catena-Poly[[diaqua-(1H-imidazo[4,5-f][1,10]phenanthroline)cobalt(II)]-μ-sulfato].

The Co(II) ion in the title complex, [Co(SO(4))(C(13)H(8)N(4))(H(2)O)(2)](n), has a slightly distorted octa-hedral coordination environment formed by two O atoms from two symmetry-related bridging sulfate ligands, two N atoms from a bis-chelating 1H-imidazo[4,5-f][1,10]phenanthroline (IPL) ligand and two O atoms from coordinated water mol-ecules. The bridging sulfate ligands connect Co(II) ions to form a one-dimensional chain along the b-axis direction. In the crystal structure, inter-molecular O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonds link the chains into a three-dimensional network.

Related literature

For general background on coordination polymers, see: Ghosh et al. (2004 ▶). For related n class="Chemical">IPL coordination complexes, see: Xiong et al. (1999 ▶). For related structures of coordination polymers, see: Liu et al. (2008 ▶).

Experimental

Crystal data

[Co(SO4)(C13H8N4)(H2O)2]

M = 411.26

Monoclinic,

a = 10.916 (4) Å

b = 7.017 (2) Å

c = 19.690 (7) Å

β = 99.353 (7)°

V = 1488.2 (9) Å3

Z = 4

Mo Kα radiation

μ = 1.34 mm−1

T = 298 K

0.27 × 0.15 × 0.10 mm

Data collection

Bruker APEXII area-detector diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2004 ▶) T min = 0.714, T max = 0.878

7263 measured reflections

2639 independent reflections

1216 reflections with I > 2σ(I)

R int = 0.108

Refinement

R[F 2 > 2σ(F 2)] = 0.063

wR(F 2) = 0.100

S = 1.24

2639 reflections

242 parameters

16 restraints

H atoms treated by a mixture of independent and constrained refinement

Δρmax = 0.53 e Å−3

Δρmin = −0.80 e Å−3

Data collection: APEX2 (Bruker, 2004 ▶); cell refinement: SAINT (Bruker, 2004 ▶); data reduction: SAIn class="Chemical">NT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL (Sheldrick, 2008 ▶) and PLATON (Spek, 2009 ▶); software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536809016419/lh2814sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809016419/lh2814Isup2.hkl

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

[Co(SO4)(C13H8N4)(H2O)2]	F(000) = 836
Mr = 411.26	Dx = 1.835 Mg m−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 2639 reflections
a = 10.916 (4) Å	θ = 2.1–25.1°
b = 7.017 (2) Å	µ = 1.34 mm−1
c = 19.690 (7) Å	T = 298 K
β = 99.353 (7)°	Block, pink
V = 1488.2 (9) Å3	0.27 × 0.15 × 0.10 mm
Z = 4

Bruker APEXII area-detector diffractometer	2639 independent reflections
Radiation source: fine-focus sealed tube	1216 reflections with I > 2σ(I)
graphite	Rint = 0.108
φ and ω scans	θmax = 25.1°, θmin = 2.1°
Absorption correction: multi-scan (SADABS; Bruker, 2004)	h = −13→11
Tmin = 0.714, Tmax = 0.878	k = −7→8
7263 measured reflections	l = −22→23

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)] = 0.063	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.100	H atoms treated by a mixture of independent and constrained refinement
S = 1.24	w = 1/[σ2(Fo2) + 0.5747P] where P = (Fo2 + 2Fc2)/3
2639 reflections	(Δ/σ)max < 0.001
242 parameters	Δρmax = 0.53 e Å−3
16 restraints	Δρmin = −0.80 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 > 2sigma(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
Co1	0.34886 (10)	0.82399 (16)	0.17466 (5)	0.0429 (4)
S1	0.56896 (17)	0.4999 (3)	0.16741 (9)	0.0274 (5)
N1	0.1702 (5)	0.6658 (8)	0.1762 (3)	0.0245 (14)
N2	0.2484 (5)	0.8137 (8)	0.0647 (2)	0.0250 (14)
N3	−0.2426 (5)	0.6042 (7)	0.0324 (3)	0.0267 (16)
H3A	−0.2918	0.5566	0.0579	0.032*
N4	−0.1771 (5)	0.7193 (8)	−0.0599 (2)	0.0291 (16)
O1	0.2408 (5)	1.0847 (8)	0.1803 (2)	0.0445 (15)
O2	0.5124 (5)	0.9751 (8)	0.1509 (3)	0.0412 (14)
O3	0.4411 (4)	0.5535 (6)	0.1725 (2)	0.0350 (14)
O4	0.5748 (4)	0.4383 (7)	0.09768 (19)	0.0386 (14)
O5	0.6524 (4)	0.6627 (7)	0.18635 (19)	0.0323 (12)
O6	0.6059 (4)	0.3399 (6)	0.21441 (19)	0.0307 (12)
C1	0.1378 (7)	0.5856 (9)	0.2311 (3)	0.031 (2)
H1A	0.1966	0.5749	0.2708	0.037*
C2	0.0173 (7)	0.5157 (10)	0.2320 (3)	0.0332 (19)
H2A	−0.0017	0.4581	0.2715	0.040*
C3	−0.0704 (7)	0.5316 (10)	0.1759 (3)	0.034 (2)
H3	−0.1503	0.4864	0.1764	0.041*
C4	−0.0385 (6)	0.6200 (9)	0.1152 (3)	0.0238 (18)
C5	−0.1175 (6)	0.6462 (10)	0.0526 (3)	0.0265 (18)
C6	−0.2719 (6)	0.6509 (10)	−0.0334 (3)	0.0278 (18)
H6	−0.3512	0.6371	−0.0585	0.033*
C7	−0.0817 (6)	0.7170 (10)	−0.0066 (3)	0.0254 (18)
C8	0.0452 (6)	0.7759 (9)	−0.0039 (3)	0.0216 (18)
C9	0.0918 (7)	0.8457 (9)	−0.0621 (3)	0.0286 (18)
H9	0.0403	0.8592	−0.1043	0.034*
C10	0.2155 (7)	0.8930 (10)	−0.0542 (3)	0.036 (2)
H10	0.2491	0.9375	−0.0917	0.043*
C11	0.2904 (7)	0.8744 (9)	0.0098 (3)	0.032 (2)
H11	0.3740	0.9063	0.0138	0.039*
C12	0.1267 (6)	0.7589 (9)	0.0569 (3)	0.0226 (18)
C13	0.0858 (6)	0.6824 (10)	0.1185 (3)	0.0237 (17)
H1B	0.213 (6)	1.151 (9)	0.146 (2)	0.052 (12)*
H2B	0.549 (6)	1.076 (5)	0.159 (3)	0.041 (7)*
H1C	0.291 (5)	1.130 (10)	0.212 (2)	0.049 (9)*
H2C	0.570 (4)	0.898 (7)	0.160 (3)	0.041 (7)*

	U11	U22	U33	U12	U13	U23
Co1	0.0385 (7)	0.0469 (8)	0.0425 (6)	0.0000 (7)	0.0044 (5)	−0.0012 (6)
S1	0.0247 (11)	0.0297 (13)	0.0272 (10)	0.0014 (11)	0.0024 (8)	−0.0027 (10)
N1	0.025 (4)	0.023 (4)	0.025 (3)	0.001 (3)	0.002 (3)	0.001 (3)
N2	0.028 (4)	0.023 (4)	0.025 (3)	0.002 (3)	0.008 (3)	−0.002 (3)
N3	0.020 (4)	0.037 (4)	0.025 (3)	−0.005 (3)	0.007 (3)	−0.001 (3)
N4	0.028 (4)	0.028 (4)	0.029 (3)	0.005 (3)	−0.001 (3)	0.004 (3)
O1	0.052 (4)	0.041 (4)	0.036 (4)	0.018 (3)	−0.008 (3)	0.007 (3)
O2	0.031 (4)	0.027 (4)	0.067 (4)	−0.004 (3)	0.013 (3)	0.006 (3)
O3	0.022 (3)	0.029 (4)	0.053 (3)	0.006 (3)	0.002 (3)	0.000 (2)
O4	0.040 (3)	0.054 (4)	0.023 (3)	−0.009 (3)	0.009 (3)	−0.005 (2)
O5	0.025 (3)	0.031 (3)	0.039 (3)	−0.005 (3)	−0.002 (2)	0.002 (3)
O6	0.035 (3)	0.026 (3)	0.027 (2)	0.004 (3)	−0.007 (2)	0.004 (2)
C1	0.042 (5)	0.027 (5)	0.020 (4)	0.001 (4)	−0.007 (4)	0.002 (3)
C2	0.036 (5)	0.035 (5)	0.031 (4)	−0.003 (5)	0.010 (4)	0.004 (4)
C3	0.033 (5)	0.042 (6)	0.029 (4)	0.005 (4)	0.012 (4)	−0.003 (4)
C4	0.025 (4)	0.011 (5)	0.034 (4)	0.003 (4)	0.003 (4)	−0.006 (3)
C5	0.023 (4)	0.025 (5)	0.031 (4)	−0.001 (4)	0.003 (4)	−0.006 (4)
C6	0.024 (4)	0.024 (5)	0.034 (4)	0.009 (4)	−0.002 (4)	−0.002 (4)
C7	0.022 (4)	0.021 (5)	0.032 (4)	0.001 (4)	0.002 (4)	0.004 (4)
C8	0.018 (4)	0.016 (5)	0.029 (4)	0.000 (3)	−0.001 (3)	−0.002 (3)
C9	0.035 (5)	0.018 (5)	0.032 (4)	0.002 (4)	0.001 (4)	−0.001 (4)
C10	0.051 (6)	0.036 (6)	0.028 (4)	−0.002 (4)	0.025 (4)	−0.002 (4)
C11	0.030 (5)	0.033 (5)	0.036 (5)	0.000 (4)	0.012 (4)	0.005 (4)
C12	0.023 (5)	0.021 (5)	0.024 (4)	0.005 (4)	0.005 (4)	0.000 (3)
C13	0.029 (4)	0.015 (4)	0.027 (4)	0.003 (4)	0.004 (3)	−0.003 (4)

Co1—O3	2.152 (4)	O2—H2C	0.83 (5)
Co1—O6i	2.162 (4)	O6—Co1ii	2.162 (4)
Co1—O2	2.192 (5)	C1—C2	1.406 (9)
Co1—O1	2.190 (5)	C1—H1A	0.9300
Co1—N1	2.249 (5)	C2—C3	1.343 (8)
Co1—N2	2.263 (5)	C2—H2A	0.9300
S1—O4	1.451 (4)	C3—C4	1.438 (8)
S1—O3	1.465 (4)	C3—H3	0.9300
S1—O6	1.469 (4)	C4—C5	1.397 (8)
S1—O5	1.471 (5)	C4—C13	1.417 (9)
N1—C1	1.317 (7)	C5—C7	1.382 (8)
N1—C13	1.347 (7)	C6—H6	0.9300
N2—C11	1.312 (7)	C7—C8	1.438 (8)
N2—C12	1.368 (7)	C8—C12	1.375 (8)
N3—C6	1.325 (7)	C8—C9	1.414 (8)
N3—C5	1.391 (7)	C9—C10	1.374 (9)
N3—H3A	0.8600	C9—H9	0.9300
N4—C6	1.322 (7)	C10—C11	1.393 (9)
N4—C7	1.353 (8)	C10—H10	0.9300
O1—H1B	0.84 (5)	C11—H11	0.9300
O1—H1C	0.82 (5)	C12—C13	1.462 (8)
O2—H2B	0.82 (5)
O3—Co1—O6i	91.96 (17)	N1—C1—C2	122.4 (7)
O3—Co1—O2	91.30 (19)	N1—C1—H1A	118.8
O6i—Co1—O2	97.5 (2)	C2—C1—H1A	118.8
O3—Co1—O1	174.6 (2)	C3—C2—C1	120.3 (7)
O6i—Co1—O1	86.69 (17)	C3—C2—H2A	119.8
O2—Co1—O1	94.1 (2)	C1—C2—H2A	119.8
O3—Co1—N1	88.53 (18)	C2—C3—C4	118.8 (7)
O6i—Co1—N1	93.88 (18)	C2—C3—H3	120.6
O2—Co1—N1	168.6 (2)	C4—C3—H3	120.6
O1—Co1—N1	86.3 (2)	C5—C4—C13	116.6 (6)
O3—Co1—N2	96.26 (18)	C5—C4—C3	126.3 (6)
O6i—Co1—N2	164.44 (18)	C13—C4—C3	117.0 (6)
O2—Co1—N2	95.5 (2)	C7—C5—N3	103.5 (6)
O1—Co1—N2	83.90 (18)	C7—C5—C4	125.0 (7)
N1—Co1—N2	73.20 (19)	N3—C5—C4	131.4 (6)
O4—S1—O3	109.3 (3)	N4—C6—N3	113.4 (6)
O4—S1—O6	108.6 (3)	N4—C6—H6	123.3
O3—S1—O6	108.7 (3)	N3—C6—H6	123.3
O4—S1—O5	110.5 (3)	N4—C7—C5	111.8 (6)
O3—S1—O5	109.9 (3)	N4—C7—C8	129.9 (6)
O6—S1—O5	109.8 (3)	C5—C7—C8	118.3 (7)
C1—N1—C13	119.4 (6)	C12—C8—C9	117.9 (6)
C1—N1—Co1	124.9 (5)	C12—C8—C7	119.4 (6)
C13—N1—Co1	114.9 (4)	C9—C8—C7	122.7 (6)
C11—N2—C12	117.5 (6)	C10—C9—C8	118.0 (6)
C11—N2—Co1	126.7 (5)	C10—C9—H9	121.0
C12—N2—Co1	115.3 (4)	C8—C9—H9	121.0
C6—N3—C5	107.3 (5)	C9—C10—C11	120.0 (6)
C6—N3—H3A	126.4	C9—C10—H10	120.0
C5—N3—H3A	126.4	C11—C10—H10	120.0
C6—N4—C7	104.1 (5)	N2—C11—C10	122.9 (7)
Co1—O1—H1B	124 (5)	N2—C11—H11	118.5
Co1—O1—H1C	94 (5)	C10—C11—H11	118.5
H1B—O1—H1C	121 (7)	N2—C12—C8	123.5 (6)
Co1—O2—H2B	140 (5)	N2—C12—C13	115.6 (6)
Co1—O2—H2C	105 (5)	C8—C12—C13	120.9 (6)
H2B—O2—H2C	101 (7)	N1—C13—C4	122.0 (6)
S1—O3—Co1	133.0 (3)	N1—C13—C12	118.2 (6)
S1—O6—Co1ii	132.0 (3)	C4—C13—C12	119.7 (6)
O3—Co1—N1—C1	79.0 (5)	C13—C4—C5—N3	−179.2 (7)
O6i—Co1—N1—C1	−12.9 (5)	C3—C4—C5—N3	2.5 (12)
O2—Co1—N1—C1	168.3 (9)	C7—N4—C6—N3	−0.6 (8)
O1—Co1—N1—C1	−99.3 (5)	C5—N3—C6—N4	0.7 (8)
N2—Co1—N1—C1	175.9 (6)	C6—N4—C7—C5	0.4 (8)
O3—Co1—N1—C13	−111.3 (5)	C6—N4—C7—C8	−179.5 (7)
O6i—Co1—N1—C13	156.9 (5)	N3—C5—C7—N4	0.0 (8)
O2—Co1—N1—C13	−22.0 (13)	C4—C5—C7—N4	177.6 (6)
O1—Co1—N1—C13	70.4 (5)	N3—C5—C7—C8	179.9 (6)
N2—Co1—N1—C13	−14.3 (4)	C4—C5—C7—C8	−2.5 (11)
O3—Co1—N2—C11	−88.4 (6)	N4—C7—C8—C12	−179.6 (7)
O6i—Co1—N2—C11	150.2 (7)	C5—C7—C8—C12	0.5 (10)
O2—Co1—N2—C11	3.5 (6)	N4—C7—C8—C9	−1.8 (12)
O1—Co1—N2—C11	97.1 (6)	C5—C7—C8—C9	178.3 (7)
N1—Co1—N2—C11	−174.9 (6)	C12—C8—C9—C10	−0.3 (10)
O3—Co1—N2—C12	99.8 (5)	C7—C8—C9—C10	−178.2 (6)
O6i—Co1—N2—C12	−21.7 (10)	C8—C9—C10—C11	−1.0 (10)
O2—Co1—N2—C12	−168.3 (5)	C12—N2—C11—C10	3.1 (10)
O1—Co1—N2—C12	−74.8 (5)	Co1—N2—C11—C10	−168.6 (5)
N1—Co1—N2—C12	13.2 (4)	C9—C10—C11—N2	−0.5 (11)
O4—S1—O3—Co1	−102.4 (4)	C11—N2—C12—C8	−4.4 (10)
O6—S1—O3—Co1	139.3 (3)	Co1—N2—C12—C8	168.2 (5)
O5—S1—O3—Co1	19.1 (4)	C11—N2—C12—C13	176.7 (6)
O6i—Co1—O3—S1	−89.7 (4)	Co1—N2—C12—C13	−10.7 (7)
O2—Co1—O3—S1	7.9 (4)	C9—C8—C12—N2	3.0 (10)
N1—Co1—O3—S1	176.5 (4)	C7—C8—C12—N2	−179.0 (6)
N2—Co1—O3—S1	103.6 (4)	C9—C8—C12—C13	−178.1 (6)
O4—S1—O6—Co1ii	168.3 (3)	C7—C8—C12—C13	−0.1 (10)
O3—S1—O6—Co1ii	−72.9 (4)	C1—N1—C13—C4	1.4 (10)
O5—S1—O6—Co1ii	47.3 (4)	Co1—N1—C13—C4	−168.9 (5)
C13—N1—C1—C2	0.1 (10)	C1—N1—C13—C12	−175.5 (6)
Co1—N1—C1—C2	169.4 (5)	Co1—N1—C13—C12	14.1 (8)
N1—C1—C2—C3	−1.0 (11)	C5—C4—C13—N1	179.6 (6)
C1—C2—C3—C4	0.5 (11)	C3—C4—C13—N1	−1.9 (10)
C2—C3—C4—C5	179.3 (7)	C5—C4—C13—C12	−3.5 (10)
C2—C3—C4—C13	0.9 (10)	C3—C4—C13—C12	175.0 (6)
C6—N3—C5—C7	−0.4 (7)	N2—C12—C13—N1	−2.3 (9)
C6—N3—C5—C4	−177.7 (7)	C8—C12—C13—N1	178.8 (6)
C13—C4—C5—C7	4.0 (11)	N2—C12—C13—C4	−179.3 (6)
C3—C4—C5—C7	−174.3 (7)	C8—C12—C13—C4	1.7 (10)

D—H···A	D—H	H···A	D···A	D—H···A
O2—H2C···O5	0.83 (5)	1.91 (3)	2.698 (7)	159 (7)
O1—H1C···O5i	0.82 (5)	2.00 (4)	2.749 (6)	150 (7)
O2—H2B···O6iii	0.82 (5)	2.18 (3)	2.957 (7)	158 (6)
O1—H1B···N4iv	0.84 (5)	1.91 (5)	2.731 (7)	168 (7)
N3—H3A···O4v	0.86	1.95	2.795 (6)	168

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O2—H2C⋯O5	0.83 (5)	1.91 (3)	2.698 (7)	159 (7)
O1—H1C⋯O5i	0.82 (5)	2.00 (4)	2.749 (6)	150 (7)
O2—H2B⋯O6ii	0.82 (5)	2.18 (3)	2.957 (7)	158 (6)
O1—H1B⋯N4iii	0.84 (5)	1.91 (5)	2.731 (7)	168 (7)
N3—H3A⋯O4iv	0.86	1.95	2.795 (6)	168

Symmetry codes: (i) ; (ii) ; (iii) ; (iv) .