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Acta Cryst. (2009). E65, m1364    [ doi:10.1107/S1600536809041294 ]

(2,2'-Bipyridine-[kappa]2N,N')bis(N-ethyl-N-phenyldithiocarbamato-[kappa]2S,S')cadmium(II) chloroform solvate

I. Baba, N. I. Nik Intan, B. M. Yamin and S. W. Ng

Abstract top

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 top

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

Experimental top

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 top

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).

Computing details top

Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 2000); data reduction: SAINT (Bruker, 2000); 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, 2009).

Figures top
[Figure 1] 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.
(2,2'-Bipyridine-κ2N,N')bis(N-ethyl-N- phenyldithiocarbamato-κ2S,S')cadmium(II) chloroform solvate top
Crystal data top
[Cd(C9H10NS2)2(C10H8N2)]·CHCl3F(000) = 1576
Mr = 780.55Dx = 1.533 Mg m−3
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 mm−1
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 top
Bruker SMART APEX
diffractometer		5964 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°
φ 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 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)] = 0.070Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.170H-atom parameters constrained
S = 1.31 w = 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 Å−3
76 restraintsΔρmin = −0.72 e Å−3
Crystal data top
[Cd(C9H10NS2)2(C10H8N2)]·CHCl3V = 3382.5 (6) Å3
Mr = 780.55Z = 4
Monoclinic, P21/cMo Kα radiation
a = 7.1911 (6) ŵ = 1.16 mm−1
b = 27.752 (3) ÅT = 293 K
c = 17.1907 (16) Å0.23 × 0.06 × 0.01 mm
β = 99.620 (5)°
Data collection top
Bruker SMART APEX
diffractometer		5964 independent reflections
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)		4307 reflections with I > 2σ(I)
Tmin = 0.777, Tmax = 0.989Rint = 0.056
18956 measured reflectionsθmax = 25.0°
Refinement top
R[F2 > 2σ(F2)] = 0.070H-atom parameters constrained
wR(F2) = 0.170Δρmax = 0.85 e Å−3
S = 1.31Δρmin = −0.72 e Å−3
5964 reflectionsAbsolute structure: ?
358 parametersFlack parameter: ?
76 restraintsRogers parameter: ?
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
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) top
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, °) top
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)
Acknowledgements top

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

references
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