catena-Poly[[diaqua-cobalt(II)]-μ-4,4'-[1,4-phenyl-enebis(-oxy)]dibutano-ato-κO,O':O'',O'''].

In the title coordination polymer, [Co(C(14)H(16)O(6))(H(2)O)(2)](n), the Co(II) ion, situated on a twofold rotation axis, is coordinated by four O atoms from two 4,4'-[1,4-phenyl-enebis(-oxy)]dibutano-ate (L) ligands and two water mol-ecules in a highly distorted octa-hedral geometry. Each L ligand is situated on an inversion center and bridges two Co(II) atoms, forming a zigzag polymeric chain propagating in [10]. Inter-molecular O-H⋯O hydrogen bonds further consolidate the crystal packing.

Related literature

For related structures, see: Dai et al. (2009 ▶); Zhu et al. (2008 ▶); Li et al. (2010 ▶). For the synthesis of 4,4′-[1,4-phenyl­enebis(­oxy)]dibutanoic acid, see: Zhang et al. (2009 ▶).

Experimental

Crystal data

[Co(C14H16O6)(H2O)2]

M = 375.23

Monoclinic,

a = 28.835 (4) Å

b = 5.4057 (8) Å

c = 10.6425 (16) Å

β = 98.126 (2)°

V = 1642.2 (4) Å3

Z = 4

Mo Kα radiation

μ = 1.08 mm−1

T = 296 K

0.18 × 0.16 × 0.10 mm

Data collection

Bruker APEXII CCD area-detector diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.829, T max = 0.900

5204 measured reflections

1459 independent reflections

1343 reflections with I > 2σ(I)

R int = 0.032

Refinement

R[F 2 > 2σ(F 2)] = 0.028

wR(F 2) = 0.080

S = 1.00

1459 reflections

105 parameters

H-atom parameters constrained

Δρmax = 0.26 e Å−3

Δρmin = −0.25 e Å−3

Data collection: APEX2 (Bruker, 2005 ▶); cell refinement: SAINT (Bruker, 2005 ▶); 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 global, I. DOI: 10.1107/S1600536810053742/cv5012sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810053742/cv5012Isup2.hkl

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

[Co(C14H16O6)(H2O)2]	F(000) = 780
Mr = 375.23	Dx = 1.518 Mg m−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2yc	Cell parameters from 2107 reflections
a = 28.835 (4) Å	θ = 2.9–27.0°
b = 5.4057 (8) Å	µ = 1.08 mm−1
c = 10.6425 (16) Å	T = 296 K
β = 98.126 (2)°	Acicular, red
V = 1642.2 (4) Å3	0.18 × 0.16 × 0.10 mm
Z = 4

Bruker APEXII CCD area-detector diffractometer	1459 independent reflections
Radiation source: fine-focus sealed tube	1343 reflections with I > 2σ(I)
graphite	Rint = 0.032
φ and ω scans	θmax = 25.0°, θmin = 2.9°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −34→34
Tmin = 0.829, Tmax = 0.900	k = −4→6
5204 measured reflections	l = −12→12

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)] = 0.028	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.080	H-atom parameters constrained
S = 1.00	w = 1/[σ2(Fo2) + (0.0516P)2 + 0.6799P] where P = (Fo2 + 2Fc2)/3
1459 reflections	(Δ/σ)max < 0.001
105 parameters	Δρmax = 0.26 e Å−3
0 restraints	Δρmin = −0.25 e Å−3

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
Co1	0.0000	0.16787 (6)	0.7500	0.02397 (16)
O1	0.05242 (5)	0.4611 (3)	0.74548 (12)	0.0332 (3)
O2	0.03451 (5)	0.2091 (3)	0.58828 (13)	0.0399 (4)
O3	0.18305 (5)	1.0014 (3)	0.61283 (14)	0.0458 (4)
O4	0.04626 (5)	−0.0762 (3)	0.84698 (12)	0.0322 (3)
H8	0.0494	−0.2161	0.8127	0.048*
H9	0.0419	−0.1122	0.9221	0.048*
C1	0.05869 (7)	0.3883 (4)	0.63762 (18)	0.0280 (4)
C2	0.09363 (8)	0.5074 (5)	0.5643 (2)	0.0425 (6)
H2A	0.1135	0.3785	0.5375	0.051*
H2B	0.0766	0.5807	0.4882	0.051*
C3	0.12459 (8)	0.7026 (4)	0.6324 (2)	0.0374 (5)
H3A	0.1437	0.6303	0.7056	0.045*
H3B	0.1054	0.8315	0.6622	0.045*
C4	0.15584 (7)	0.8131 (4)	0.5448 (2)	0.0357 (5)
H4A	0.1761	0.6868	0.5174	0.043*
H4B	0.1371	0.8823	0.4703	0.043*
C5	0.21584 (7)	1.1201 (4)	0.55206 (19)	0.0338 (5)
C6	0.24618 (8)	1.2756 (5)	0.6269 (2)	0.0413 (6)
H6	0.2437	1.2927	0.7126	0.050*
C7	0.28037 (8)	1.4066 (4)	0.5754 (2)	0.0391 (5)
H7	0.3006	1.5115	0.6262	0.047*

	U11	U22	U33	U12	U13	U23
Co1	0.0283 (2)	0.0205 (2)	0.0252 (2)	0.000	0.01100 (15)	0.000
O1	0.0445 (8)	0.0282 (8)	0.0301 (8)	−0.0084 (6)	0.0157 (6)	−0.0030 (6)
O2	0.0489 (9)	0.0464 (10)	0.0268 (8)	−0.0265 (8)	0.0139 (7)	−0.0082 (7)
O3	0.0502 (9)	0.0547 (11)	0.0350 (8)	−0.0326 (8)	0.0147 (7)	−0.0047 (7)
O4	0.0425 (8)	0.0297 (8)	0.0260 (7)	0.0093 (6)	0.0100 (6)	0.0018 (6)
C1	0.0286 (10)	0.0300 (11)	0.0259 (10)	−0.0043 (8)	0.0060 (8)	0.0024 (8)
C2	0.0476 (12)	0.0487 (15)	0.0343 (12)	−0.0212 (11)	0.0163 (10)	−0.0041 (10)
C3	0.0386 (12)	0.0432 (14)	0.0316 (11)	−0.0174 (10)	0.0097 (9)	−0.0016 (10)
C4	0.0356 (12)	0.0390 (14)	0.0333 (12)	−0.0125 (10)	0.0076 (9)	0.0007 (9)
C5	0.0338 (11)	0.0372 (13)	0.0308 (11)	−0.0119 (9)	0.0062 (9)	0.0047 (9)
C6	0.0492 (13)	0.0499 (14)	0.0258 (11)	−0.0216 (11)	0.0084 (10)	−0.0015 (10)
C7	0.0410 (12)	0.0446 (13)	0.0314 (11)	−0.0206 (11)	0.0039 (9)	−0.0022 (10)

Co1—O4i	2.0485 (13)	C2—H2A	0.9700
Co1—O4	2.0485 (13)	C2—H2B	0.9700
Co1—O2	2.1181 (14)	C3—C4	1.508 (3)
Co1—O2i	2.1181 (14)	C3—H3A	0.9700
Co1—O1i	2.1954 (13)	C3—H3B	0.9700
Co1—O1	2.1955 (14)	C4—H4A	0.9700
O1—C1	1.251 (2)	C4—H4B	0.9700
O2—C1	1.263 (2)	C5—C6	1.382 (3)
O3—C5	1.377 (2)	C5—C7ii	1.384 (3)
O3—C4	1.420 (2)	C6—C7	1.388 (3)
O4—H8	0.8499	C6—H6	0.9300
O4—H9	0.8499	C7—C5ii	1.384 (3)
C1—C2	1.503 (3)	C7—H7	0.9300
C2—C3	1.501 (3)
O4i—Co1—O4	99.80 (8)	C1—C2—H2B	108.2
O4i—Co1—O2	90.32 (5)	H2A—C2—H2B	107.3
O4—Co1—O2	97.47 (6)	C2—C3—C4	110.28 (18)
O4—Co1—O2i	90.33 (5)	C2—C3—H3A	109.6
O2—Co1—O2i	167.91 (9)	C4—C3—H3A	109.6
O4—Co1—O1i	148.79 (5)	C2—C3—H3B	109.6
O2i—Co1—O1i	60.14 (5)	C4—C3—H3B	109.6
O4i—Co1—O1	148.79 (5)	H3A—C3—H3B	108.1
O4—Co1—O1	94.29 (6)	O3—C4—C3	107.70 (17)
O2—Co1—O1	60.15 (5)	O3—C4—H4A	110.2
O2i—Co1—O1	110.23 (6)	C3—C4—H4A	110.2
O1i—Co1—O1	87.57 (8)	O3—C4—H4B	110.2
C5—O3—C4	117.46 (16)	C3—C4—H4B	110.2
Co1—O4—H8	117.3	H4A—C4—H4B	108.5
Co1—O4—H9	116.6	O3—C5—C6	115.70 (19)
H8—O4—H9	103.9	O3—C5—C7ii	124.50 (19)
O1—C1—O2	118.67 (17)	C6—C5—C7ii	119.8 (2)
O1—C1—C2	122.41 (18)	C5—C6—C7	120.7 (2)
O2—C1—C2	118.92 (17)	C5—C6—H6	119.7
C3—C2—C1	116.56 (18)	C7—C6—H6	119.7
C3—C2—H2A	108.2	C5ii—C7—C6	119.5 (2)
C1—C2—H2A	108.2	C5ii—C7—H7	120.2
C3—C2—H2B	108.2	C6—C7—H7	120.2
O4i—Co1—O1—C1	−21.60 (18)	Co1—O1—C1—C2	−179.14 (19)
O4—Co1—O1—C1	95.34 (12)	Co1—O2—C1—O1	−1.4 (2)
O2—Co1—O1—C1	−0.82 (12)	Co1—O2—C1—C2	179.07 (17)
O2i—Co1—O1—C1	−172.73 (12)	O1—C1—C2—C3	6.2 (3)
O1i—Co1—O1—C1	−115.86 (13)	O2—C1—C2—C3	−174.3 (2)
C1i—Co1—O1—C1	−143.01 (11)	C1—C2—C3—C4	−177.1 (2)
O4i—Co1—O2—C1	170.22 (13)	C5—O3—C4—C3	177.08 (19)
O4—Co1—O2—C1	−89.86 (13)	C2—C3—C4—O3	178.05 (18)
O2i—Co1—O2—C1	39.90 (12)	C4—O3—C5—C6	−170.9 (2)
O1i—Co1—O2—C1	75.53 (13)	C4—O3—C5—C7ii	9.4 (3)
O1—Co1—O2—C1	0.81 (12)	O3—C5—C6—C7	−179.4 (2)
C1i—Co1—O2—C1	69.9 (2)	C7ii—C5—C6—C7	0.3 (4)
Co1—O1—C1—O2	1.4 (2)	C5—C6—C7—C5ii	−0.3 (4)

D—H···A	D—H	H···A	D···A	D—H···A
O4—H9···O2iii	0.85	1.88	2.7335 (19)	176
O4—H8···O1iv	0.85	1.89	2.740 (2)	175

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O4—H9⋯O2i	0.85	1.88	2.7335 (19)	176
O4—H8⋯O1ii	0.85	1.89	2.740 (2)	175

Symmetry codes: (i) ; (ii) .