metal-organic compounds\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890
Volume 66| Part 10| October 2010| Pages m1313-m1314

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)]

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[Zhang, X., Li, D. & Zhou, X.-P. (2006). New J. Chem. 30, 706-711.]).

[Scheme 1]

Experimental

Crystal data
  • [AgCd(NCS)3(C22H17N3)]

  • Mr = 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[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.604, Tmax = 1.000

  • 6870 measured reflections

  • 4432 independent reflections

  • 3910 reflections with I > 2σ(I)

  • Rint = 0.018

Refinement
  • R[F2 > 2σ(F2)] = 0.037

  • wR(F2) = 0.097

  • S = 1.02

  • 4432 reflections

  • 326 parameters

  • H-atom parameters constrained

  • Δρmax = 0.75 e Å−3

  • Δρmin = −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[Bruker (2003). SAINT and SMART. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2003[Bruker (2003). SAINT and SMART. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: X-SEED (Barbour, 2001[Barbour, L. J. (2001). J. Supramol. Chem. 1, 189-191.]); software used to prepare material for publication: publCIF (Westrip, 2010[Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.]).

Supporting information


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).

Refinement top

Carbon-bound H-atoms were placed in calculated positions (C—H 0.93 to 0.96 Å) and were included in the refinement in the riding model approximation, with U(H) set to 1.2 to 1.5U(C).

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
[Figure 1] 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.
[Figure 2] 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
Mr = 717.90F(000) = 704
Triclinic, P1Dx = 1.848 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 10.2431 (10) ÅCell parameters from 2780 reflections
b = 10.7881 (10) Åθ = 2.7–25.0°
c = 13.1180 (12) ŵ = 1.85 mm1
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 tube3910 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.018
ϕ and ω scansθmax = 25.0°, θmin = 2.1°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 912
Tmin = 0.604, Tmax = 1.000k = 1012
6870 measured reflectionsl = 1415
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.037Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.097H-atom parameters constrained
S = 1.02 w = 1/[σ2(Fo2) + (0.0548P)2 + 0.5516P]
where P = (Fo2 + 2Fc2)/3
4432 reflections(Δ/σ)max = 0.001
326 parametersΔρmax = 0.75 e Å3
0 restraintsΔρmin = 0.59 e Å3
Crystal data top
[AgCd(NCS)3(C22H17N3)]γ = 88.231 (2)°
Mr = 717.90V = 1290.1 (2) Å3
Triclinic, P1Z = 2
a = 10.2431 (10) ÅMo Kα radiation
b = 10.7881 (10) ŵ = 1.85 mm1
c = 13.1180 (12) ÅT = 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)
Tmin = 0.604, Tmax = 1.000Rint = 0.018
6870 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0370 restraints
wR(F2) = 0.097H-atom parameters constrained
S = 1.02Δρmax = 0.75 e Å3
4432 reflectionsΔρmin = 0.59 e Å3
326 parameters
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Cd10.35097 (3)0.60113 (3)0.72815 (2)0.03873 (12)
Ag10.10392 (4)0.65042 (5)0.43358 (4)0.06953 (15)
S10.15459 (13)0.40610 (14)0.53373 (12)0.0620 (3)
S20.02307 (13)0.81055 (13)0.55890 (11)0.0564 (3)
S30.67482 (14)0.24010 (13)0.73061 (11)0.0581 (3)
N10.5157 (3)0.7499 (3)0.5680 (3)0.0406 (8)
N20.4812 (3)0.7228 (3)0.7841 (3)0.0326 (7)
N30.2798 (3)0.5376 (3)0.9263 (3)0.0399 (8)
N40.1985 (5)0.4575 (5)0.7163 (5)0.0832 (15)
N50.1895 (4)0.7448 (4)0.6917 (4)0.0584 (10)
N60.5008 (4)0.4416 (4)0.7139 (4)0.0665 (12)
C10.1772 (5)0.4438 (5)0.9948 (4)0.0532 (11)
H10.13150.40410.96130.064*
C20.1365 (5)0.4039 (5)1.1107 (4)0.0603 (13)
H20.06460.33851.15530.072*
C30.2025 (5)0.4612 (5)1.1601 (4)0.0620 (13)
H30.17630.43601.23930.074*
C40.3089 (5)0.5572 (5)1.0916 (4)0.0545 (12)
H40.35530.59701.12460.065*
C50.3470 (4)0.5943 (4)0.9750 (3)0.0337 (8)
C60.4614 (4)0.6971 (4)0.8953 (3)0.0337 (8)
C70.5406 (4)0.7635 (4)0.9314 (3)0.0363 (9)
H70.52510.74361.00890.044*
C80.6438 (4)0.8600 (4)0.8517 (3)0.0340 (8)
C90.7284 (4)0.9362 (4)0.8865 (3)0.0369 (9)
C100.6754 (4)0.9573 (4)0.9935 (3)0.0415 (9)
H100.58960.91571.04690.050*
C110.7497 (5)1.0396 (4)1.0209 (4)0.0459 (10)
H110.71201.05241.09260.055*
C120.8775 (4)1.1029 (4)0.9452 (4)0.0447 (10)
C130.9541 (5)1.1953 (5)0.9751 (5)0.0663 (14)
H13A0.97491.27800.91690.099*
H13B1.03991.16090.98010.099*
H13C0.89631.20601.04750.099*
C140.9318 (4)1.0779 (4)0.8406 (4)0.0503 (11)
H141.01951.11700.78890.060*
C150.8601 (4)0.9973 (4)0.8109 (4)0.0440 (10)
H150.89970.98320.73980.053*
C160.6626 (4)0.8850 (4)0.7365 (3)0.0355 (8)
H160.72990.94950.68070.043*
C170.5810 (4)0.8137 (4)0.7051 (3)0.0323 (8)
C180.5954 (4)0.8332 (4)0.5847 (3)0.0353 (8)
C190.6844 (5)0.9295 (4)0.4939 (4)0.0505 (11)
H190.73870.98690.50630.061*
C200.6929 (5)0.9406 (5)0.3842 (4)0.0595 (13)
H200.75321.00520.32220.071*
C210.6119 (5)0.8558 (5)0.3677 (4)0.0587 (13)
H210.61560.86150.29450.070*
C220.5254 (5)0.7624 (5)0.4611 (4)0.0568 (12)
H220.47040.70450.44990.068*
C230.1773 (5)0.4366 (4)0.6421 (5)0.0560 (12)
C240.1223 (4)0.7706 (4)0.6354 (4)0.0446 (10)
C250.5739 (5)0.3592 (5)0.7190 (4)0.0473 (10)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cd10.04172 (18)0.04043 (19)0.03918 (19)0.00649 (13)0.01985 (14)0.01209 (13)
Ag10.0610 (3)0.0831 (3)0.0699 (3)0.0058 (2)0.0246 (2)0.0300 (2)
S10.0546 (7)0.0666 (8)0.0731 (9)0.0051 (6)0.0310 (6)0.0237 (7)
S20.0565 (7)0.0618 (8)0.0601 (7)0.0134 (6)0.0275 (6)0.0245 (6)
S30.0647 (8)0.0528 (7)0.0564 (7)0.0111 (6)0.0235 (6)0.0148 (6)
N10.0443 (19)0.046 (2)0.0326 (18)0.0096 (15)0.0156 (15)0.0100 (15)
N20.0344 (16)0.0323 (17)0.0337 (17)0.0058 (13)0.0143 (14)0.0105 (13)
N30.0363 (17)0.0424 (19)0.0394 (18)0.0107 (14)0.0115 (15)0.0115 (15)
N40.095 (4)0.065 (3)0.126 (4)0.002 (3)0.077 (4)0.035 (3)
N50.050 (2)0.055 (2)0.065 (3)0.0041 (18)0.025 (2)0.004 (2)
N60.059 (3)0.065 (3)0.088 (3)0.015 (2)0.032 (2)0.035 (3)
C10.048 (2)0.056 (3)0.053 (3)0.018 (2)0.016 (2)0.014 (2)
C20.049 (3)0.060 (3)0.054 (3)0.017 (2)0.003 (2)0.008 (2)
C30.069 (3)0.064 (3)0.039 (3)0.018 (3)0.007 (2)0.009 (2)
C40.063 (3)0.064 (3)0.033 (2)0.021 (2)0.012 (2)0.013 (2)
C50.0331 (19)0.033 (2)0.035 (2)0.0038 (15)0.0117 (16)0.0111 (16)
C60.037 (2)0.034 (2)0.032 (2)0.0043 (16)0.0150 (16)0.0101 (16)
C70.038 (2)0.041 (2)0.031 (2)0.0049 (17)0.0113 (17)0.0130 (17)
C80.0305 (18)0.034 (2)0.041 (2)0.0000 (15)0.0157 (17)0.0133 (17)
C90.038 (2)0.032 (2)0.048 (2)0.0030 (16)0.0234 (18)0.0136 (18)
C100.046 (2)0.039 (2)0.044 (2)0.0021 (18)0.0191 (19)0.0146 (19)
C110.059 (3)0.043 (2)0.049 (3)0.002 (2)0.030 (2)0.020 (2)
C120.050 (2)0.032 (2)0.067 (3)0.0007 (18)0.037 (2)0.015 (2)
C130.068 (3)0.048 (3)0.107 (4)0.000 (2)0.054 (3)0.031 (3)
C140.037 (2)0.048 (3)0.065 (3)0.0087 (19)0.021 (2)0.011 (2)
C150.037 (2)0.049 (3)0.050 (3)0.0034 (18)0.0166 (19)0.019 (2)
C160.0336 (19)0.033 (2)0.038 (2)0.0075 (16)0.0108 (16)0.0091 (17)
C170.0331 (19)0.033 (2)0.034 (2)0.0000 (15)0.0140 (16)0.0124 (16)
C180.0357 (19)0.039 (2)0.031 (2)0.0022 (16)0.0124 (16)0.0102 (17)
C190.060 (3)0.047 (3)0.042 (2)0.014 (2)0.017 (2)0.010 (2)
C200.076 (3)0.055 (3)0.033 (2)0.016 (2)0.011 (2)0.001 (2)
C210.076 (3)0.069 (3)0.030 (2)0.005 (3)0.019 (2)0.011 (2)
C220.070 (3)0.066 (3)0.040 (3)0.013 (2)0.026 (2)0.015 (2)
C230.051 (3)0.036 (2)0.089 (4)0.000 (2)0.039 (3)0.014 (2)
C240.039 (2)0.037 (2)0.045 (2)0.0052 (18)0.002 (2)0.0088 (19)
C250.052 (3)0.052 (3)0.045 (2)0.004 (2)0.020 (2)0.021 (2)
Geometric parameters (Å, º) top
Cd1—N12.344 (3)C5—C61.490 (5)
Cd1—N22.326 (3)C6—C71.379 (5)
Cd1—N32.322 (3)C7—C81.391 (5)
Cd1—N42.308 (4)C7—H70.9300
Cd1—N52.312 (4)C8—C161.396 (5)
Cd1—N62.275 (4)C8—C91.477 (5)
Ag1—S12.707 (2)C9—C101.396 (6)
Ag1—S1i2.589 (1)C9—C151.398 (5)
Ag1—S22.639 (1)C10—C111.386 (5)
Ag1—S3ii2.521 (1)C10—H100.9300
S1—C231.642 (6)C11—C121.376 (6)
S1—Ag1i2.5885 (13)C11—H110.9300
S2—C241.636 (5)C12—C141.387 (6)
S3—C251.630 (5)C12—C131.503 (6)
S3—Ag1ii2.5206 (14)C13—H13A0.9600
N1—C221.336 (5)C13—H13B0.9600
N1—C181.345 (5)C13—H13C0.9600
N2—C171.339 (5)C14—C151.375 (6)
N2—C61.343 (5)C14—H140.9300
N3—C11.339 (5)C15—H150.9300
N3—C51.351 (5)C16—C171.390 (5)
N4—C231.153 (7)C16—H160.9300
N5—C241.153 (5)C17—C181.484 (5)
N6—C251.147 (6)C18—C191.374 (6)
C1—C21.359 (6)C19—C201.379 (6)
C1—H10.9300C19—H190.9300
C2—C31.354 (7)C20—C211.366 (6)
C2—H20.9300C20—H200.9300
C3—C41.376 (6)C21—C221.363 (6)
C3—H30.9300C21—H210.9300
C4—C51.370 (5)C22—H220.9300
C4—H40.9300
N6—Cd1—N484.66 (17)C7—C6—C5123.5 (3)
N6—Cd1—N5160.41 (16)C6—C7—C8120.0 (3)
N4—Cd1—N581.73 (16)C6—C7—H7120.0
N6—Cd1—N392.25 (14)C8—C7—H7120.0
N4—Cd1—N397.42 (16)C7—C8—C16117.4 (3)
N5—Cd1—N3103.41 (14)C7—C8—C9121.9 (3)
N6—Cd1—N295.23 (13)C16—C8—C9120.7 (3)
N4—Cd1—N2167.09 (16)C10—C9—C15117.5 (3)
N5—Cd1—N2101.17 (13)C10—C9—C8121.1 (3)
N3—Cd1—N269.67 (10)C15—C9—C8121.3 (4)
N6—Cd1—N191.04 (15)C11—C10—C9120.6 (4)
N4—Cd1—N1123.62 (16)C11—C10—H10119.7
N5—Cd1—N184.88 (13)C9—C10—H10119.7
N3—Cd1—N1138.95 (11)C12—C11—C10122.0 (4)
N2—Cd1—N169.28 (11)C12—C11—H11119.0
S3ii—Ag1—S1i138.17 (5)C10—C11—H11119.0
S3ii—Ag1—S2105.98 (4)C11—C12—C14117.1 (4)
S1i—Ag1—S290.37 (4)C11—C12—C13121.1 (4)
S3ii—Ag1—S1108.43 (4)C14—C12—C13121.7 (4)
S1i—Ag1—S195.96 (4)C12—C13—H13A109.5
S2—Ag1—S1118.55 (4)C12—C13—H13B109.5
C23—S1—Ag1i114.50 (18)H13A—C13—H13B109.5
C23—S1—Ag196.64 (17)C12—C13—H13C109.5
Ag1i—S1—Ag184.04 (4)H13A—C13—H13C109.5
C24—S2—Ag199.72 (16)H13B—C13—H13C109.5
C25—S3—Ag1ii98.82 (16)C15—C14—C12122.1 (4)
C22—N1—C18118.6 (3)C15—C14—H14118.9
C22—N1—Cd1122.4 (3)C12—C14—H14118.9
C18—N1—Cd1118.8 (2)C14—C15—C9120.7 (4)
C17—N2—C6119.9 (3)C14—C15—H15119.7
C17—N2—Cd1120.1 (2)C9—C15—H15119.7
C6—N2—Cd1120.0 (2)C17—C16—C8120.1 (3)
C1—N3—C5118.3 (3)C17—C16—H16120.0
C1—N3—Cd1122.7 (3)C8—C16—H16120.0
C5—N3—Cd1119.0 (2)N2—C17—C16121.0 (3)
C23—N4—Cd1134.6 (5)N2—C17—C18115.5 (3)
C24—N5—Cd1140.6 (4)C16—C17—C18123.5 (3)
C25—N6—Cd1172.6 (4)N1—C18—C19120.8 (3)
N3—C1—C2123.3 (4)N1—C18—C17116.1 (3)
N3—C1—H1118.4C19—C18—C17123.1 (3)
C2—C1—H1118.4C18—C19—C20119.7 (4)
C3—C2—C1118.7 (4)C18—C19—H19120.1
C3—C2—H2120.6C20—C19—H19120.1
C1—C2—H2120.6C21—C20—C19119.3 (4)
C2—C3—C4119.1 (4)C21—C20—H20120.3
C2—C3—H3120.4C19—C20—H20120.3
C4—C3—H3120.4C22—C21—C20118.3 (4)
C5—C4—C3120.3 (4)C22—C21—H21120.9
C5—C4—H4119.9C20—C21—H21120.9
C3—C4—H4119.9N1—C22—C21123.4 (4)
N3—C5—C4120.3 (3)N1—C22—H22118.3
N3—C5—C6116.4 (3)C21—C22—H22118.3
C4—C5—C6123.3 (3)N4—C23—S1177.5 (5)
N2—C6—C7121.7 (3)N5—C24—S2177.7 (4)
N2—C6—C5114.8 (3)N6—C25—S3178.1 (5)
S3ii—Ag1—S1—C23100.41 (18)C1—N3—C5—C40.8 (6)
S1i—Ag1—S1—C23114.05 (18)Cd1—N3—C5—C4178.8 (3)
S2—Ag1—S1—C2320.36 (19)C1—N3—C5—C6179.4 (4)
S3ii—Ag1—S1—Ag1i145.53 (4)Cd1—N3—C5—C61.3 (5)
S1i—Ag1—S1—Ag1i0.0C3—C4—C5—N30.4 (7)
S2—Ag1—S1—Ag1i93.69 (5)C3—C4—C5—C6179.8 (4)
S3ii—Ag1—S2—C2482.97 (15)C17—N2—C6—C70.7 (6)
S1i—Ag1—S2—C24136.05 (15)Cd1—N2—C6—C7177.2 (3)
S1—Ag1—S2—C2439.05 (15)C17—N2—C6—C5179.8 (3)
N6—Cd1—N1—C2287.0 (4)Cd1—N2—C6—C53.7 (4)
N4—Cd1—N1—C222.8 (4)N3—C5—C6—N21.5 (5)
N5—Cd1—N1—C2273.8 (4)C4—C5—C6—N2178.3 (4)
N3—Cd1—N1—C22178.3 (3)N3—C5—C6—C7179.4 (4)
N2—Cd1—N1—C22177.7 (4)C4—C5—C6—C70.7 (6)
N6—Cd1—N1—C1898.6 (3)N2—C6—C7—C80.3 (6)
N4—Cd1—N1—C18177.1 (3)C5—C6—C7—C8178.7 (4)
N5—Cd1—N1—C18100.6 (3)C6—C7—C8—C160.3 (6)
N3—Cd1—N1—C184.0 (4)C6—C7—C8—C9178.2 (4)
N2—Cd1—N1—C183.4 (3)C7—C8—C9—C1027.7 (6)
N6—Cd1—N2—C1789.3 (3)C16—C8—C9—C10150.8 (4)
N4—Cd1—N2—C17178.2 (6)C7—C8—C9—C15156.8 (4)
N5—Cd1—N2—C1779.9 (3)C16—C8—C9—C1524.7 (6)
N3—Cd1—N2—C17179.7 (3)C15—C9—C10—C112.2 (6)
N1—Cd1—N2—C170.2 (3)C8—C9—C10—C11173.4 (4)
N6—Cd1—N2—C687.2 (3)C9—C10—C11—C120.3 (6)
N4—Cd1—N2—C61.7 (8)C10—C11—C12—C141.9 (6)
N5—Cd1—N2—C6103.6 (3)C10—C11—C12—C13177.9 (4)
N3—Cd1—N2—C63.2 (3)C11—C12—C14—C152.3 (6)
N1—Cd1—N2—C6176.3 (3)C13—C12—C14—C15177.6 (4)
N6—Cd1—N3—C185.5 (4)C12—C14—C15—C90.3 (7)
N4—Cd1—N3—C10.6 (4)C10—C9—C15—C141.9 (6)
N5—Cd1—N3—C182.6 (4)C8—C9—C15—C14173.7 (4)
N2—Cd1—N3—C1179.7 (4)C7—C8—C16—C170.6 (6)
N1—Cd1—N3—C1179.7 (3)C9—C8—C16—C17179.1 (4)
N6—Cd1—N3—C592.4 (3)C6—N2—C17—C161.7 (6)
N4—Cd1—N3—C5177.3 (3)Cd1—N2—C17—C16178.2 (3)
N5—Cd1—N3—C599.4 (3)C6—N2—C17—C18179.2 (3)
N2—Cd1—N3—C52.3 (3)Cd1—N2—C17—C182.7 (4)
N1—Cd1—N3—C51.7 (4)C8—C16—C17—N21.7 (6)
N6—Cd1—N4—C2388.6 (6)C8—C16—C17—C18179.3 (3)
N5—Cd1—N4—C2377.3 (6)C22—N1—C18—C190.3 (6)
N3—Cd1—N4—C23179.9 (6)Cd1—N1—C18—C19174.3 (3)
N2—Cd1—N4—C23178.7 (5)C22—N1—C18—C17179.4 (4)
N1—Cd1—N4—C230.9 (7)Cd1—N1—C18—C176.0 (5)
N6—Cd1—N5—C245.1 (8)N2—C17—C18—N15.7 (5)
N4—Cd1—N5—C2441.3 (5)C16—C17—C18—N1175.3 (4)
N3—Cd1—N5—C24137.1 (5)N2—C17—C18—C19174.6 (4)
N2—Cd1—N5—C24151.4 (5)C16—C17—C18—C194.5 (6)
N1—Cd1—N5—C2483.7 (5)N1—C18—C19—C200.3 (7)
C5—N3—C1—C20.6 (7)C17—C18—C19—C20179.4 (4)
Cd1—N3—C1—C2178.6 (4)C18—C19—C20—C210.3 (8)
N3—C1—C2—C30.1 (8)C19—C20—C21—C220.2 (8)
C1—C2—C3—C40.3 (8)C18—N1—C22—C210.2 (7)
C2—C3—C4—C50.2 (8)Cd1—N1—C22—C21174.1 (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)]
Mr717.90
Crystal system, space groupTriclinic, 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)
V3)1290.1 (2)
Z2
Radiation typeMo Kα
µ (mm1)1.85
Crystal size (mm)0.30 × 0.30 × 0.25
Data collection
DiffractometerBruker SMART
diffractometer
Absorption correctionMulti-scan
(SADABS; Sheldrick, 1996)
Tmin, Tmax0.604, 1.000
No. of measured, independent and
observed [I > 2σ(I)] reflections
6870, 4432, 3910
Rint0.018
(sin θ/λ)max1)0.595
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.037, 0.097, 1.02
No. of reflections4432
No. of parameters326
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)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—N12.344 (3)Cd1—N62.275 (4)
Cd1—N22.326 (3)Ag1—S12.707 (2)
Cd1—N32.322 (3)Ag1—S1i2.589 (1)
Cd1—N42.308 (4)Ag1—S22.639 (1)
Cd1—N52.312 (4)Ag1—S3ii2.521 (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

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

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