(4,4′-Dimethyl-2,2′-bipyridine-κ2N,N′)(dimethyl­formamide-κO)diiodido­cadmium

Shirvan, S.A.; Haydari Dezfuli, S.; Khazali, F.; Borsalani, A.

doi:10.1107/S1600536812046648

metal-organic compounds

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ISSN: 2056-9890

Volume 68| Part 12| December 2012| Page m1495

doi:10.1107/S1600536812046648

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(4,4′-Dimethyl-2,2′-bipyridine-κ²N,N′)(dimethylformamide-κO)diiodidocadmium

Sadif A. Shirvan,^a ^* Sara Haydari Dezfuli,^a Fereydoon Khazali ^a and Ali Borsalani ^b

^aDepartment of Chemistry, Omidieh Branch, Islamic Azad University, Omidieh, Iran, and ^bDepartment of Petroleum Engineering, Omidieh Branch, Islamic Azad University, Omidieh, Iran
^*Correspondence e-mail: sadifchemist@hotmail.com

(Received 11 November 2012; accepted 12 November 2012; online 17 November 2012)

In the title compound, [CdI₂(C₁₂H₁₂N₂)(C₃H₇NO)], the Cd^II cation is five-coordinated in a distorted trigonal–bipyramidal configuration by two N atoms from a 4,4′-dimethyl-2,2′-bipyridine ligand, one O atom from a dimethylformamide ligand and two I⁻ anions. π–π stacking between pyridine rings of adjacent molecules [centroid–centroid distance = 3.666 (3) and 3.709 (4) Å] stabilizes the three-dimensional structure

Related literature

For related structures, see: Ahmadi et al. (2008 ); Alizadeh et al. (2010 ); Amani et al. (2009 ); Bellusci et al. (2008 ); Hojjat Kashani et al. (2008 ); Kalateh et al. (2008 , 2010 ); Shirvan & Haydari Dezfuli (2012 ); Sofetis et al. (2006 ); Willett et al. (2001 ); Yousefi et al. (2008 ).

Experimental

Crystal data

[CdI₂(C₁₂H₁₂N₂)(C₃H₇NO)]
M_r = 623.54
Monoclinic, P 2₁ /c
a = 8.6103 (6) Å
b = 15.1325 (8) Å
c = 15.4263 (10) Å
β = 98.347 (5)°
V = 1988.7 (2) Å³
Z = 4
Mo Kα radiation
μ = 4.21 mm⁻¹
T = 298 K
0.45 × 0.40 × 0.35 mm

Data collection

Bruker APEXII CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2001 ) T_min = 0.188, T_max = 0.223
12059 measured reflections
3907 independent reflections
2859 reflections with I > 2σ(I)
R_int = 0.052

Refinement

R[F² > 2σ(F²)] = 0.040
wR(F²) = 0.084
S = 0.98
3907 reflections
199 parameters
H-atom parameters constrained
Δρ_max = 0.85 e Å⁻³
Δρ_min = −1.08 e Å⁻³

Table 1
Selected bond lengths (Å)

Cd1—N1	2.327 (4)
Cd1—N2	2.365 (4)
Cd1—O1	2.345 (5)
Cd1—I1	2.7523 (7)
Cd1—I2	2.7635 (6)

Data collection: APEX2 (Bruker, 2007 ); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008 ); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Supporting information

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536812046648/xu5650sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536812046648/xu5650Isup2.hkl

checkCIF report

Comment top

Recently, we reported the synthes and crystal structure of [CdBr₂(4,4'-dmbpy)(DMSO)] (Shirvan & Haydari Dezfuli, 2012) [where 4,4'-dmbpy is 4,4'-dimethyl-2,2'-bipyridine and DMSO is dimethyl sulfoxide]. 4,4'-Dimethyl-2,2'-bipyridine is a good bidentate ligand, and numerous complexes with 4,4'-dmbipy have been prepared, such as that of mercury (Kalateh et al., 2008; Yousefi et al., 2008), indium (Ahmadi et al., 2008), iron (Amani et al., 2009), platin (Hojjat Kashani et al., 2008), silver (Bellusci et al., 2008), gallium (Sofetis et al., 2006), copper (Willett et al., 2001), cadmium (Kalateh et al., 2010) and zinc (Alizadeh et al., 2010). Here, we report the synthesis and structure of the title compound.

In the title compound, (Fig. 1), the Cd^II atom is five-coordinated in a distorted trigonal-bipyramidal configuration by two N atoms from one 4,4'-dimethyl-2,2'-bipyridine, one O atom from one dimethylformamide and two I atoms. The Cd—N, Cd—I and Cd—O bond lengths and angles are collected in Table 1.

In the crystal structure, π-π contacts (Fig. 2) between the pyridine rings, Cg2—Cg2ⁱ and Cg2—Cg3ⁱⁱ [symmetry cods: (i) 1-X,-Y,-Z and (ii) 2-X,-Y,-Z, where Cg2 and Cg3 are centroids of the rings (N1/C1—C3/C5—C6) and (N2/C7—C9/C11—C12), respectively] stabilize the structure, with centroid-centroid distance of 3.666 (3) and 3.709 (4) Å.

Related literature top

For related structures, see: Ahmadi et al. (2008); Alizadeh et al. (2010); Amani et al. (2009); Bellusci et al. (2008); Hojjat Kashani et al. (2008); Kalateh et al. (2008, 2010); Shirvan & Haydari Dezfuli (2012); Sofetis et al. (2006); Willett et al. (2001); Yousefi et al. (2008).

Experimental top

For the preparation of the title compound, a solution of 4,4'-dimethyl-2,2'-bipyridine (0.15 g, 0.80 mmol) in methanol (10 ml) was added to a solution of CdI₂, (0.29 g, 0.80 mmol) in methanol (5 ml) at room temperature. The suitable crystals for X-ray diffraction experiment were obtained by methanol diffusion to a colorless solution in dimethylformamide. Suitable crystals were isolated after one week (yield; 0.37 g, 74.2%).

Computing details top

Data collection: APEX2 (Bruker, 2007); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT (Bruker, 2007); program(s) used to solve structure: SHELXTL (Sheldrick, 2008); program(s) used to refine structure: SHELXTL (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Figures top

	Fig. 1. The molecular structure of the title molecule, with the atom-numbering scheme. Displacement ellipsoids are drawn at the 30% probability level.
	Fig. 2. Unit-cell packing diagram for title molecule.

(4,4'-Dimethyl-2,2'-bipyridine-κ²N,N')(dimethylformamide- κO)diiodidocadmium top

Crystal data top

[CdI₂(C₁₂H₁₂N₂)(C₃H₇NO)]	F(000) = 1168
M_r = 623.54	D_x = 2.083 Mg m⁻³
Monoclinic, P2₁/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 12059 reflections
a = 8.6103 (6) Å	θ = 2.4–26.0°
b = 15.1325 (8) Å	µ = 4.21 mm⁻¹
c = 15.4263 (10) Å	T = 298 K
β = 98.347 (5)°	Prism, colorless
V = 1988.7 (2) Å³	0.45 × 0.40 × 0.35 mm
Z = 4

Data collection top

Bruker APEXII CCD area-detector diffractometer	3907 independent reflections
Radiation source: fine-focus sealed tube	2859 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.052
ω scans	θ_max = 26.0°, θ_min = 2.4°
Absorption correction: multi-scan (SADABS; Bruker, 2001)	h = −10→9
T_min = 0.188, T_max = 0.223	k = −18→17
12059 measured reflections	l = −19→19

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)] = 0.040	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.084	H-atom parameters constrained
S = 0.98	w = 1/[σ²(F_o²) + (0.0426P)²] where P = (F_o² + 2F_c²)/3
3907 reflections	(Δ/σ)_max = 0.007
199 parameters	Δρ_max = 0.85 e Å⁻³
0 restraints	Δρ_min = −1.08 e Å⁻³

Crystal data top

[CdI₂(C₁₂H₁₂N₂)(C₃H₇NO)]	V = 1988.7 (2) Å³
M_r = 623.54	Z = 4
Monoclinic, P2₁/c	Mo Kα radiation
a = 8.6103 (6) Å	µ = 4.21 mm⁻¹
b = 15.1325 (8) Å	T = 298 K
c = 15.4263 (10) Å	0.45 × 0.40 × 0.35 mm
β = 98.347 (5)°

Data collection top

Bruker APEXII CCD area-detector diffractometer	3907 independent reflections
Absorption correction: multi-scan (SADABS; Bruker, 2001)	2859 reflections with I > 2σ(I)
T_min = 0.188, T_max = 0.223	R_int = 0.052
12059 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.040	0 restraints
wR(F²) = 0.084	H-atom parameters constrained
S = 0.98	Δρ_max = 0.85 e Å⁻³
3907 reflections	Δρ_min = −1.08 e Å⁻³
199 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
C1	0.8789 (8)	−0.0736 (4)	0.0980 (3)	0.0488 (15)
H1	0.9275	−0.0965	0.1510	0.059*
C2	0.9026 (7)	−0.1170 (4)	0.0221 (4)	0.0477 (15)
H2	0.9664	−0.1668	0.0242	0.057*
C3	0.8286 (7)	−0.0843 (4)	−0.0571 (3)	0.0444 (14)
C4	0.8494 (9)	−0.1285 (5)	−0.1415 (4)	0.0619 (19)
H4A	0.8981	−0.0881	−0.1774	0.074*
H4B	0.7488	−0.1460	−0.1719	0.074*
H4C	0.9147	−0.1797	−0.1295	0.074*
C5	0.7387 (7)	−0.0090 (4)	−0.0555 (3)	0.0404 (14)
H5	0.6901	0.0149	−0.1080	0.049*
C6	0.7189 (7)	0.0318 (4)	0.0225 (3)	0.0353 (12)
C7	0.6243 (6)	0.1118 (4)	0.0260 (3)	0.0346 (12)
C8	0.5479 (7)	0.1536 (4)	−0.0481 (3)	0.0412 (14)
H8	0.5560	0.1305	−0.1031	0.049*
C9	0.4610 (8)	0.2282 (4)	−0.0416 (4)	0.0500 (16)
C10	0.3786 (10)	0.2740 (5)	−0.1238 (4)	0.070 (2)
H10A	0.3051	0.2340	−0.1559	0.083*
H10B	0.4550	0.2917	−0.1600	0.083*
H10C	0.3238	0.3252	−0.1074	0.083*
C11	0.4523 (8)	0.2614 (5)	0.0406 (4)	0.0552 (17)
H11	0.3936	0.3118	0.0477	0.066*
C12	0.5324 (8)	0.2183 (5)	0.1124 (4)	0.0546 (17)
H12	0.5279	0.2417	0.1677	0.066*
C13	1.0539 (9)	−0.0020 (5)	0.3557 (4)	0.0620 (19)
H13	1.0829	0.0570	0.3635	0.074*
C14	1.0840 (14)	−0.1519 (7)	0.4055 (6)	0.116 (4)
H14A	1.1070	−0.1741	0.3504	0.140*
H14B	0.9743	−0.1597	0.4087	0.140*
H14C	1.1450	−0.1836	0.4525	0.140*
C15	1.2436 (9)	−0.0323 (6)	0.4837 (4)	0.077 (3)
H15A	1.2016	0.0111	0.5193	0.092*
H15B	1.3308	−0.0074	0.4597	0.092*
H15C	1.2782	−0.0828	0.5188	0.092*
N1	0.7921 (6)	−0.0018 (3)	0.1005 (3)	0.0413 (12)
N2	0.6153 (6)	0.1455 (3)	0.1065 (3)	0.0408 (12)
N3	1.1228 (6)	−0.0590 (4)	0.4127 (3)	0.0526 (14)
O1	0.9541 (6)	−0.0201 (4)	0.2930 (3)	0.0708 (15)
Cd1	0.74180 (5)	0.06619 (3)	0.22889 (2)	0.04265 (13)
I1	0.51473 (6)	−0.03208 (3)	0.29304 (2)	0.05923 (15)
I2	0.84760 (6)	0.21673 (3)	0.32035 (3)	0.06213 (16)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
C1	0.066 (4)	0.042 (4)	0.035 (3)	0.010 (3)	−0.003 (3)	0.003 (2)
C2	0.051 (4)	0.045 (4)	0.047 (3)	0.010 (3)	0.006 (3)	−0.002 (3)
C3	0.046 (3)	0.047 (4)	0.041 (3)	−0.004 (3)	0.008 (2)	−0.006 (2)
C4	0.082 (5)	0.059 (5)	0.047 (3)	0.011 (4)	0.016 (3)	−0.012 (3)
C5	0.049 (4)	0.046 (4)	0.025 (2)	0.001 (3)	0.004 (2)	0.001 (2)
C6	0.038 (3)	0.039 (3)	0.028 (2)	−0.006 (3)	0.001 (2)	−0.001 (2)
C7	0.040 (3)	0.034 (3)	0.029 (2)	−0.002 (3)	0.001 (2)	0.001 (2)
C8	0.052 (4)	0.043 (4)	0.026 (2)	0.004 (3)	0.000 (2)	0.002 (2)
C9	0.062 (4)	0.047 (4)	0.038 (3)	0.002 (3)	−0.003 (3)	0.007 (2)
C10	0.090 (6)	0.066 (5)	0.050 (3)	0.028 (4)	0.000 (3)	0.015 (3)
C11	0.063 (4)	0.044 (4)	0.057 (4)	0.015 (3)	0.000 (3)	−0.001 (3)
C12	0.069 (5)	0.052 (4)	0.043 (3)	0.008 (4)	0.007 (3)	−0.009 (3)
C13	0.063 (5)	0.062 (5)	0.057 (4)	−0.001 (4)	−0.004 (3)	0.011 (3)
C14	0.162 (11)	0.083 (7)	0.085 (6)	−0.012 (7)	−0.044 (7)	0.003 (5)
C15	0.067 (5)	0.115 (7)	0.042 (3)	−0.008 (5)	−0.012 (3)	0.009 (4)
N1	0.048 (3)	0.044 (3)	0.029 (2)	0.001 (2)	−0.0041 (19)	0.0007 (19)
N2	0.047 (3)	0.044 (3)	0.031 (2)	0.000 (2)	0.0004 (19)	−0.0054 (19)
N3	0.058 (3)	0.067 (4)	0.029 (2)	0.004 (3)	−0.003 (2)	0.000 (2)
O1	0.077 (4)	0.077 (4)	0.048 (2)	0.011 (3)	−0.025 (2)	−0.007 (2)
Cd1	0.0527 (3)	0.0474 (3)	0.02556 (18)	−0.0051 (2)	−0.00212 (15)	−0.00121 (16)
I1	0.0755 (3)	0.0669 (3)	0.03425 (19)	−0.0214 (2)	0.00443 (18)	0.00662 (17)
I2	0.0806 (3)	0.0571 (3)	0.0446 (2)	−0.0157 (2)	−0.0047 (2)	−0.01291 (18)

Geometric parameters (Å, º) top

C1—N1	1.322 (8)	C10—H10C	0.9600
C1—C2	1.383 (8)	C11—C12	1.380 (8)
C1—H1	0.9300	C11—H11	0.9300
C2—C3	1.385 (8)	C12—N2	1.323 (8)
C2—H2	0.9300	C12—H12	0.9300
C3—C5	1.379 (9)	C13—O1	1.229 (8)
C3—C4	1.498 (8)	C13—N3	1.310 (8)
C4—H4A	0.9600	C13—H13	0.9300
C4—H4B	0.9600	C14—N3	1.445 (11)
C4—H4C	0.9600	C14—H14A	0.9600
C5—C6	1.384 (7)	C14—H14B	0.9600
C5—H5	0.9300	C14—H14C	0.9600
C6—N1	1.373 (6)	C15—N3	1.454 (8)
C6—C7	1.464 (8)	C15—H15A	0.9600
C7—N2	1.355 (6)	C15—H15B	0.9600
C7—C8	1.386 (7)	C15—H15C	0.9600
C8—C9	1.367 (9)	Cd1—N1	2.327 (4)
C8—H8	0.9300	Cd1—N2	2.365 (4)
C9—C11	1.377 (9)	Cd1—O1	2.345 (5)
C9—C10	1.527 (8)	Cd1—I1	2.7523 (7)
C10—H10A	0.9600	Cd1—I2	2.7635 (6)
C10—H10B	0.9600

N1—C1—C2	124.6 (5)	N2—C12—C11	123.4 (5)
N1—C1—H1	117.7	N2—C12—H12	118.3
C2—C1—H1	117.7	C11—C12—H12	118.3
C1—C2—C3	118.1 (6)	O1—C13—N3	125.3 (7)
C1—C2—H2	120.9	O1—C13—H13	117.3
C3—C2—H2	120.9	N3—C13—H13	117.3
C5—C3—C2	117.8 (5)	N3—C14—H14A	109.5
C5—C3—C4	121.6 (5)	N3—C14—H14B	109.5
C2—C3—C4	120.6 (6)	H14A—C14—H14B	109.5
C3—C4—H4A	109.5	N3—C14—H14C	109.5
C3—C4—H4B	109.5	H14A—C14—H14C	109.5
H4A—C4—H4B	109.5	H14B—C14—H14C	109.5
C3—C4—H4C	109.5	N3—C15—H15A	109.5
H4A—C4—H4C	109.5	N3—C15—H15B	109.5
H4B—C4—H4C	109.5	H15A—C15—H15B	109.5
C3—C5—C6	121.7 (5)	N3—C15—H15C	109.5
C3—C5—H5	119.2	H15A—C15—H15C	109.5
C6—C5—H5	119.2	H15B—C15—H15C	109.5
N1—C6—C5	119.9 (5)	C1—N1—C6	117.9 (5)
N1—C6—C7	117.4 (4)	C1—N1—Cd1	124.4 (3)
C5—C6—C7	122.7 (5)	C6—N1—Cd1	117.6 (4)
N2—C7—C8	120.0 (5)	C12—N2—C7	118.7 (5)
N2—C7—C6	116.8 (4)	C12—N2—Cd1	123.9 (4)
C8—C7—C6	123.1 (5)	C7—N2—Cd1	117.4 (4)
C9—C8—C7	121.1 (5)	C13—N3—C14	120.8 (6)
C9—C8—H8	119.5	C13—N3—C15	121.7 (7)
C7—C8—H8	119.5	C14—N3—C15	117.4 (6)
C8—C9—C11	118.2 (5)	C13—O1—Cd1	128.4 (5)
C8—C9—C10	120.5 (5)	N1—Cd1—O1	83.23 (16)
C11—C9—C10	121.3 (6)	N1—Cd1—N2	70.51 (16)
C9—C10—H10A	109.5	O1—Cd1—N2	149.27 (18)
C9—C10—H10B	109.5	N1—Cd1—I1	107.25 (13)
H10A—C10—H10B	109.5	O1—Cd1—I1	95.65 (14)
C9—C10—H10C	109.5	N2—Cd1—I1	106.98 (12)
H10A—C10—H10C	109.5	N1—Cd1—I2	135.29 (13)
H10B—C10—H10C	109.5	O1—Cd1—I2	93.72 (12)
C9—C11—C12	118.7 (6)	N2—Cd1—I2	93.95 (12)
C9—C11—H11	120.7	I1—Cd1—I2	117.42 (2)
C12—C11—H11	120.7

N1—C1—C2—C3	−1.1 (11)	C6—C7—N2—C12	179.2 (6)
C1—C2—C3—C5	1.5 (9)	C8—C7—N2—Cd1	177.8 (4)
C1—C2—C3—C4	−179.9 (6)	C6—C7—N2—Cd1	−3.2 (6)
C2—C3—C5—C6	−1.6 (9)	O1—C13—N3—C14	−0.2 (13)
C4—C3—C5—C6	179.8 (6)	O1—C13—N3—C15	178.0 (7)
C3—C5—C6—N1	1.1 (9)	N3—C13—O1—Cd1	147.5 (6)
C3—C5—C6—C7	179.9 (6)	C1—N1—Cd1—O1	16.0 (5)
N1—C6—C7—N2	−0.8 (8)	C6—N1—Cd1—O1	−168.1 (4)
C5—C6—C7—N2	−179.6 (5)	C1—N1—Cd1—N2	179.8 (6)
N1—C6—C7—C8	178.2 (5)	C6—N1—Cd1—N2	−4.4 (4)
C5—C6—C7—C8	−0.6 (9)	C1—N1—Cd1—I1	−77.8 (5)
N2—C7—C8—C9	−0.9 (9)	C6—N1—Cd1—I1	98.0 (4)
C6—C7—C8—C9	−179.9 (6)	C1—N1—Cd1—I2	104.5 (5)
C7—C8—C9—C11	0.6 (10)	C6—N1—Cd1—I2	−79.7 (4)
C7—C8—C9—C10	179.5 (6)	C13—O1—Cd1—N1	146.2 (7)
C8—C9—C11—C12	0.5 (11)	C13—O1—Cd1—N2	115.2 (6)
C10—C9—C11—C12	−178.4 (7)	C13—O1—Cd1—I1	−107.0 (6)
C9—C11—C12—N2	−1.3 (11)	C13—O1—Cd1—I2	11.0 (6)
C2—C1—N1—C6	0.6 (10)	C12—N2—Cd1—N1	−178.6 (6)
C2—C1—N1—Cd1	176.4 (5)	C7—N2—Cd1—N1	4.0 (4)
C5—C6—N1—C1	−0.6 (8)	C12—N2—Cd1—O1	−145.7 (5)
C7—C6—N1—C1	−179.4 (6)	C7—N2—Cd1—O1	36.9 (6)
C5—C6—N1—Cd1	−176.7 (4)	C12—N2—Cd1—I1	78.7 (5)
C7—C6—N1—Cd1	4.5 (6)	C7—N2—Cd1—I1	−98.8 (4)
C11—C12—N2—C7	0.9 (10)	C12—N2—Cd1—I2	−41.6 (5)
C11—C12—N2—Cd1	−176.5 (5)	C7—N2—Cd1—I2	140.9 (4)
C8—C7—N2—C12	0.2 (9)

Experimental details

Crystal data
Chemical formula	[CdI₂(C₁₂H₁₂N₂)(C₃H₇NO)]
M_r	623.54
Crystal system, space group	Monoclinic, P2₁/c
Temperature (K)	298
a, b, c (Å)	8.6103 (6), 15.1325 (8), 15.4263 (10)
β (°)	98.347 (5)
V (Å³)	1988.7 (2)
Z	4
Radiation type	Mo Kα
µ (mm⁻¹)	4.21
Crystal size (mm)	0.45 × 0.40 × 0.35

Data collection
Diffractometer	Bruker APEXII CCD area-detector diffractometer
Absorption correction	Multi-scan (SADABS; Bruker, 2001)
T_min, T_max	0.188, 0.223
No. of measured, independent and observed [I > 2σ(I)] reflections	12059, 3907, 2859
R_int	0.052
(sin θ/λ)_max (Å⁻¹)	0.617

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.040, 0.084, 0.98
No. of reflections	3907
No. of parameters	199
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	0.85, −1.08

Computer programs: APEX2 (Bruker, 2007), SAINT (Bruker, 2007), SHELXTL (Sheldrick, 2008).

Selected bond lengths (Å) top

Cd1—N1	2.327 (4)	Cd1—I1	2.7523 (7)
Cd1—N2	2.365 (4)	Cd1—I2	2.7635 (6)
Cd1—O1	2.345 (5)

Acknowledgements

We are grateful to the Islamic Azad University, Omidieh Branch, for financial support.

References

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