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Acta Crystallogr Sect E Struct Rep Online. 2010 October 1; 66(Pt 10): m1313–m1314.
Published online 2010 September 30. doi:  10.1107/S160053681003744X
PMCID: PMC2983338

Poly[bis(μ3-thio­cyanato-κ3 N:S:S′)(μ2-thio­cyanato-κ2 N:S)(4′-p-tolyl-2,2′:6′,2′′-terpyridine-κ3 N,N′,N′′)cadmium(II)silver(I)]

Abstract

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 μ 2-bridging mode and two in a μ 3-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 [triangle]).

An external file that holds a picture, illustration, etc.
Object name is e-66-m1313-scheme1.jpg

Experimental

Crystal data

  • [AgCd(NCS)3(C22H17N3)]
  • M r = 717.90
  • Triclinic, An external file that holds a picture, illustration, etc.
Object name is e-66-m1313-efi1.jpg
  • 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 [triangle]) 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[F 2 > 2σ(F 2)] = 0.037
  • wR(F 2) = 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

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

Table 1
Selected bond lengths (Å)

Supplementary Material

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

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

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

Acknowledgments

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.

supplementary crystallographic information

Comment

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).

Experimental

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

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).

Figures

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.

Crystal data

[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

Bruker SMART diffractometer4432 independent reflections
Radiation source: fine-focus sealed tube3910 reflections with I > 2σ(I)
graphiteRint = 0.018
[var phi] and ω scansθmax = 25.0°, θmin = 2.1°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)h = −9→12
Tmin = 0.604, Tmax = 1.000k = −10→12
6870 measured reflectionsl = −14→15

Refinement

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 = 1.02w = 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

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

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)

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, °)

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—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—C6179.4 (4)
S3ii—Ag1—S1—Ag1i−145.53 (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—C6−179.8 (4)
S3ii—Ag1—S2—C24−82.97 (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—C5−3.7 (4)
N4—Cd1—N1—C222.8 (4)N3—C5—C6—N21.5 (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—C70.7 (6)
N6—Cd1—N1—C18−98.6 (3)N2—C6—C7—C80.3 (6)
N4—Cd1—N1—C18177.1 (3)C5—C6—C7—C8−178.7 (4)
N5—Cd1—N1—C18100.6 (3)C6—C7—C8—C16−0.3 (6)
N3—Cd1—N1—C18−4.0 (4)C6—C7—C8—C9178.2 (4)
N2—Cd1—N1—C18−3.4 (3)C7—C8—C9—C10−27.7 (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—C17−79.9 (3)C16—C8—C9—C15−24.7 (6)
N3—Cd1—N2—C17179.7 (3)C15—C9—C10—C112.2 (6)
N1—Cd1—N2—C170.2 (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—C61.7 (8)C10—C11—C12—C14−1.9 (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—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—C182.6 (4)C8—C9—C15—C14173.7 (4)
N2—Cd1—N3—C1179.7 (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—C592.4 (3)C6—N2—C17—C16−1.7 (6)
N4—Cd1—N3—C5177.3 (3)Cd1—N2—C17—C16−178.2 (3)
N5—Cd1—N3—C5−99.4 (3)C6—N2—C17—C18179.2 (3)
N2—Cd1—N3—C5−2.3 (3)Cd1—N2—C17—C182.7 (4)
N1—Cd1—N3—C5−1.7 (4)C8—C16—C17—N21.7 (6)
N6—Cd1—N4—C23−88.6 (6)C8—C16—C17—C18−179.3 (3)
N5—Cd1—N4—C2377.3 (6)C22—N1—C18—C190.3 (6)
N3—Cd1—N4—C23179.9 (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—C176.0 (5)
N6—Cd1—N5—C245.1 (8)N2—C17—C18—N1−5.7 (5)
N4—Cd1—N5—C24−41.3 (5)C16—C17—C18—N1175.3 (4)
N3—Cd1—N5—C24−137.1 (5)N2—C17—C18—C19174.6 (4)
N2—Cd1—N5—C24151.4 (5)C16—C17—C18—C19−4.5 (6)
N1—Cd1—N5—C2483.7 (5)N1—C18—C19—C20−0.3 (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—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—C50.2 (8)Cd1—N1—C22—C21174.1 (4)

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

Footnotes

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: NK2062).

References

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  • Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. [PubMed]
  • Westrip, S. P. (2010). J. Appl. Cryst.43, 920–925.
  • Zhang, X., Li, D. & Zhou, X.-P. (2006). New J. Chem.30, 706–711.

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