catena-Poly[[(5,5'-dimethyl-2,2'-bi-pyridine-κN,N')cadmium(II)]-di-μ-iodido].

In the title coordination polymer, [CdI(2)(C(12)H(12)N(2))](n), the Cd(2+) ion lies on a twofold rotation axis: it is six-coordinated in a distorted cis-CdN(2)I(4) octa-hedral geometry by two N atoms from a chelating 5,5'-dimethyl-2,2'-bipyridine ligands and four bridging iodide anions. The bridging function of the iodide ions leads to a chain structure propagating in [001].

Related literature

For related structures, see: Ahmadi et al. (2008 ▶); Albada et al. (2004 ▶); Amani et al. (2007 ▶, 2009 ▶); Chattopadhyay et al. (2008 ▶); Guo et al. (2006 ▶); Kalateh et al. (2008 ▶, 2010 ▶); Khalighi et al. (2008 ▶); Maheshwari et al. (2007 ▶); Tadayon Pour et al. (2008 ▶); Yu et al. (2007 ▶).

Experimental

Crystal data

[CdI2(C12H12N2)]

M = 550.45

Monoclinic,

a = 19.086 (4) Å

b = 10.057 (2) Å

c = 7.8451 (16) Å

β = 101.80 (3)°

V = 1474.0 (5) Å3

Z = 4

Mo Kα radiation

μ = 5.65 mm−1

T = 298 K

0.25 × 0.15 × 0.12 mm

Data collection

Bruker SMART CCD diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 1998 ▶) T min = 0.380, T max = 0.510

8294 measured reflections

1981 independent reflections

1832 reflections with I > 2σ(I)

R int = 0.062

Refinement

R[F 2 > 2σ(F 2)] = 0.037

wR(F 2) = 0.098

S = 1.23

1981 reflections

79 parameters

H-atom parameters constrained

Δρmax = 1.30 e Å−3

Δρmin = −1.43 e Å−3

Data collection: SMART (Bruker, 1998 ▶); cell refinement: SAINT (Bruker, 1998 ▶); 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: WinGX (Farrugia, 1999 ▶).

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536810014091/hb5403sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810014091/hb5403Isup2.hkl

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

[CdI2(C12H12N2)]	F(000) = 1008
Mr = 550.45	Dx = 2.480 Mg m−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2yc	Cell parameters from 351 reflections
a = 19.086 (4) Å	θ = 2.2–29.3°
b = 10.057 (2) Å	µ = 5.65 mm−1
c = 7.8451 (16) Å	T = 298 K
β = 101.80 (3)°	Block, colorless
V = 1474.0 (5) Å3	0.25 × 0.15 × 0.12 mm
Z = 4

Bruker SMART CCD diffractometer	1981 independent reflections
Radiation source: fine-focus sealed tube	1832 reflections with I > 2σ(I)
graphite	Rint = 0.062
phi and ω scans	θmax = 29.3°, θmin = 2.2°
Absorption correction: multi-scan (SADABS; Bruker, 1998)	h = −26→26
Tmin = 0.380, Tmax = 0.510	k = −13→12
8294 measured reflections	l = −10→10

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)] = 0.037	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.098	H-atom parameters constrained
S = 1.23	w = 1/[σ2(Fo2) + (0.0571P)2 + 0.4175P] where P = (Fo2 + 2Fc2)/3
1981 reflections	(Δ/σ)max = 0.037
79 parameters	Δρmax = 1.30 e Å−3
0 restraints	Δρmin = −1.43 e Å−3

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

	x	y	z	Uiso*/Ueq
C1	0.3791 (2)	0.7656 (5)	1.0047 (5)	0.0482 (9)
H1	0.3615	0.6825	0.9652	0.058*
C2	0.3413 (3)	0.8765 (5)	0.9329 (6)	0.0546 (11)
C3	0.2732 (3)	0.8623 (8)	0.7991 (8)	0.0758 (17)
H3A	0.2792	0.9020	0.6917	0.114*
H3B	0.2350	0.9062	0.8395	0.114*
H3C	0.2619	0.7698	0.7807	0.114*
C4	0.3706 (3)	0.9988 (5)	0.9920 (6)	0.0590 (12)
H4	0.3478	1.0767	0.9473	0.071*
C5	0.4327 (3)	1.0059 (5)	1.1151 (6)	0.0545 (10)
H5	0.4521	1.0881	1.1531	0.065*
C6	0.4666 (2)	0.8885 (4)	1.1833 (5)	0.0398 (8)
N1	0.43894 (18)	0.7698 (3)	1.1264 (4)	0.0414 (7)
Cd1	0.5000	0.57933 (4)	1.2500	0.04719 (14)
I1	0.407345 (14)	0.39302 (3)	1.03947 (3)	0.04393 (12)

	U11	U22	U33	U12	U13	U23
C1	0.049 (2)	0.048 (2)	0.0463 (19)	0.0039 (18)	0.0055 (16)	0.0064 (16)
C2	0.050 (2)	0.066 (3)	0.051 (2)	0.013 (2)	0.0171 (18)	0.019 (2)
C3	0.054 (3)	0.100 (5)	0.071 (3)	0.012 (3)	0.005 (2)	0.027 (3)
C4	0.074 (3)	0.049 (3)	0.058 (2)	0.021 (2)	0.023 (2)	0.015 (2)
C5	0.077 (3)	0.035 (2)	0.055 (2)	0.012 (2)	0.023 (2)	0.0084 (17)
C6	0.051 (2)	0.0328 (18)	0.0388 (17)	0.0020 (14)	0.0168 (15)	0.0021 (12)
N1	0.0470 (17)	0.0366 (17)	0.0400 (14)	0.0018 (13)	0.0074 (12)	0.0052 (12)
Cd1	0.0564 (3)	0.0300 (2)	0.0463 (2)	0.000	−0.01021 (18)	0.000
I1	0.04992 (19)	0.03831 (18)	0.04068 (17)	−0.00834 (9)	0.00254 (11)	−0.00433 (8)

C1—N1	1.331 (6)	C5—H5	0.9300
C1—C2	1.384 (6)	C6—N1	1.344 (5)
C1—H1	0.9300	C6—C6i	1.474 (9)
C2—C4	1.391 (8)	Cd1—N1	2.347 (3)
C2—C3	1.501 (8)	Cd1—N1i	2.347 (3)
C3—H3A	0.9600	Cd1—I1	2.8586 (7)
C3—H3B	0.9600	Cd1—I1i	2.8586 (7)
C3—H3C	0.9600	Cd1—I1ii	3.1628 (8)
C4—C5	1.369 (9)	Cd1—I1iii	3.1629 (8)
C4—H4	0.9300	I1—Cd1iii	3.1629 (8)
C5—C6	1.399 (6)
N1—C1—C2	124.4 (5)	C5—C6—C6i	122.5 (3)
N1—C1—H1	117.8	C1—N1—C6	119.2 (4)
C2—C1—H1	117.8	C1—N1—Cd1	123.4 (3)
C1—C2—C4	115.8 (5)	C6—N1—Cd1	117.3 (3)
C1—C2—C3	120.8 (5)	N1i—Cd1—N1	70.55 (18)
C4—C2—C3	123.3 (5)	N1i—Cd1—I1	165.97 (9)
C2—C3—H3A	109.5	N1—Cd1—I1	95.74 (9)
C2—C3—H3B	109.5	N1i—Cd1—I1i	95.74 (9)
H3A—C3—H3B	109.5	N1—Cd1—I1i	165.97 (9)
C2—C3—H3C	109.5	I1—Cd1—I1i	98.09 (3)
H3A—C3—H3C	109.5	N1i—Cd1—I1ii	86.26 (8)
H3B—C3—H3C	109.5	N1—Cd1—I1ii	85.51 (8)
C5—C4—C2	120.9 (4)	I1—Cd1—I1ii	95.844 (16)
C5—C4—H4	119.6	I1i—Cd1—I1ii	90.771 (16)
C2—C4—H4	119.6	N1i—Cd1—I1iii	85.51 (8)
C4—C5—C6	119.4 (5)	N1—Cd1—I1iii	86.26 (8)
C4—C5—H5	120.3	I1—Cd1—I1iii	90.771 (16)
C6—C5—H5	120.3	I1i—Cd1—I1iii	95.842 (16)
N1—C6—C5	120.2 (4)	I1ii—Cd1—I1iii	169.91 (2)
N1—C6—C6i	117.4 (2)	Cd1—I1—Cd1iii	89.229 (16)
N1—C1—C2—C4	1.8 (7)	C6—N1—Cd1—N1i	−0.26 (19)
N1—C1—C2—C3	−178.5 (4)	C1—N1—Cd1—I1	2.9 (3)
C1—C2—C4—C5	−0.7 (7)	C6—N1—Cd1—I1	−177.2 (3)
C3—C2—C4—C5	179.6 (5)	C1—N1—Cd1—I1i	−167.5 (2)
C2—C4—C5—C6	−0.5 (7)	C6—N1—Cd1—I1i	12.3 (5)
C4—C5—C6—N1	0.9 (6)	C1—N1—Cd1—I1ii	−92.5 (3)
C4—C5—C6—C6i	−179.7 (4)	C6—N1—Cd1—I1ii	87.4 (3)
C2—C1—N1—C6	−1.5 (6)	C1—N1—Cd1—I1iii	93.3 (3)
C2—C1—N1—Cd1	178.4 (3)	C6—N1—Cd1—I1iii	−86.8 (3)
C5—C6—N1—C1	0.1 (6)	N1i—Cd1—I1—Cd1iii	74.4 (3)
C6i—C6—N1—C1	−179.4 (4)	N1—Cd1—I1—Cd1iii	86.32 (8)
C5—C6—N1—Cd1	−179.8 (3)	I1i—Cd1—I1—Cd1iii	−96.013 (15)
C6i—C6—N1—Cd1	0.7 (5)	I1ii—Cd1—I1—Cd1iii	172.370 (15)
C1—N1—Cd1—N1i	179.8 (4)	I1iii—Cd1—I1—Cd1iii	0.0

Table 1

Selected bond lengths (Å)

Cd1—N1	2.347 (3)
Cd1—I1	2.8586 (7)
Cd1—I1i	3.1628 (8)

Symmetry code: (i) .