catena-Poly[[di-μ-chlorido-bis­{[6-methoxy-2-(4-methyl­phenyl­iminio­methyl)phenolato-κ2O,O′]cadmium(II)}]-di-μ2-thio­cyanato-κ2N:S;κ2S:N]

Li, H.-Q.; Xian, H.-D.; Liu, J.-F.; Zhao, G.-L.

doi:10.1107/S1600536808038099

metal-organic compounds

CRYSTALLOGRAPHIC
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ISSN: 2056-9890

Volume 64| Part 12| December 2008| Pages m1593-m1594

doi:10.1107/S1600536808038099

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catena-Poly[[di-μ-chlorido-bis{[6-methoxy-2-(4-methylphenyliminiomethyl)phenolato-κ²O,O′]cadmium(II)}]-di-μ₂-thiocyanato-κ²N:S;κ²S:N]

Hua-Qiong Li,^a Hui-Duo Xian,^a Jian-Feng Liu ^a and Guo-Liang Zhao ^a ^*

^aZhejiang Key Laboratory for Reactive Chemistry on Solid Surfaces, Institute of Physical Chemistry, Zhejiang Normal University, Jinhua, Zhejiang 321004, People's Republic of China, and, College of Chemistry and Life Science, Zhejiang Normal University, Jinhua 321004, Zhejiang, People's Republic of China
^*Correspondence e-mail: sky53@zjnu.cn

(Received 9 October 2008; accepted 16 November 2008; online 22 November 2008)

The asymmetric unit of the title compound, [Cd₂Cl₂(NCS)₂(C₁₅H₁₅NO₂)₂]_n, contains the Schiff base 2-[(4-methylphenylimino)methyl]-6-methoxyphenol (HL) ligand, one thiocyanate and one chloride ligand coordinated to a cadmium centre. The cadmium centers are linked to each other via two thiocyanate and two chloride bridges alternately, resulting in centrosymmetric zigzag chains running parallel to the a axis. The Cd^II coordination environment contains two Cl atoms, one thiocyanate (SCN) S atom, one isothiocyanate (NCS) N atom and two O atoms from the HL ligand. The Schiff base ligand is in the trans conformation.

Related literature

For related literature regarding Schiff bases and their complexes, see: Mondal et al. (1999 ); Sen et al. (2006 ); Yi et al. (2004 ); Yu et al. (2007 ); Zhao et al. (2007 ); Zhou & Zhao (2007 ). For related structures, see: Ding et al. (2006 ); Suh et al. (2007 ).

Experimental

Crystal data

[Cd₂Cl₂(NCS)₂(C₁₅H₁₅NO₂)₂]
M_r = 447.23
Triclinic, $[P \overline 1]$
a = 9.0485 (2) Å
b = 9.7321 (2) Å
c = 10.6676 (3) Å
α = 71.518 (2)°
β = 77.444 (2)°
γ = 80.732 (2)°
V = 865.32 (4) Å³
Z = 2
Mo Kα radiation
μ = 1.55 mm⁻¹
T = 296 (2) K
0.27 × 0.11 × 0.08 mm

Data collection

Bruker APEXII diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ) T_min = 0.82, T_max = 0.882
13032 measured reflections
3940 independent reflections
3225 reflections with I > 2σ(I)
R_int = 0.029

Refinement

R[F² > 2σ(F²)] = 0.032
wR(F²) = 0.081
S = 1.01
3940 reflections
208 parameters
H-atom parameters constrained
Δρ_max = 0.54 e Å⁻³
Δρ_min = −0.52 e Å⁻³

Data collection: APEX2 (Bruker, 2006 ); cell refinement: SAINT (Bruker, 2006); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXL97.

Supporting information

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536808038099/ez2146sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536808038099/ez2146Isup2.hkl

checkCIF report

Comment top

salen-type Schiff bases are capable of forming complexes with different coordination modes, with certain metal ions. Some of these compounds have promising applications in catalysis, enzyme models and optical and magnetic materials (Sen et al., 2006). In addition, the unusual coordination modes of Schiff base ligands leads to unusual structures of the complexes. In previous articles (Zhou & Zhao, 2007; Yu et al., 2007; Zhao et al., 2007), we reported the synthesis and the ligating properties of the title Schiff base ligand, HL, derived from the condensation of o-vanillin and p-toluidine, to several transition and rare earth metals with different anions. In addition, many coordination polymers of one-, two-, and three-dimensional infinite frameworks involving cadmium(II) ions have been synthesized and studied due to their potential applications (Mondal et al., 1999). Coordination polymers of cadmium(II) have been exploited using anionic ligands, e.g., Cl^-, Br^-, I^-, SCN^-, N3^-, SeCN^-, etc., which are also an essential part of the coordination polyhedron, besides the organic ligand (Yi et al., 2004). Here we decribe the synthesis and crystal structure of a new cadmium(II) complex (Figure 1), [Cd(HL)(SCN)Cl]_n, involving the Schiff base HL.

As shown in Fig. 1 and 2, each Cd^II atom is hexacoordinated by two Cl atoms, one thiocyanate S atom, one isothiocyanate N atom and two O atoms from the Schiff base ligand, HL. The HL ligand is in the trans conformation. The geometry around the Cd^II atom is a distorted octahedron. Neighbouring octahedral Cd centres are bridged by, alternately, the SCN and NCS ligands and two Cl ligands to form alternating eight-membered Cd—S—C—N—Cd—S—C—N– and four-membered Cd—Cl—Cd—Cl- rings. These chains run parallel to the a axis. The Cd—S_SCN bond length is longer than the Cd—N_NCS distance [2.7096 (11) versus 2.2484 (26) Å], which, together with the bond angles, are similar to related compounds in the literatures (Suh et al., 2007; Ding et al., 2006).

Related literature top

For related literature regarding Schiff bases and their complexes, see: Mondal et al. (1999); Sen et al. (2006); Yi et al. (2004); Yu et al. (2007); Zhao et al. (2007); Zhou & Zhao (2007). For related structures, see: Ding et al. (2006); Suh et al. (2007).

Experimental top

First, the ligand was prepared by the direct solid-phase reaction of o-vanillin (10 mmol, 1.5251 g) and p-toluidine (10 mmol, 1.0700 g). The reactants were ground in an agate mortar. The color of the mixture changed from light yellow to orange. Then, for the preparation of the complex, a solution of CdCl₂. 2.5H₂O (1 mmol, 0.2931 g) and KSCN (0.1945 g, 2 mmol) in methanol (10 ml) was added to a methanol (30 ml) solution of the Schiff base ligand (2 mmol, 0.4826 g). Yellow crystals were obtained after 10 days.

Computing details top

Data collection: APEX2 (Bruker, 2006); cell refinement: SAINT (Bruker, 2006); data reduction: SAINT (Bruker, 2006); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008).

Figures top

	Fig. 1. The coordination around the cadmium(II) center, showing the atom-labelling scheme. Displacement ellipsoids are drawn at the 30% probability level.
	Fig. 2. A perspective view of the title compound along the b axis. H atoms have been omitted for clarity.

catena-Poly[[di-µ-chlorido-bis{[6-methoxy-2-(4- methylphenyliminiomethyl)phenolato-κ²O,O']cadmium(II)}]- di-µ₂-thiocyanato-κ²N:S;κ²S:N] top

Crystal data top

[Cd₂Cl₂(NCS)₂(C₁₅H₁₅NO₂)₂]	Z = 2
M_r = 447.23	F(000) = 444
Triclinic, P1	D_x = 1.717 Mg m⁻³
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 9.0485 (2) Å	Cell parameters from 4749 reflections
b = 9.7321 (2) Å	θ = 2.1–27.4°
c = 10.6676 (3) Å	µ = 1.55 mm⁻¹
α = 71.518 (2)°	T = 296 K
β = 77.444 (2)°	Block, red
γ = 80.732 (2)°	0.27 × 0.11 × 0.08 mm
V = 865.32 (4) Å³

Data collection top

Bruker APEXII diffractometer	3940 independent reflections
Radiation source: fine-focus sealed tube	3225 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.029
ω scans	θ_max = 27.4°, θ_min = 2.1°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −11→11
T_min = 0.82, T_max = 0.882	k = −12→12
13032 measured reflections	l = −13→13

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)] = 0.032	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.081	H-atom parameters constrained
S = 1.01	w = 1/[σ²(F_o²) + (0.0453P)² + 0.1806P] where P = (F_o² + 2F_c²)/3
3940 reflections	(Δ/σ)_max < 0.001
208 parameters	Δρ_max = 0.54 e Å⁻³
0 restraints	Δρ_min = −0.52 e Å⁻³

Crystal data top

[Cd₂Cl₂(NCS)₂(C₁₅H₁₅NO₂)₂]	γ = 80.732 (2)°
M_r = 447.23	V = 865.32 (4) Å³
Triclinic, P1	Z = 2
a = 9.0485 (2) Å	Mo Kα radiation
b = 9.7321 (2) Å	µ = 1.55 mm⁻¹
c = 10.6676 (3) Å	T = 296 K
α = 71.518 (2)°	0.27 × 0.11 × 0.08 mm
β = 77.444 (2)°

Data collection top

Bruker APEXII diffractometer	3940 independent reflections
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	3225 reflections with I > 2σ(I)
T_min = 0.82, T_max = 0.882	R_int = 0.029
13032 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.032	0 restraints
wR(F²) = 0.081	H-atom parameters constrained
S = 1.01	Δρ_max = 0.54 e Å⁻³
3940 reflections	Δρ_min = −0.52 e Å⁻³
208 parameters

Special details top

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

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

	x	y	z	U_iso*/U_eq
Cd1	0.16960 (2)	0.06238 (2)	0.54427 (2)	0.04022 (10)
Cl1	0.05869 (9)	0.10606 (10)	0.33628 (8)	0.0508 (2)
O1	−0.0129 (2)	0.2707 (2)	0.5970 (2)	0.0479 (5)
N1	0.2771 (3)	−0.0247 (3)	0.9681 (2)	0.0380 (5)
H1D	0.2767	−0.0267	0.8882	0.046*
C1	0.6806 (5)	−0.4746 (4)	1.2474 (5)	0.0786 (13)
H1A	0.6777	−0.4648	1.3347	0.118*
H1B	0.7825	−0.4685	1.1977	0.118*
H1C	0.6482	−0.5672	1.2569	0.118*
S1	0.64223 (10)	−0.27344 (10)	0.58734 (12)	0.0690 (3)
O2	0.1735 (2)	0.0798 (2)	0.7460 (2)	0.0448 (5)
C2	0.5752 (4)	−0.3537 (4)	1.1732 (4)	0.0549 (9)
N2	0.3597 (3)	−0.1180 (3)	0.5586 (3)	0.0555 (7)
C3	0.4944 (4)	−0.2504 (4)	1.2320 (4)	0.0538 (9)
H3A	0.5066	−0.2555	1.3178	0.065*
C4	0.3960 (4)	−0.1396 (4)	1.1679 (3)	0.0472 (8)
H4A	0.3428	−0.0712	1.2097	0.057*
C5	0.3782 (3)	−0.1326 (3)	1.0407 (3)	0.0385 (7)
C6	0.4605 (4)	−0.2321 (4)	0.9780 (4)	0.0541 (9)
H6A	0.4510	−0.2254	0.8911	0.065*
C7	0.5572 (4)	−0.3416 (4)	1.0452 (4)	0.0645 (10)
H7A	0.6116	−0.4091	1.0029	0.077*
C8	0.1852 (3)	0.0767 (3)	1.0080 (3)	0.0405 (7)
H8A	0.1835	0.0824	1.0937	0.049*
C9	0.0880 (3)	0.1784 (3)	0.9282 (3)	0.0373 (6)
C10	−0.0067 (4)	0.2857 (4)	0.9810 (3)	0.0543 (9)
H10A	−0.0047	0.2876	1.0673	0.065*
C11	−0.0998 (4)	0.3851 (4)	0.9058 (4)	0.0604 (10)
H11A	−0.1604	0.4560	0.9404	0.073*
C12	−0.1062 (3)	0.3829 (3)	0.7766 (3)	0.0464 (8)
H12A	−0.1718	0.4514	0.7267	0.056*
C13	−0.0171 (3)	0.2811 (3)	0.7232 (3)	0.0369 (6)
C14	0.0858 (3)	0.1752 (3)	0.7971 (3)	0.0334 (6)
C15	−0.1276 (4)	0.3549 (4)	0.5233 (3)	0.0516 (8)
H15A	−0.1801	0.4271	0.5654	0.077*
H15B	−0.1987	0.2921	0.5221	0.077*
H15C	−0.0812	0.4019	0.4330	0.077*
C16	0.4777 (4)	−0.1803 (3)	0.5696 (3)	0.0441 (7)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Cd1	0.03390 (14)	0.05451 (16)	0.03464 (15)	0.00929 (10)	−0.01210 (9)	−0.01906 (11)
Cl1	0.0445 (4)	0.0800 (6)	0.0284 (4)	−0.0077 (4)	−0.0083 (3)	−0.0144 (4)
O1	0.0485 (12)	0.0591 (13)	0.0372 (12)	0.0207 (10)	−0.0209 (10)	−0.0196 (10)
N1	0.0383 (13)	0.0445 (13)	0.0308 (14)	0.0031 (11)	−0.0115 (10)	−0.0104 (11)
C1	0.056 (2)	0.062 (2)	0.100 (3)	−0.0001 (19)	−0.035 (2)	0.012 (2)
S1	0.0392 (5)	0.0516 (5)	0.0980 (8)	0.0070 (4)	−0.0190 (5)	0.0023 (5)
O2	0.0492 (13)	0.0502 (12)	0.0392 (12)	0.0204 (10)	−0.0211 (10)	−0.0226 (10)
C2	0.0390 (18)	0.0470 (19)	0.068 (3)	−0.0045 (15)	−0.0191 (17)	0.0037 (17)
N2	0.0361 (15)	0.0505 (16)	0.076 (2)	0.0055 (13)	−0.0112 (14)	−0.0172 (15)
C3	0.052 (2)	0.063 (2)	0.040 (2)	−0.0058 (17)	−0.0179 (16)	0.0018 (16)
C4	0.0464 (18)	0.0571 (19)	0.0355 (18)	0.0009 (15)	−0.0106 (14)	−0.0105 (15)
C5	0.0341 (15)	0.0419 (16)	0.0375 (17)	−0.0010 (12)	−0.0119 (13)	−0.0066 (13)
C6	0.052 (2)	0.061 (2)	0.051 (2)	0.0156 (16)	−0.0234 (17)	−0.0204 (17)
C7	0.057 (2)	0.062 (2)	0.079 (3)	0.0174 (18)	−0.025 (2)	−0.030 (2)
C8	0.0395 (17)	0.0526 (18)	0.0284 (16)	−0.0012 (14)	−0.0054 (13)	−0.0125 (13)
C9	0.0336 (15)	0.0459 (16)	0.0314 (16)	0.0038 (13)	−0.0064 (12)	−0.0132 (13)
C10	0.056 (2)	0.069 (2)	0.0392 (19)	0.0146 (17)	−0.0108 (16)	−0.0249 (17)
C11	0.058 (2)	0.069 (2)	0.058 (2)	0.0254 (18)	−0.0117 (18)	−0.0367 (19)
C12	0.0386 (17)	0.0500 (18)	0.0453 (19)	0.0127 (14)	−0.0117 (14)	−0.0123 (15)
C13	0.0337 (15)	0.0425 (16)	0.0338 (16)	0.0011 (12)	−0.0088 (12)	−0.0106 (13)
C14	0.0290 (14)	0.0377 (15)	0.0323 (16)	0.0005 (11)	−0.0056 (11)	−0.0104 (12)
C15	0.0463 (19)	0.062 (2)	0.044 (2)	0.0107 (16)	−0.0222 (15)	−0.0110 (16)
C16	0.0392 (17)	0.0434 (17)	0.048 (2)	−0.0021 (14)	−0.0039 (14)	−0.0144 (14)

Geometric parameters (Å, º) top

Cd1—O2	2.2191 (19)	C3—C4	1.383 (4)
Cd1—N2	2.244 (3)	C3—H3A	0.9300
Cd1—Cl1	2.5187 (8)	C4—C5	1.381 (4)
Cd1—O1	2.529 (2)	C4—H4A	0.9300
Cd1—Cl1ⁱ	2.6833 (9)	C5—C6	1.379 (4)
Cd1—S1ⁱⁱ	2.7107 (10)	C6—C7	1.380 (5)
Cl1—Cd1ⁱ	2.6833 (9)	C6—H6A	0.9300
O1—C13	1.373 (3)	C7—H7A	0.9300
O1—C15	1.428 (4)	C8—C9	1.410 (4)
N1—C8	1.303 (4)	C8—H8A	0.9300
N1—C5	1.421 (4)	C9—C14	1.413 (4)
N1—H1D	0.8600	C9—C10	1.420 (4)
C1—C2	1.515 (5)	C10—C11	1.352 (5)
C1—H1A	0.9600	C10—H10A	0.9300
C1—H1B	0.9600	C11—C12	1.400 (5)
C1—H1C	0.9600	C11—H11A	0.9300
S1—C16	1.629 (3)	C12—C13	1.362 (4)
S1—Cd1ⁱⁱ	2.7107 (10)	C12—H12A	0.9300
O2—C14	1.299 (3)	C13—C14	1.430 (4)
C2—C7	1.376 (5)	C15—H15A	0.9600
C2—C3	1.379 (5)	C15—H15B	0.9600
N2—C16	1.150 (4)	C15—H15C	0.9600

O2—Cd1—N2	92.93 (9)	C3—C4—H4A	120.7
O2—Cd1—Cl1	155.30 (6)	C6—C5—C4	120.3 (3)
N2—Cd1—Cl1	110.91 (8)	C6—C5—N1	117.0 (3)
O2—Cd1—O1	67.95 (7)	C4—C5—N1	122.7 (3)
N2—Cd1—O1	160.37 (10)	C5—C6—C7	119.4 (3)
Cl1—Cd1—O1	88.62 (5)	C5—C6—H6A	120.3
O2—Cd1—Cl1ⁱ	86.93 (6)	C7—C6—H6A	120.3
N2—Cd1—Cl1ⁱ	96.98 (7)	C2—C7—C6	121.8 (3)
Cl1—Cd1—Cl1ⁱ	83.92 (3)	C2—C7—H7A	119.1
O1—Cd1—Cl1ⁱ	86.77 (6)	C6—C7—H7A	119.1
O2—Cd1—S1ⁱⁱ	94.23 (6)	N1—C8—C9	123.5 (3)
N2—Cd1—S1ⁱⁱ	93.69 (8)	N1—C8—H8A	118.3
Cl1—Cd1—S1ⁱⁱ	90.71 (3)	C9—C8—H8A	118.3
O1—Cd1—S1ⁱⁱ	83.73 (6)	C8—C9—C14	120.8 (2)
Cl1ⁱ—Cd1—S1ⁱⁱ	169.20 (3)	C8—C9—C10	118.9 (3)
Cd1—Cl1—Cd1ⁱ	96.08 (3)	C14—C9—C10	120.3 (3)
C13—O1—C15	118.3 (2)	C11—C10—C9	119.9 (3)
C13—O1—Cd1	113.42 (16)	C11—C10—H10A	120.0
C15—O1—Cd1	126.96 (18)	C9—C10—H10A	120.0
C8—N1—C5	127.9 (3)	C10—C11—C12	121.0 (3)
C8—N1—H1D	116.1	C10—C11—H11A	119.5
C5—N1—H1D	116.1	C12—C11—H11A	119.5
C2—C1—H1A	109.5	C13—C12—C11	120.5 (3)
C2—C1—H1B	109.5	C13—C12—H12A	119.7
H1A—C1—H1B	109.5	C11—C12—H12A	119.7
C2—C1—H1C	109.5	C12—C13—O1	125.2 (3)
H1A—C1—H1C	109.5	C12—C13—C14	121.0 (3)
H1B—C1—H1C	109.5	O1—C13—C14	113.9 (2)
C16—S1—Cd1ⁱⁱ	100.35 (12)	O2—C14—C9	121.3 (3)
C14—O2—Cd1	123.29 (18)	O2—C14—C13	121.4 (3)
C7—C2—C3	117.5 (3)	C9—C14—C13	117.3 (2)
C7—C2—C1	121.8 (4)	O1—C15—H15A	109.5
C3—C2—C1	120.7 (4)	O1—C15—H15B	109.5
C16—N2—Cd1	160.6 (3)	H15A—C15—H15B	109.5
C2—C3—C4	122.3 (3)	O1—C15—H15C	109.5
C2—C3—H3A	118.8	H15A—C15—H15C	109.5
C4—C3—H3A	118.8	H15B—C15—H15C	109.5
C5—C4—C3	118.6 (3)	N2—C16—S1	178.1 (3)
C5—C4—H4A	120.7

O2—Cd1—Cl1—Cd1ⁱ	−68.87 (15)	C8—N1—C5—C6	177.7 (3)
N2—Cd1—Cl1—Cd1ⁱ	95.17 (8)	C8—N1—C5—C4	−2.6 (5)
O1—Cd1—Cl1—Cd1ⁱ	−86.90 (6)	C4—C5—C6—C7	2.1 (5)
Cl1ⁱ—Cd1—Cl1—Cd1ⁱ	0.0	N1—C5—C6—C7	−178.2 (3)
S1ⁱⁱ—Cd1—Cl1—Cd1ⁱ	−170.61 (3)	C3—C2—C7—C6	−0.9 (6)
O2—Cd1—O1—C13	−2.23 (18)	C1—C2—C7—C6	179.6 (3)
N2—Cd1—O1—C13	−16.0 (4)	C5—C6—C7—C2	−0.7 (6)
Cl1—Cd1—O1—C13	169.75 (19)	C5—N1—C8—C9	−179.5 (3)
Cl1ⁱ—Cd1—O1—C13	85.76 (19)	N1—C8—C9—C14	−0.1 (5)
S1ⁱⁱ—Cd1—O1—C13	−99.38 (19)	N1—C8—C9—C10	−179.3 (3)
O2—Cd1—O1—C15	−169.0 (3)	C8—C9—C10—C11	179.4 (3)
N2—Cd1—O1—C15	177.2 (3)	C14—C9—C10—C11	0.2 (5)
Cl1—Cd1—O1—C15	3.0 (2)	C9—C10—C11—C12	1.0 (6)
Cl1ⁱ—Cd1—O1—C15	−81.0 (2)	C10—C11—C12—C13	−0.8 (6)
S1ⁱⁱ—Cd1—O1—C15	93.8 (2)	C11—C12—C13—O1	−178.9 (3)
N2—Cd1—O2—C14	177.8 (2)	C11—C12—C13—C14	−0.6 (5)
Cl1—Cd1—O2—C14	−17.1 (3)	C15—O1—C13—C12	−11.6 (5)
O1—Cd1—O2—C14	2.4 (2)	Cd1—O1—C13—C12	−179.6 (3)
Cl1ⁱ—Cd1—O2—C14	−85.3 (2)	C15—O1—C13—C14	169.9 (3)
S1ⁱⁱ—Cd1—O2—C14	83.9 (2)	Cd1—O1—C13—C14	1.9 (3)
O2—Cd1—N2—C16	−59.5 (9)	Cd1—O2—C14—C9	177.4 (2)
Cl1—Cd1—N2—C16	127.1 (9)	Cd1—O2—C14—C13	−2.4 (4)
O1—Cd1—N2—C16	−46.8 (10)	C8—C9—C14—O2	−0.5 (4)
Cl1ⁱ—Cd1—N2—C16	−146.8 (9)	C10—C9—C14—O2	178.7 (3)
S1ⁱⁱ—Cd1—N2—C16	34.9 (9)	C8—C9—C14—C13	179.3 (3)
C7—C2—C3—C4	1.3 (5)	C10—C9—C14—C13	−1.4 (4)
C1—C2—C3—C4	−179.2 (3)	C12—C13—C14—O2	−178.5 (3)
C2—C3—C4—C5	0.1 (5)	O1—C13—C14—O2	0.0 (4)
C3—C4—C5—C6	−1.8 (5)	C12—C13—C14—C9	1.7 (4)
C3—C4—C5—N1	178.5 (3)	O1—C13—C14—C9	−179.8 (3)

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

Experimental details

Crystal data
Chemical formula	[Cd₂Cl₂(NCS)₂(C₁₅H₁₅NO₂)₂]
M_r	447.23
Crystal system, space group	Triclinic, P1
Temperature (K)	296
a, b, c (Å)	9.0485 (2), 9.7321 (2), 10.6676 (3)
α, β, γ (°)	71.518 (2), 77.444 (2), 80.732 (2)
V (Å³)	865.32 (4)
Z	2
Radiation type	Mo Kα
µ (mm⁻¹)	1.55
Crystal size (mm)	0.27 × 0.11 × 0.08

Data collection
Diffractometer	Bruker APEXII diffractometer
Absorption correction	Multi-scan (SADABS; Sheldrick, 1996)
T_min, T_max	0.82, 0.882
No. of measured, independent and observed [I > 2σ(I)] reflections	13032, 3940, 3225
R_int	0.029
(sin θ/λ)_max (Å⁻¹)	0.647

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.032, 0.081, 1.01
No. of reflections	3940
No. of parameters	208
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	0.54, −0.52

Computer programs: APEX2 (Bruker, 2006), SAINT (Bruker, 2006), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).

References

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