catena-Poly[[dichloridonickel(II)]-μ-1,3-di-4-pyridylpropane].

The title compound, [NiCl(2)(C(13)H(14)N(2))](n), is a one-dimensional polymer built up from alternating NiCl(2) units and bridging 1,3-di-4-pyridylpropane ligands. The Ni atom has a distorted tetra-hedral coordination formed by the Cl atoms and two N atoms from two ligands. A mirror plane pases through the central methylene group of the propyl chain.

Related literature

For a closely related structure, see: Zhang & Yu (2007 ▶). For related literature, see: Carlucci et al. (2002 ▶); Hennigar et al. (1997 ▶); Yaghi et al. (1998 ▶); Dalbavie et al. (2002 ▶); Ghosh et al. (2006 ▶); Marshall & Grushin (2005 ▶); Masood et al. (1994 ▶); McConnell & Nuttall (1978 ▶); Wu et al. (1999 ▶).

Experimental

Crystal data

[NiCl2(C13H14N2)]

M = 327.87

Monoclinic,

a = 5.1928 (17) Å

b = 12.972 (4) Å

c = 10.492 (3) Å

β = 93.588 (6)°

V = 705.3 (4) Å3

Z = 2

Mo Kα radiation

μ = 1.74 mm−1

T = 298 (2) K

0.25 × 0.20 × 0.16 mm

Data collection

Bruker APEX area-detector diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.671, T max = 0.769

3581 measured reflections

1328 independent reflections

763 reflections with I > 2σ(I)

R int = 0.046

Refinement

R[F 2 > 2σ(F 2)] = 0.038

wR(F 2) = 0.067

S = 0.87

1328 reflections

88 parameters

H-atom parameters constrained

Δρmax = 0.44 e Å−3

Δρmin = −0.44 e Å−3

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

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536808018862/dn2360sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808018862/dn2360Isup2.hkl

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

[NiCl2(C13H14N2)]	F000 = 336
Mr = 327.87	Dx = 1.544 Mg m−3
Monoclinic, P21/m	Mo Kα radiation λ = 0.71073 Å
Hall symbol: -P 2yb	Cell parameters from 1328 reflections
a = 5.1928 (17) Å	θ = 2.5–25.2º
b = 12.972 (4) Å	µ = 1.74 mm−1
c = 10.492 (3) Å	T = 298 (2) K
β = 93.588 (6)º	Bloc, green
V = 705.3 (4) Å3	0.25 × 0.20 × 0.16 mm
Z = 2

Bruker APEX area-detector diffractometer	1328 independent reflections
Radiation source: fine-focus sealed tube	763 reflections with I > 2σ(I)
Monochromator: graphite	Rint = 0.046
T = 298(2) K	θmax = 25.2º
φ and ω scans	θmin = 2.5º
Absorption correction: multi-scan(SADABS; Sheldrick, 1996)	h = −6→5
Tmin = 0.671, Tmax = 0.769	k = −13→15
3581 measured reflections	l = −12→12

Refinement on F2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.038	H-atom parameters constrained
wR(F2) = 0.067	w = 1/[σ2(Fo2) + (0.009P)2 + 0.821P] where P = (Fo2 + 2Fc2)/3
S = 0.87	(Δ/σ)max < 0.001
1328 reflections	Δρmax = 0.44 e Å−3
88 parameters	Δρmin = −0.44 e Å−3
Primary atom site location: structure-invariant direct methods	Extinction correction: none

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.

	x	y	z	Uiso*/Ueq
Ni1	0.45214 (16)	0.7500	0.22234 (6)	0.0554 (3)
Cl1	0.7422 (3)	0.7500	0.39091 (12)	0.0566 (4)
Cl2	0.5444 (3)	0.7500	0.01676 (12)	0.0654 (5)
N1	0.2418 (6)	0.6191 (2)	0.2414 (3)	0.0443 (8)
C1	0.2869 (7)	0.5560 (3)	0.3416 (3)	0.0501 (10)
H1	0.4209	0.5719	0.4013	0.060*
C3	−0.0579 (7)	0.4430 (3)	0.2738 (3)	0.0445 (10)
C5	0.0501 (8)	0.5930 (3)	0.1581 (3)	0.0555 (11)
H5	0.0171	0.6349	0.0871	0.067*
C4	−0.1015 (8)	0.5079 (3)	0.1707 (3)	0.0546 (11)
H4	−0.2344	0.4939	0.1097	0.066*
C2	0.1436 (8)	0.4690 (3)	0.3594 (3)	0.0521 (11)
H2	0.1827	0.4271	0.4300	0.063*
C7	−0.0598 (10)	0.2500	0.2643 (4)	0.0462 (14)
H7A	−0.0175	0.2500	0.1755	0.055*
H7B	0.1005	0.2500	0.3169	0.055*
C6	−0.2131 (7)	0.3473 (3)	0.2915 (3)	0.0521 (11)
H6A	−0.3677	0.3495	0.2347	0.063*
H6B	−0.2658	0.3448	0.3786	0.063*

	U11	U22	U33	U12	U13	U23
Ni1	0.0726 (7)	0.0426 (4)	0.0503 (4)	0.000	−0.0005 (4)	0.000
Cl1	0.0671 (12)	0.0479 (8)	0.0534 (8)	0.000	−0.0083 (7)	0.000
Cl2	0.0733 (13)	0.0780 (10)	0.0444 (8)	0.000	−0.0006 (7)	0.000
N1	0.052 (2)	0.0332 (17)	0.0466 (17)	0.0034 (16)	−0.0023 (16)	−0.0024 (14)
C1	0.050 (3)	0.047 (2)	0.052 (2)	0.003 (2)	−0.0080 (19)	0.0003 (19)
C3	0.049 (3)	0.030 (2)	0.055 (2)	0.006 (2)	0.003 (2)	−0.0070 (17)
C5	0.070 (3)	0.042 (2)	0.053 (2)	0.003 (2)	−0.009 (2)	0.0027 (19)
C4	0.062 (3)	0.047 (2)	0.052 (2)	0.001 (2)	−0.014 (2)	−0.0052 (19)
C2	0.066 (3)	0.039 (2)	0.050 (2)	0.005 (2)	−0.007 (2)	0.0072 (18)
C7	0.054 (4)	0.034 (3)	0.051 (3)	0.000	0.000 (3)	0.000
C6	0.046 (3)	0.043 (2)	0.068 (3)	−0.001 (2)	0.004 (2)	−0.0085 (19)

Ni1—N1	2.036 (3)	C5—C4	1.366 (5)
Ni1—N1i	2.036 (3)	C5—H5	0.9300
Ni1—Cl2	2.2384 (16)	C4—H4	0.9300
Ni1—Cl1	2.2503 (16)	C2—H2	0.9300
N1—C5	1.327 (4)	C7—C6ii	1.529 (4)
N1—C1	1.341 (4)	C7—C6	1.529 (4)
C1—C2	1.372 (5)	C7—H7A	0.9700
C1—H1	0.9300	C7—H7B	0.9700
C3—C2	1.377 (5)	C6—H6A	0.9700
C3—C4	1.378 (4)	C6—H6B	0.9700
C3—C6	1.499 (5)
N1—Ni1—N1i	113.06 (17)	C5—C4—C3	120.1 (4)
N1—Ni1—Cl2	104.07 (8)	C5—C4—H4	119.9
N1i—Ni1—Cl2	104.07 (8)	C3—C4—H4	119.9
N1—Ni1—Cl1	105.05 (9)	C1—C2—C3	120.5 (3)
N1i—Ni1—Cl1	105.05 (9)	C1—C2—H2	119.7
Cl2—Ni1—Cl1	125.74 (7)	C3—C2—H2	119.7
C5—N1—C1	116.6 (3)	C6ii—C7—C6	111.3 (4)
C5—N1—Ni1	122.2 (2)	C6ii—C7—H7A	109.4
C1—N1—Ni1	121.1 (3)	C6—C7—H7A	109.4
N1—C1—C2	122.6 (3)	C6ii—C7—H7B	109.4
N1—C1—H1	118.7	C6—C7—H7B	109.4
C2—C1—H1	118.7	H7A—C7—H7B	108.0
C2—C3—C4	116.3 (4)	C3—C6—C7	111.7 (3)
C2—C3—C6	120.9 (3)	C3—C6—H6A	109.3
C4—C3—C6	122.7 (4)	C7—C6—H6A	109.3
N1—C5—C4	123.7 (3)	C3—C6—H6B	109.3
N1—C5—H5	118.1	C7—C6—H6B	109.3
C4—C5—H5	118.1	H6A—C6—H6B	107.9