—N1	69.28 (11)	C12—C11—H11	119.0
S3ⁱⁱ—Ag1—S1ⁱ	138.17 (5)	C10—C11—H11	119.0
S3ⁱⁱ—Ag1—S2	105.98 (4)	C11—C12—C14	117.1 (4)
S1ⁱ—Ag1—S2	90.37 (4)	C11—C12—C13	121.1 (4)
S3ⁱⁱ—Ag1—S1	108.43 (4)	C14—C12—C13	121.7 (4)
S1ⁱ—Ag1—S1	95.96 (4)	C12—C13—H13A	109.5
S2—Ag1—S1	118.55 (4)	C12—C13—H13B	109.5
C23—S1—Ag1ⁱ	114.50 (18)	H13A—C13—H13B	109.5
C23—S1—Ag1	96.64 (17)	C12—C13—H13C	109.5
Ag1ⁱ—S1—Ag1	84.04 (4)	H13A—C13—H13C	109.5
C24—S2—Ag1	99.72 (16)	H13B—C13—H13C	109.5
C25—S3—Ag1ⁱⁱ	98.82 (16)	C15—C14—C12	122.1 (4)
C22—N1—C18	118.6 (3)	C15—C14—H14	118.9
C22—N1—Cd1	122.4 (3)	C12—C14—H14	118.9
C18—N1—Cd1	118.8 (2)	C14—C15—C9	120.7 (4)
C17—N2—C6	119.9 (3)	C14—C15—H15	119.7
C17—N2—Cd1	120.1 (2)	C9—C15—H15	119.7
C6—N2—Cd1	120.0 (2)	C17—C16—C8	120.1 (3)
C1—N3—C5	118.3 (3)	C17—C16—H16	120.0
C1—N3—Cd1	122.7 (3)	C8—C16—H16	120.0
C5—N3—Cd1	119.0 (2)	N2—C17—C16	121.0 (3)
C23—N4—Cd1	134.6 (5)	N2—C17—C18	115.5 (3)
C24—N5—Cd1	140.6 (4)	C16—C17—C18	123.5 (3)
C25—N6—Cd1	172.6 (4)	N1—C18—C19	120.8 (3)
N3—C1—C2	123.3 (4)	N1—C18—C17	116.1 (3)
N3—C1—H1	118.4	C19—C18—C17	123.1 (3)
C2—C1—H1	118.4	C18—C19—C20	119.7 (4)
C3—C2—C1	118.7 (4)	C18—C19—H19	120.1
C3—C2—H2	120.6	C20—C19—H19	120.1
C1—C2—H2	120.6	C21—C20—C19	119.3 (4)
C2—C3—C4	119.1 (4)	C21—C20—H20	120.3
C2—C3—H3	120.4	C19—C20—H20	120.3
C4—C3—H3	120.4	C22—C21—C20	118.3 (4)
C5—C4—C3	120.3 (4)	C22—C21—H21	120.9
C5—C4—H4	119.9	C20—C21—H21	120.9
C3—C4—H4	119.9	N1—C22—C21	123.4 (4)
N3—C5—C4	120.3 (3)	N1—C22—H22	118.3
N3—C5—C6	116.4 (3)	C21—C22—H22	118.3
C4—C5—C6	123.3 (3)	N4—C23—S1	177.5 (5)
N2—C6—C7	121.7 (3)	N5—C24—S2	177.7 (4)
N2—C6—C5	114.8 (3)	N6—C25—S3	178.1 (5)

S3ⁱⁱ—Ag1—S1—C23	100.41 (18)	C1—N3—C5—C4	−0.8 (6)
S1ⁱ—Ag1—S1—C23	−114.05 (18)	Cd1—N3—C5—C4	−178.8 (3)
S2—Ag1—S1—C23	−20.36 (19)	C1—N3—C5—C6	179.4 (4)
S3ⁱⁱ—Ag1—S1—Ag1ⁱ	−145.53 (4)	Cd1—N3—C5—C6	1.3 (5)
S1ⁱ—Ag1—S1—Ag1ⁱ	0.0	C3—C4—C5—N3	0.4 (7)
S2—Ag1—S1—Ag1ⁱ	93.69 (5)	C3—C4—C5—C6	−179.8 (4)
S3ⁱⁱ—Ag1—S2—C24	−82.97 (15)	C17—N2—C6—C7	0.7 (6)
S1ⁱ—Ag1—S2—C24	136.05 (15)	Cd1—N2—C6—C7	177.2 (3)
S1—Ag1—S2—C24	39.05 (15)	C17—N2—C6—C5	179.8 (3)
N6—Cd1—N1—C22	87.0 (4)	Cd1—N2—C6—C5	−3.7 (4)
N4—Cd1—N1—C22	2.8 (4)	N3—C5—C6—N2	1.5 (5)
N5—Cd1—N1—C22	−73.8 (4)	C4—C5—C6—N2	−178.3 (4)
N3—Cd1—N1—C22	−178.3 (3)	N3—C5—C6—C7	−179.4 (4)
N2—Cd1—N1—C22	−177.7 (4)	C4—C5—C6—C7	0.7 (6)
N6—Cd1—N1—C18	−98.6 (3)	N2—C6—C7—C8	0.3 (6)
N4—Cd1—N1—C18	177.1 (3)	C5—C6—C7—C8	−178.7 (4)
N5—Cd1—N1—C18	100.6 (3)	C6—C7—C8—C16	−0.3 (6)
N3—Cd1—N1—C18	−4.0 (4)	C6—C7—C8—C9	178.2 (4)
N2—Cd1—N1—C18	−3.4 (3)	C7—C8—C9—C10	−27.7 (6)
N6—Cd1—N2—C17	89.3 (3)	C16—C8—C9—C10	150.8 (4)
N4—Cd1—N2—C17	178.2 (6)	C7—C8—C9—C15	156.8 (4)
N5—Cd1—N2—C17	−79.9 (3)	C16—C8—C9—C15	−24.7 (6)
N3—Cd1—N2—C17	179.7 (3)	C15—C9—C10—C11	2.2 (6)
N1—Cd1—N2—C17	0.2 (3)	C8—C9—C10—C11	−173.4 (4)
N6—Cd1—N2—C6	−87.2 (3)	C9—C10—C11—C12	−0.3 (6)
N4—Cd1—N2—C6	1.7 (8)	C10—C11—C12—C14	−1.9 (6)
N5—Cd1—N2—C6	103.6 (3)	C10—C11—C12—C13	177.9 (4)
N3—Cd1—N2—C6	3.2 (3)	C11—C12—C14—C15	2.3 (6)
N1—Cd1—N2—C6	−176.3 (3)	C13—C12—C14—C15	−177.6 (4)
N6—Cd1—N3—C1	−85.5 (4)	C12—C14—C15—C9	−0.3 (7)
N4—Cd1—N3—C1	−0.6 (4)	C10—C9—C15—C14	−1.9 (6)
N5—Cd1—N3—C1	82.6 (4)	C8—C9—C15—C14	173.7 (4)
N2—Cd1—N3—C1	179.7 (4)	C7—C8—C16—C17	−0.6 (6)
N1—Cd1—N3—C1	−179.7 (3)	C9—C8—C16—C17	−179.1 (4)
N6—Cd1—N3—C5	92.4 (3)	C6—N2—C17—C16	−1.7 (6)
N4—Cd1—N3—C5	177.3 (3)	Cd1—N2—C17—C16	−178.2 (3)
N5—Cd1—N3—C5	−99.4 (3)	C6—N2—C17—C18	179.2 (3)
N2—Cd1—N3—C5	−2.3 (3)	Cd1—N2—C17—C18	2.7 (4)
N1—Cd1—N3—C5	−1.7 (4)	C8—C16—C17—N2	1.7 (6)
N6—Cd1—N4—C23	−88.6 (6)	C8—C16—C17—C18	−179.3 (3)
N5—Cd1—N4—C23	77.3 (6)	C22—N1—C18—C19	0.3 (6)
N3—Cd1—N4—C23	179.9 (6)	Cd1—N1—C18—C19	−174.3 (3)
N2—Cd1—N4—C23	−178.7 (5)	C22—N1—C18—C17	−179.4 (4)
N1—Cd1—N4—C23	−0.9 (7)	Cd1—N1—C18—C17	6.0 (5)
N6—Cd1—N5—C24	5.1 (8)	N2—C17—C18—N1	−5.7 (5)
N4—Cd1—N5—C24	−41.3 (5)	C16—C17—C18—N1	175.3 (4)
N3—Cd1—N5—C24	−137.1 (5)	N2—C17—C18—C19	174.6 (4)
N2—Cd1—N5—C24	151.4 (5)	C16—C17—C18—C19	−4.5 (6)
N1—Cd1—N5—C24	83.7 (5)	N1—C18—C19—C20	−0.3 (7)
C5—N3—C1—C2	0.6 (7)	C17—C18—C19—C20	179.4 (4)
Cd1—N3—C1—C2	178.6 (4)	C18—C19—C20—C21	0.3 (8)
N3—C1—C2—C3	−0.1 (8)	C19—C20—C21—C22	−0.2 (8)
C1—C2—C3—C4	−0.3 (8)	C18—N1—C22—C21	−0.2 (7)
C2—C3—C4—C5	0.2 (8)	Cd1—N1—C22—C21	174.1 (4)

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

Experimental details

Crystal data
Chemical formula	[AgCd(NCS)₃(C₂₂H₁₇N₃)]
M_r	717.90
Crystal system, space group	Triclinic, P1
Temperature (K)	295
a, b, c (Å)	10.2431 (10), 10.7881 (10), 13.1180 (12)
α, β, γ (°)	73.045 (2), 69.000 (2), 88.231 (2)
V (Å³)	1290.1 (2)
Z	2
Radiation type	Mo Kα
µ (mm⁻¹)	1.85
Crystal size (mm)	0.30 × 0.30 × 0.25

Data collection
Diffractometer	Bruker SMART diffractometer
Absorption correction	Multi-scan (SADABS; Sheldrick, 1996)
T_min, T_max	0.604, 1.000
No. of measured, independent and observed [I > 2σ(I)] reflections	6870, 4432, 3910
R_int	0.018
(sin θ/λ)_max (Å⁻¹)	0.595

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.037, 0.097, 1.02
No. of reflections	4432
No. of parameters	326
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	0.75, −0.59

Computer programs: SMART (Bruker, 2003), SAINT (Bruker, 2003), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), X-SEED (Barbour, 2001), publCIF (Westrip, 2010).

Selected bond lengths (Å) top

Cd1—N1	2.344 (3)	Cd1—N6	2.275 (4)
Cd1—N2	2.326 (3)	Ag1—S1	2.707 (2)
Cd1—N3	2.322 (3)	Ag1—S1ⁱ	2.589 (1)
Cd1—N4	2.308 (4)	Ag1—S2	2.639 (1)
Cd1—N5	2.312 (4)	Ag1—S3ⁱⁱ	2.521 (1)

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

Acknowledgements

We thank the National Innovation Fund for University Students, the Chinese Ministry of Education, Nanchang University and the University of Malaya for supporting this study.

References

Barbour, L. J. (2001). J. Supramol. Chem. 1, 189–191. CrossRef CAS Google Scholar
Bruker (2003). SAINT and SMART. Bruker AXS Inc., Madison, Wisconsin, USA. Google Scholar
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany. Google Scholar
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. Web of Science CrossRef CAS IUCr Journals Google Scholar
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920–925. Web of Science CrossRef CAS IUCr Journals Google Scholar
Zhang, X., Li, D. & Zhou, X.-P. (2006). New J. Chem. 30, 706–711. Web of Science CrossRef CAS Google Scholar

This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.