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Acta Crystallogr Sect E Struct Rep Online. 2009 November 1; 65(Pt 11): m1364.
Published online 2009 October 17. doi:  10.1107/S1600536809041294
PMCID: PMC2971268

(2,2′-Bipyridine-κ2 N,N′)bis­(N-ethyl-N-phenyl­dithio­carbamato-κ2 S,S′)cadmium(II) chloro­form solvate

Abstract

In the title compound, [Cd(C9H10NS2)2(C10H8N2)]·CHCl3, the CdII atom exists in an all-cis distorted octa­hedral geometry. Chelation is isobidentate for one dithio­carbamate ligand and anisobidentate for the other. The chloroform solvent mol­ecule is disordered over two positions of equal occupancy.

Related literature

For the crystal structures of other cadmium dithio­carbamate–2,2′-bipyridine adducts, see: Airoldi et al. (1990 [triangle]); Deng et al. (2007 [triangle]); Ivanchenko et al. (2000 [triangle]).

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Object name is e-65-m1364-scheme1.jpg

Experimental

Crystal data

  • [Cd(C9H10NS2)2(C10H8N2)]·CHCl3
  • M r = 780.55
  • Monoclinic, An external file that holds a picture, illustration, etc.
Object name is e-65-m1364-efi1.jpg
  • a = 7.1911 (6) Å
  • b = 27.752 (3) Å
  • c = 17.1907 (16) Å
  • β = 99.620 (5)°
  • V = 3382.5 (6) Å3
  • Z = 4
  • Mo Kα radiation
  • μ = 1.16 mm−1
  • T = 293 K
  • 0.23 × 0.06 × 0.01 mm

Data collection

  • Bruker SMART APEX diffractometer
  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996 [triangle]) T min = 0.777, T max = 0.989
  • 18956 measured reflections
  • 5964 independent reflections
  • 4307 reflections with I > 2σ(I)
  • R int = 0.056

Refinement

  • R[F 2 > 2σ(F 2)] = 0.070
  • wR(F 2) = 0.170
  • S = 1.31
  • 5964 reflections
  • 358 parameters
  • 76 restraints
  • H-atom parameters constrained
  • Δρmax = 0.85 e Å−3
  • Δρmin = −0.72 e Å−3

Data collection: SMART (Bruker, 2000 [triangle]); cell refinement: SAINT (Bruker, 2000 [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, 2009 [triangle]).

Supplementary Material

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536809041294/xu2633sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809041294/xu2633Isup2.hkl

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

Acknowledgments

We thank Universiti Kebangsaan Malaysia (UKM-GUP-NBT-08–27-111 and 06–01-02-SF0539) and the University of Malaya for supporting this study.

supplementary crystallographic information

Experimental

Ethylphenylamine (20 mmol) and carbon disulfide (20 mmol) were dissolved in ethanol (50 ml) at 277 K. Calcium chloride (10 mmol) and 2,2'-bipyridine (10 mmol) dissolved in ethanol (50 mmol) was then added. The white solid that precipitated was collected and recrystallized from an ethanol-chloroform mixture.

Refinement

As there is some disorder in the ethyl chains of both dithiocarbamate ligands, the C–N distances were tightly restrained to 1.450±0.005 Å and the C–C distances to 1.500±0.005 Å. The chloforom molecule is disordered over two positions; the occupancies were fixed as 0.5 for both components. The six C–Cl distances were restrained to within 0.01 Å of each other as were the Cl···Cl distances. The anisotropic temperature factors of the disordered atoms were restrained to be nearly isotropic.

The phenyl rings were refined as rigid hexagons of 1.39 ° sides.

Carbon-bound H-atoms were placed in calculated positions (C—H 0.93 to 0.97 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.
Thermal ellipsoid plot (Barbour, 2001) of Cd(C10H8N2)(C9H10NS2)2.CHCl3 at the 50% probability level. Hydrogen atoms are drawn as spheres of arbitrary radius. The disorder is not shown.

Crystal data

[Cd(C9H10NS2)2(C10H8N2)]·CHCl3F(000) = 1576
Mr = 780.55Dx = 1.533 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 2492 reflections
a = 7.1911 (6) Åθ = 2.5–20.1°
b = 27.752 (3) ŵ = 1.16 mm1
c = 17.1907 (16) ÅT = 293 K
β = 99.620 (5)°Plate, yellow
V = 3382.5 (6) Å30.23 × 0.06 × 0.01 mm
Z = 4

Data collection

Bruker SMART APEX diffractometer5964 independent reflections
Radiation source: fine-focus sealed tube4307 reflections with I > 2σ(I)
graphiteRint = 0.056
Detector resolution: 8.33 pixels mm-1θmax = 25.0°, θmin = 1.4°
[var phi] and ω scansh = −8→8
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)k = −27→33
Tmin = 0.777, Tmax = 0.989l = −20→20
18956 measured reflections

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)] = 0.070Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.170H-atom parameters constrained
S = 1.31w = 1/[σ2(Fo2) + (0.05P)2 + 5.0P] where P = (Fo2 + 2Fc2)/3
5964 reflections(Δ/σ)max = 0.001
358 parametersΔρmax = 0.85 e Å3
76 restraintsΔρmin = −0.72 e Å3

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

xyzUiso*/UeqOcc. (<1)
Cd10.64381 (8)0.753688 (19)0.52186 (3)0.0473 (2)
Cl10.484 (3)0.6172 (12)0.3411 (19)0.163 (3)0.50
Cl20.3864 (15)0.5394 (4)0.4309 (8)0.201 (4)0.50
Cl30.7627 (15)0.5707 (5)0.4502 (9)0.219 (4)0.50
Cl1'0.479 (3)0.6169 (12)0.3297 (19)0.163 (3)0.50
Cl2'0.2584 (15)0.5496 (5)0.3957 (8)0.201 (4)0.50
Cl3'0.6405 (16)0.5623 (5)0.4624 (9)0.219 (4)0.50
S10.6020 (3)0.84105 (7)0.57280 (13)0.0553 (5)
S20.9794 (3)0.80367 (8)0.55465 (14)0.0620 (6)
S30.3644 (3)0.69545 (9)0.55197 (13)0.0648 (6)
S40.7601 (3)0.68697 (8)0.63055 (13)0.0603 (6)
N10.9189 (8)0.8918 (2)0.6032 (5)0.069 (2)
N20.4809 (7)0.6337 (2)0.6669 (4)0.0562 (17)
N30.7617 (8)0.7162 (2)0.4173 (3)0.0520 (16)
N40.4490 (8)0.7698 (2)0.3965 (3)0.0485 (15)
C10.8430 (10)0.8488 (3)0.5790 (4)0.0511 (19)
C21.1238 (10)0.8984 (4)0.6258 (9)0.142 (6)
H2A1.15320.91720.67380.170*
H2B1.18760.86750.63370.170*
C31.179 (2)0.9245 (6)0.5578 (9)0.190 (8)
H3A1.31260.93060.56800.285*
H3B1.11260.95460.55050.285*
H3C1.14860.90530.51100.285*
C40.8064 (7)0.93085 (18)0.6236 (4)0.066 (2)
C50.7457 (9)0.9666 (2)0.5687 (3)0.082 (3)
H50.76980.96390.51730.098*
C60.6491 (8)1.0065 (2)0.5904 (5)0.089 (3)
H60.60851.03040.55360.107*
C70.6131 (8)1.0105 (2)0.6671 (5)0.096 (4)
H70.54841.03720.68160.115*
C80.6738 (10)0.9748 (3)0.7220 (4)0.106 (4)
H80.64970.97750.77340.127*
C90.7704 (9)0.9349 (2)0.7003 (4)0.092 (3)
H90.81100.91100.73710.110*
C100.5316 (9)0.6685 (3)0.6205 (4)0.0444 (17)
C110.2868 (9)0.6185 (3)0.6667 (5)0.074 (3)
H11A0.20240.64490.64860.089*
H11B0.27070.61050.72010.089*
C120.2348 (17)0.5758 (3)0.6147 (7)0.109 (4)
H12A0.10660.56680.61630.164*
H12B0.31680.54930.63280.164*
H12C0.24770.58370.56150.164*
C130.6215 (7)0.61172 (18)0.7254 (3)0.0520 (19)
C140.6465 (8)0.62834 (18)0.8028 (3)0.065 (2)
H140.57520.65410.81600.078*
C150.7781 (9)0.6064 (2)0.8604 (3)0.084 (3)
H150.79480.61750.91210.101*
C160.8846 (8)0.5679 (2)0.8406 (4)0.093 (3)
H160.97260.55320.87920.112*
C170.8596 (8)0.5513 (2)0.7633 (4)0.090 (3)
H170.93090.52550.75010.108*
C180.7281 (9)0.5732 (2)0.7057 (3)0.076 (3)
H180.71140.56210.65400.092*
C190.9258 (11)0.6929 (3)0.4302 (5)0.071 (3)
H190.98290.68730.48210.085*
C201.0139 (13)0.6769 (4)0.3707 (6)0.082 (3)
H201.12800.66050.38220.098*
C210.9331 (13)0.6851 (3)0.2945 (6)0.073 (3)
H210.99200.67520.25300.088*
C220.7648 (13)0.7082 (3)0.2806 (5)0.067 (2)
H220.70580.71360.22900.080*
C230.6803 (10)0.7236 (3)0.3425 (4)0.0488 (18)
C240.4952 (10)0.7492 (3)0.3318 (4)0.0512 (18)
C250.3768 (12)0.7501 (3)0.2588 (5)0.064 (2)
H250.41170.73500.21510.077*
C260.2083 (14)0.7738 (4)0.2528 (6)0.080 (3)
H260.12690.77510.20480.096*
C270.1606 (12)0.7954 (4)0.3178 (7)0.081 (3)
H270.04600.81140.31490.098*
C280.2842 (11)0.7932 (3)0.3876 (5)0.063 (2)
H280.25180.80890.43120.076*
C290.5297 (17)0.5900 (6)0.4329 (14)0.117 (6)0.50
H290.50590.61250.47410.141*0.50
C29'0.4379 (19)0.5918 (6)0.4173 (13)0.117 (6)0.50
H29'0.40210.61680.45220.141*0.50

Atomic displacement parameters (Å2)

U11U22U33U12U13U23
Cd10.0559 (3)0.0480 (3)0.0360 (3)−0.0026 (3)0.0020 (2)−0.0005 (3)
Cl10.184 (4)0.141 (3)0.178 (6)−0.006 (3)0.071 (3)−0.005 (4)
Cl20.221 (7)0.174 (5)0.217 (7)−0.039 (6)0.063 (6)0.007 (5)
Cl30.225 (7)0.212 (6)0.208 (6)0.018 (6)0.000 (6)−0.007 (5)
Cl1'0.184 (4)0.141 (3)0.178 (6)−0.006 (3)0.071 (3)−0.005 (4)
Cl2'0.221 (7)0.174 (5)0.217 (7)−0.039 (6)0.063 (6)0.007 (5)
Cl3'0.225 (7)0.212 (6)0.208 (6)0.018 (6)0.000 (6)−0.007 (5)
S10.0463 (10)0.0549 (12)0.0626 (13)−0.0009 (9)0.0029 (9)−0.0126 (10)
S20.0562 (12)0.0569 (12)0.0749 (15)0.0013 (10)0.0168 (11)−0.0120 (11)
S30.0468 (11)0.0820 (15)0.0588 (13)−0.0022 (11)−0.0107 (10)0.0217 (11)
S40.0455 (10)0.0728 (14)0.0572 (13)−0.0096 (10)−0.0072 (9)0.0204 (11)
N10.041 (4)0.056 (4)0.113 (6)−0.005 (3)0.017 (4)−0.025 (4)
N20.044 (3)0.064 (4)0.056 (4)−0.005 (3)−0.002 (3)0.013 (3)
N30.050 (4)0.065 (4)0.037 (4)0.001 (3)−0.003 (3)−0.010 (3)
N40.049 (3)0.055 (4)0.039 (4)0.002 (3)0.001 (3)0.004 (3)
C10.055 (4)0.054 (5)0.044 (4)−0.004 (4)0.006 (4)−0.008 (4)
C20.138 (12)0.066 (7)0.254 (19)−0.006 (7)0.127 (13)−0.033 (9)
C30.109 (11)0.182 (18)0.27 (2)0.035 (12)0.010 (14)−0.054 (17)
C40.051 (5)0.059 (5)0.086 (7)−0.016 (4)0.004 (5)−0.019 (5)
C50.066 (6)0.079 (7)0.095 (8)0.006 (5)−0.005 (5)−0.028 (6)
C60.061 (6)0.075 (7)0.120 (10)0.003 (5)−0.017 (6)−0.030 (6)
C70.073 (6)0.061 (6)0.154 (12)−0.008 (5)0.018 (7)−0.039 (7)
C80.114 (9)0.077 (8)0.136 (11)−0.005 (7)0.050 (8)−0.044 (8)
C90.101 (8)0.059 (6)0.123 (10)−0.005 (6)0.039 (7)−0.008 (6)
C100.044 (4)0.054 (4)0.032 (4)0.000 (3)−0.002 (3)0.000 (3)
C110.064 (5)0.080 (6)0.076 (7)−0.003 (5)0.006 (5)0.014 (5)
C120.114 (9)0.097 (8)0.114 (10)−0.028 (7)0.012 (8)−0.003 (7)
C130.055 (4)0.046 (4)0.057 (5)−0.001 (4)0.013 (4)0.012 (4)
C140.082 (6)0.052 (5)0.058 (5)0.003 (4)−0.001 (5)0.003 (4)
C150.098 (7)0.085 (7)0.060 (6)−0.011 (6)−0.013 (5)0.012 (5)
C160.079 (7)0.103 (8)0.092 (8)0.018 (6)−0.004 (6)0.038 (7)
C170.073 (6)0.096 (8)0.102 (8)0.038 (6)0.017 (6)0.032 (7)
C180.088 (6)0.087 (7)0.058 (6)0.022 (6)0.023 (5)0.010 (5)
C190.056 (5)0.099 (7)0.054 (5)0.018 (5)−0.005 (4)−0.009 (5)
C200.058 (5)0.094 (7)0.091 (8)0.021 (5)0.005 (5)−0.021 (6)
C210.070 (6)0.085 (7)0.066 (6)−0.008 (5)0.017 (5)−0.026 (5)
C220.085 (6)0.075 (6)0.040 (5)−0.006 (5)0.008 (4)−0.005 (4)
C230.053 (4)0.052 (4)0.039 (4)−0.013 (4)−0.001 (4)−0.004 (3)
C240.057 (4)0.048 (4)0.047 (4)−0.013 (4)0.006 (4)0.009 (4)
C250.067 (5)0.068 (5)0.050 (5)−0.005 (5)−0.013 (4)0.007 (4)
C260.069 (6)0.094 (7)0.068 (7)−0.010 (6)−0.018 (5)0.013 (6)
C270.046 (5)0.084 (7)0.108 (9)0.008 (5)−0.005 (5)0.017 (6)
C280.051 (5)0.061 (5)0.077 (6)0.005 (4)0.010 (4)0.012 (4)
C290.126 (11)0.105 (8)0.121 (9)0.009 (8)0.022 (9)0.010 (7)
C29'0.126 (11)0.105 (8)0.121 (9)0.009 (8)0.022 (9)0.010 (7)

Geometric parameters (Å, °)

Cd1—N32.355 (6)C8—C91.3900
Cd1—N42.408 (6)C8—H80.9300
Cd1—S12.612 (2)C9—H90.9300
Cd1—S42.664 (2)C11—C121.493 (5)
Cd1—S32.696 (2)C11—H11A0.9700
Cd1—S22.759 (2)C11—H11B0.9700
Cl1—C291.731 (9)C12—H12A0.9600
Cl2—C291.740 (9)C12—H12B0.9600
Cl3—C291.737 (9)C12—H12C0.9600
Cl1'—C29'1.730 (9)C13—C141.3900
Cl2'—C29'1.736 (9)C13—C181.3900
Cl3'—C29'1.736 (9)C14—C151.3900
S1—C11.731 (8)C14—H140.9300
S2—C11.686 (8)C15—C161.3900
S3—C101.709 (7)C15—H150.9300
S4—C101.703 (7)C16—C171.3900
N1—C11.350 (9)C16—H160.9300
N1—C41.430 (7)C17—C181.3900
N1—C21.471 (5)C17—H170.9300
N2—C101.341 (9)C18—H180.9300
N2—C131.438 (7)C19—C201.363 (12)
N2—C111.458 (5)C19—H190.9300
N3—C191.332 (10)C20—C211.362 (13)
N3—C231.335 (9)C20—H200.9300
N4—C281.338 (9)C21—C221.354 (12)
N4—C241.341 (10)C21—H210.9300
C2—C31.486 (5)C22—C231.379 (11)
C2—H2A0.9700C22—H220.9300
C2—H2B0.9700C23—C241.493 (11)
C3—H3A0.9600C24—C251.394 (11)
C3—H3B0.9600C25—C261.367 (13)
C3—H3C0.9600C25—H250.9300
C4—C51.3900C26—C271.362 (14)
C4—C91.3900C26—H260.9300
C5—C61.3900C27—C281.370 (12)
C5—H50.9300C27—H270.9300
C6—C71.3900C28—H280.9300
C6—H60.9300C29—H290.9800
C7—C81.3900C29'—H29'0.9800
C7—H70.9300
N3—Cd1—N468.2 (2)N2—C11—H11B109.2
N3—Cd1—S1137.94 (17)C12—C11—H11B109.2
N4—Cd1—S192.60 (15)H11A—C11—H11B107.9
N3—Cd1—S496.75 (16)C11—C12—H12A109.5
N4—Cd1—S4145.52 (15)C11—C12—H12B109.5
S1—Cd1—S4116.75 (7)H12A—C12—H12B109.5
N3—Cd1—S3104.88 (16)C11—C12—H12C109.5
N4—Cd1—S386.69 (15)H12A—C12—H12C109.5
S1—Cd1—S3111.16 (7)H12B—C12—H12C109.5
S4—Cd1—S366.76 (6)C14—C13—C18120.0
N3—Cd1—S287.94 (15)C14—C13—N2119.5 (5)
N4—Cd1—S2116.60 (15)C18—C13—N2120.5 (5)
S1—Cd1—S267.08 (6)C13—C14—C15120.0
S4—Cd1—S292.56 (7)C13—C14—H14120.0
S3—Cd1—S2156.49 (7)C15—C14—H14120.0
C1—S1—Cd188.0 (3)C14—C15—C16120.0
C1—S2—Cd184.2 (3)C14—C15—H15120.0
C10—S3—Cd186.2 (3)C16—C15—H15120.0
C10—S4—Cd187.3 (2)C17—C16—C15120.0
C1—N1—C4122.0 (6)C17—C16—H16120.0
C1—N1—C2121.8 (7)C15—C16—H16120.0
C4—N1—C2115.1 (7)C16—C17—C18120.0
C10—N2—C13119.5 (5)C16—C17—H17120.0
C10—N2—C11124.2 (6)C18—C17—H17120.0
C13—N2—C11116.1 (6)C17—C18—C13120.0
C19—N3—C23118.0 (7)C17—C18—H18120.0
C19—N3—Cd1120.6 (5)C13—C18—H18120.0
C23—N3—Cd1120.7 (5)N3—C19—C20122.8 (8)
C28—N4—C24116.8 (7)N3—C19—H19118.6
C28—N4—Cd1124.3 (5)C20—C19—H19118.6
C24—N4—Cd1118.4 (5)C19—C20—C21119.4 (8)
N1—C1—S2120.8 (6)C19—C20—H20120.3
N1—C1—S1118.5 (6)C21—C20—H20120.3
S2—C1—S1120.7 (4)C22—C21—C20118.2 (9)
C3—C2—N1104.0 (11)C22—C21—H21120.9
C3—C2—H2A111.0C20—C21—H21120.9
N1—C2—H2A111.0C21—C22—C23120.5 (8)
C3—C2—H2B111.0C21—C22—H22119.8
N1—C2—H2B111.0C23—C22—H22119.8
H2A—C2—H2B109.0N3—C23—C22121.1 (7)
C2—C3—H3A109.5N3—C23—C24115.5 (7)
C2—C3—H3B109.5C22—C23—C24123.4 (7)
H3A—C3—H3B109.5N4—C24—C25122.7 (8)
C2—C3—H3C109.5N4—C24—C23116.1 (6)
H3A—C3—H3C109.5C25—C24—C23121.2 (7)
H3B—C3—H3C109.5C26—C25—C24118.5 (9)
C5—C4—C9120.0C26—C25—H25120.8
C5—C4—N1120.0 (6)C24—C25—H25120.8
C9—C4—N1119.8 (6)C27—C26—C25119.4 (9)
C6—C5—C4120.0C27—C26—H26120.3
C6—C5—H5120.0C25—C26—H26120.3
C4—C5—H5120.0C26—C27—C28118.9 (9)
C5—C6—C7120.0C26—C27—H27120.5
C5—C6—H6120.0C28—C27—H27120.5
C7—C6—H6120.0N4—C28—C27123.7 (9)
C8—C7—C6120.0N4—C28—H28118.2
C8—C7—H7120.0C27—C28—H28118.2
C6—C7—H7120.0Cl1—C29—Cl3108.6 (8)
C9—C8—C7120.0Cl1—C29—Cl2108.2 (7)
C9—C8—H8120.0Cl3—C29—Cl2107.8 (7)
C7—C8—H8120.0Cl1—C29—H29110.7
C8—C9—C4120.0Cl3—C29—H29110.7
C8—C9—H9120.0Cl2—C29—H29110.7
C4—C9—H9120.0Cl1'—C29'—Cl2'108.3 (7)
N2—C10—S4120.7 (5)Cl1'—C29'—Cl3'109.0 (8)
N2—C10—S3119.7 (5)Cl2'—C29'—Cl3'108.5 (7)
S4—C10—S3119.6 (4)Cl1'—C29'—H29'110.3
N2—C11—C12112.0 (7)Cl2'—C29'—H29'110.3
N2—C11—H11A109.2Cl3'—C29'—H29'110.3
C12—C11—H11A109.2
N3—Cd1—S1—C1−57.8 (3)N1—C4—C5—C6−175.0 (5)
N4—Cd1—S1—C1−117.5 (3)C4—C5—C6—C70.0
S4—Cd1—S1—C181.3 (3)C5—C6—C7—C80.0
S3—Cd1—S1—C1155.1 (3)C6—C7—C8—C90.0
S2—Cd1—S1—C10.4 (3)C7—C8—C9—C40.0
N3—Cd1—S2—C1144.9 (3)C5—C4—C9—C80.0
N4—Cd1—S2—C180.6 (3)N1—C4—C9—C8175.0 (5)
S1—Cd1—S2—C1−0.4 (3)C13—N2—C10—S4−0.1 (10)
S4—Cd1—S2—C1−118.5 (3)C11—N2—C10—S4174.8 (6)
S3—Cd1—S2—C1−91.0 (3)C13—N2—C10—S3−178.9 (5)
N3—Cd1—S3—C1092.9 (3)C11—N2—C10—S3−4.0 (10)
N4—Cd1—S3—C10159.3 (3)Cd1—S4—C10—N2−175.7 (6)
S1—Cd1—S3—C10−109.2 (3)Cd1—S4—C10—S33.1 (4)
S4—Cd1—S3—C101.9 (3)Cd1—S3—C10—N2175.7 (6)
S2—Cd1—S3—C10−28.2 (3)Cd1—S3—C10—S4−3.1 (4)
N3—Cd1—S4—C10−105.2 (3)C10—N2—C11—C1295.3 (10)
N4—Cd1—S4—C10−44.4 (4)C13—N2—C11—C12−89.6 (9)
S1—Cd1—S4—C10101.0 (3)C10—N2—C13—C1496.2 (7)
S3—Cd1—S4—C10−1.9 (3)C11—N2—C13—C14−79.1 (7)
S2—Cd1—S4—C10166.6 (3)C10—N2—C13—C18−85.7 (7)
N4—Cd1—N3—C19174.9 (7)C11—N2—C13—C1898.9 (7)
S1—Cd1—N3—C19106.6 (6)C18—C13—C14—C150.0
S4—Cd1—N3—C19−37.2 (6)N2—C13—C14—C15178.1 (5)
S3—Cd1—N3—C19−104.9 (6)C13—C14—C15—C160.0
S2—Cd1—N3—C1955.1 (6)C14—C15—C16—C170.0
N4—Cd1—N3—C234.6 (5)C15—C16—C17—C180.0
S1—Cd1—N3—C23−63.6 (6)C16—C17—C18—C130.0
S4—Cd1—N3—C23152.5 (5)C14—C13—C18—C170.0
S3—Cd1—N3—C2384.8 (5)N2—C13—C18—C17−178.0 (5)
S2—Cd1—N3—C23−115.2 (5)C23—N3—C19—C200.7 (13)
N3—Cd1—N4—C28174.0 (6)Cd1—N3—C19—C20−169.8 (7)
S1—Cd1—N4—C28−44.5 (6)N3—C19—C20—C210.5 (15)
S4—Cd1—N4—C28105.0 (6)C19—C20—C21—C22−1.4 (15)
S3—Cd1—N4—C2866.5 (6)C20—C21—C22—C231.2 (14)
S2—Cd1—N4—C28−110.1 (6)C19—N3—C23—C22−0.9 (11)
N3—Cd1—N4—C242.5 (5)Cd1—N3—C23—C22169.6 (6)
S1—Cd1—N4—C24144.0 (5)C19—N3—C23—C24179.0 (7)
S4—Cd1—N4—C24−66.4 (6)Cd1—N3—C23—C24−10.4 (8)
S3—Cd1—N4—C24−104.9 (5)C21—C22—C23—N30.0 (13)
S2—Cd1—N4—C2478.4 (5)C21—C22—C23—C24180.0 (7)
C4—N1—C1—S2179.5 (6)C28—N4—C24—C25−2.2 (11)
C2—N1—C1—S2−13.4 (13)Cd1—N4—C24—C25169.9 (6)
C4—N1—C1—S10.0 (11)C28—N4—C24—C23179.4 (6)
C2—N1—C1—S1167.1 (8)Cd1—N4—C24—C23−8.5 (8)
Cd1—S2—C1—N1−178.8 (7)N3—C23—C24—N412.3 (9)
Cd1—S2—C1—S10.7 (4)C22—C23—C24—N4−167.7 (7)
Cd1—S1—C1—N1178.8 (7)N3—C23—C24—C25−166.1 (7)
Cd1—S1—C1—S2−0.7 (5)C22—C23—C24—C2513.8 (11)
C1—N1—C2—C3104.8 (12)N4—C24—C25—C261.1 (12)
C4—N1—C2—C3−87.3 (12)C23—C24—C25—C26179.4 (8)
C1—N1—C4—C5−97.3 (8)C24—C25—C26—C27−0.3 (14)
C2—N1—C4—C594.8 (9)C25—C26—C27—C280.6 (15)
C1—N1—C4—C987.7 (8)C24—N4—C28—C272.5 (12)
C2—N1—C4—C9−80.2 (9)Cd1—N4—C28—C27−169.0 (7)
C9—C4—C5—C60.0C26—C27—C28—N4−1.8 (14)

Footnotes

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: XU2633).

References

  • Airoldi, C., De Oliveira, S. F., Ruggiero, S. G. & Lechat, J. R. (1990). Inorg. Chim. Acta, 174, 103–108.
  • Barbour, L. J. (2001). J. Supramol. Chem.1, 189–191.
  • Bruker (2000). SAINT and SMART Bruker AXS Inc., Madison, Wisconsin, USA.
  • Deng, Y.-H., Liu, J., Yang, Y.-L. & Ma, H.-W. (2007). Huaxue Xuebao, 65, 2868–2874.
  • Ivanchenko, A. V., Gromilov, S. A., Zemskova, S. M. & Baidina, I. A. (2000). Zh. Strukt. Khim.41, 106–115.
  • Sheldrick, G. M. (1996). SADABS University of Göttingen, Germany.
  • Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. [PubMed]
  • Westrip, S. P. (2009). publCIF In preparation.

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