Bis[μ-4-(4-carb-oxy-phen-oxy)phthalato]bis-[triaqua-cobalt(II)].

The dinuclear title complex, [Co(2)(C(15)H(8)O(7))(2)(H(2)O)(6)], lies across an inversion center. The unique Co(II) ion is coordinated in a slightly distorted octa-hedral coordination geometry by two O atoms from a chelating 4-(carb-oxy-phen-oxy)phthalate ligand, three water O atoms and a further O atom from a bridging carboxyl-ate group of a symmetry-related 4-(carb-oxy-phen-oxy)phthalate ligand. In the crystal, O-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network.

Related literature

For background to metal-organic coordination complexes, see: Wang et al. (2009 ▶); Leininger et al. (2000 ▶). For Co—O bond lengths in related structures, see: Chu et al. (2011 ▶). For the isotypic NiII complex and the synthesis, see: Cai (2011 ▶).

Experimental

Crystal data

[Co2(C15H8O7)2(H2O)6]

M = 826.38

Monoclinic,

a = 14.451 (11) Å

b = 9.558 (7) Å

c = 11.404 (9) Å

β = 92.749 (15)°

V = 1573 (2) Å3

Z = 2

Mo Kα radiation

μ = 1.15 mm−1

T = 293 K

0.15 × 0.12 × 0.10 mm

Data collection

Bruker APEXII diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 2003 ▶) T min = 0.847, T max = 0.894

8135 measured reflections

3087 independent reflections

1591 reflections with I > 2σ(I)

R int = 0.115

Refinement

R[F 2 > 2σ(F 2)] = 0.059

wR(F 2) = 0.116

S = 0.90

3087 reflections

235 parameters

9 restraints

H-atom parameters constrained

Δρmax = 0.41 e Å−3

Δρmin = −0.61 e Å−3

Data collection: APEX2 (Bruker, 2004 ▶); cell refinement: SAINT (Bruker, 2001 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: PLATON (Spek, 2009 ▶); software used to prepare material for publication: SHELXL97.

Click here for additional data file.

Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S1600536813000536/lh5557sup1.cif

Click here for additional data file.

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536813000536/lh5557Isup2.hkl

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

[Co2(C15H8O7)2(H2O)6]	F(000) = 844
Mr = 826.38	Dx = 1.744 Mg m−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 679 reflections
a = 14.451 (11) Å	θ = 2.8–26.7°
b = 9.558 (7) Å	µ = 1.15 mm−1
c = 11.404 (9) Å	T = 293 K
β = 92.749 (15)°	Block, purple
V = 1573 (2) Å3	0.15 × 0.12 × 0.10 mm
Z = 2

Bruker APEXII diffractometer	3087 independent reflections
Radiation source: fine-focus sealed tube	1591 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.115
φ and ω scans	θmax = 26.0°, θmin = 2.6°
Absorption correction: multi-scan (SADABS; Sheldrick, 2003)	h = −12→17
Tmin = 0.847, Tmax = 0.894	k = −11→11
8135 measured reflections	l = −13→14

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)] = 0.059	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.116	H-atom parameters constrained
S = 0.90	w = 1/[σ2(Fo2) + (0.0393P)2] where P = (Fo2 + 2Fc2)/3
3087 reflections	(Δ/σ)max = 0.001
235 parameters	Δρmax = 0.41 e Å−3
9 restraints	Δρmin = −0.61 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
C1	1.7277 (4)	−0.0681 (5)	0.4420 (5)	0.0259 (13)
C2	1.7404 (3)	−0.1470 (5)	0.3394 (4)	0.0278 (12)
C3	1.8284 (4)	−0.1974 (5)	0.3174 (5)	0.0304 (14)
H3	1.8371	−0.2486	0.2495	0.036*
C4	1.9030 (4)	−0.1720 (6)	0.3955 (5)	0.0325 (14)
C5	1.8912 (4)	−0.0994 (5)	0.4983 (5)	0.0379 (15)
H5	1.9407	−0.0852	0.5521	0.045*
C6	1.8029 (4)	−0.0477 (6)	0.5196 (5)	0.0377 (15)
H6	1.7946	0.0021	0.5884	0.045*
C7	2.1261 (4)	−0.2540 (6)	0.2792 (5)	0.0383 (15)
H7	2.1418	−0.3268	0.3305	0.046*
C8	2.0429 (4)	−0.1863 (5)	0.2862 (5)	0.0309 (14)
C9	2.0170 (4)	−0.0799 (5)	0.2099 (5)	0.0392 (15)
H9	1.9603	−0.0350	0.2153	0.047*
C10	2.0772 (4)	−0.0415 (6)	0.1251 (5)	0.0361 (15)
H10	2.0598	0.0288	0.0722	0.043*
C11	2.1623 (4)	−0.1044 (5)	0.1169 (5)	0.0299 (13)
C12	2.1871 (4)	−0.2131 (6)	0.1944 (5)	0.0392 (15)
H12	2.2439	−0.2579	0.1893	0.047*
C13	1.6620 (4)	−0.1895 (5)	0.2550 (5)	0.0263 (13)
C14	1.6385 (4)	0.0012 (5)	0.4680 (5)	0.0271 (13)
C15	2.2308 (4)	−0.0583 (6)	0.0309 (5)	0.0346 (14)
O1	1.5943 (2)	−0.2597 (3)	0.2936 (3)	0.0293 (9)
O2	1.6686 (2)	−0.1614 (4)	0.1480 (3)	0.0396 (10)
O3	1.5760 (2)	0.0121 (3)	0.3846 (3)	0.0296 (9)
O4	1.6298 (2)	0.0468 (3)	0.5707 (3)	0.0319 (9)
O5	1.9905 (2)	−0.2297 (4)	0.3788 (3)	0.0389 (10)
O6	2.1982 (3)	0.0438 (4)	−0.0387 (3)	0.0469 (11)
H6A	2.2434	0.0675	−0.0795	0.070*
O7	2.3071 (3)	−0.1081 (4)	0.0223 (3)	0.0488 (12)
O8	1.4474 (2)	−0.0499 (3)	0.2018 (3)	0.0369 (10)
H8A	1.4251	−0.0932	0.1424	0.055*
H8B	1.4165	0.0250	0.2083	0.055*
O9	1.3925 (2)	−0.3232 (3)	0.3192 (3)	0.0335 (9)
H9A	1.4080	−0.3880	0.2729	0.050*
H9B	1.3696	−0.3617	0.3786	0.050*
O10	1.5100 (2)	−0.2415 (3)	0.5250 (3)	0.0353 (10)
H10A	1.5400	−0.3082	0.5583	0.053*
H10B	1.4919	−0.1802	0.5722	0.053*
Co1	1.47938 (5)	−0.15569 (7)	0.35848 (6)	0.0266 (2)

	U11	U22	U33	U12	U13	U23
C1	0.028 (3)	0.023 (3)	0.027 (3)	−0.003 (3)	0.008 (3)	−0.001 (2)
C2	0.021 (3)	0.032 (3)	0.031 (3)	−0.001 (3)	0.006 (2)	0.004 (3)
C3	0.036 (4)	0.028 (3)	0.028 (3)	−0.001 (3)	0.012 (3)	−0.003 (2)
C4	0.022 (3)	0.038 (3)	0.038 (4)	−0.004 (3)	0.010 (3)	0.014 (3)
C5	0.037 (4)	0.042 (3)	0.035 (4)	−0.005 (3)	0.004 (3)	0.000 (3)
C6	0.037 (4)	0.042 (4)	0.034 (4)	0.003 (3)	0.008 (3)	−0.008 (3)
C7	0.026 (3)	0.041 (4)	0.048 (4)	0.003 (3)	0.010 (3)	0.010 (3)
C8	0.021 (3)	0.035 (3)	0.037 (3)	−0.005 (3)	0.007 (2)	0.006 (3)
C9	0.026 (3)	0.034 (3)	0.058 (4)	0.012 (3)	0.008 (3)	0.013 (3)
C10	0.031 (4)	0.038 (3)	0.040 (4)	0.001 (3)	0.008 (3)	0.014 (3)
C11	0.026 (3)	0.031 (3)	0.033 (3)	−0.004 (3)	0.001 (3)	−0.002 (3)
C12	0.029 (4)	0.040 (3)	0.049 (4)	0.014 (3)	0.007 (3)	0.001 (3)
C13	0.031 (3)	0.024 (3)	0.025 (3)	0.004 (2)	0.007 (3)	−0.004 (2)
C14	0.026 (3)	0.025 (3)	0.031 (4)	−0.003 (3)	0.008 (3)	−0.002 (3)
C15	0.033 (4)	0.041 (4)	0.030 (4)	−0.001 (3)	0.005 (3)	−0.005 (3)
O1	0.027 (2)	0.0238 (19)	0.038 (2)	−0.0057 (17)	0.0099 (17)	−0.0047 (17)
O2	0.036 (2)	0.055 (2)	0.028 (2)	−0.013 (2)	0.0070 (17)	0.000 (2)
O3	0.028 (2)	0.027 (2)	0.033 (2)	−0.0039 (18)	0.0031 (18)	−0.0051 (17)
O4	0.033 (2)	0.034 (2)	0.029 (2)	0.0054 (18)	0.0064 (17)	−0.0037 (18)
O5	0.029 (2)	0.046 (2)	0.043 (3)	0.007 (2)	0.0102 (19)	0.0128 (19)
O6	0.037 (3)	0.052 (3)	0.052 (3)	−0.001 (2)	0.018 (2)	0.015 (2)
O7	0.031 (2)	0.070 (3)	0.047 (3)	0.014 (2)	0.018 (2)	0.009 (2)
O8	0.053 (3)	0.031 (2)	0.027 (2)	0.0061 (19)	0.0038 (18)	−0.0044 (17)
O9	0.040 (2)	0.026 (2)	0.036 (2)	−0.0057 (18)	0.0120 (17)	−0.0065 (17)
O10	0.047 (3)	0.031 (2)	0.028 (2)	0.0081 (19)	0.0044 (18)	0.0052 (17)
Co1	0.0294 (4)	0.0233 (4)	0.0278 (4)	−0.0011 (4)	0.0072 (3)	−0.0018 (4)

C1—C6	1.382 (7)	C11—C15	1.492 (7)
C1—C2	1.412 (7)	C12—H12	0.9300
C1—C14	1.491 (7)	C13—O2	1.258 (6)
C2—C3	1.394 (6)	C13—O1	1.282 (5)
C2—C13	1.506 (7)	C14—O4	1.262 (6)
C3—C4	1.387 (7)	C14—O3	1.283 (6)
C3—H3	0.9300	C15—O7	1.210 (6)
C4—C5	1.379 (7)	C15—O6	1.330 (6)
C4—O5	1.401 (6)	O1—Co1	2.101 (3)
C5—C6	1.402 (7)	O3—Co1	2.138 (3)
C5—H5	0.9300	O4—Co1i	2.085 (3)
C6—H6	0.9300	O6—H6A	0.8506
C7—C8	1.372 (7)	O8—Co1	2.086 (4)
C7—C12	1.395 (7)	O8—H8A	0.8445
C7—H7	0.9300	O8—H8B	0.8482
C8—C9	1.378 (7)	O9—Co1	2.071 (3)
C8—O5	1.392 (6)	O9—H9A	0.8509
C9—C10	1.381 (7)	O9—H9B	0.8511
C9—H9	0.9300	O10—Co1	2.096 (4)
C10—C11	1.376 (7)	O10—H10A	0.8500
C10—H10	0.9300	O10—H10B	0.8453
C11—C12	1.399 (7)	Co1—O4i	2.085 (3)
C6—C1—C2	118.4 (5)	O2—C13—C2	118.2 (5)
C6—C1—C14	118.1 (5)	O1—C13—C2	119.0 (5)
C2—C1—C14	123.4 (5)	O4—C14—O3	124.2 (5)
C3—C2—C1	119.4 (5)	O4—C14—C1	117.6 (5)
C3—C2—C13	117.1 (5)	O3—C14—C1	118.2 (5)
C1—C2—C13	123.3 (4)	O7—C15—O6	122.5 (5)
C4—C3—C2	120.8 (5)	O7—C15—C11	125.0 (6)
C4—C3—H3	119.6	O6—C15—C11	112.5 (5)
C2—C3—H3	119.6	C13—O1—Co1	120.2 (3)
C5—C4—C3	120.7 (5)	C14—O3—Co1	118.3 (3)
C5—C4—O5	117.5 (5)	C14—O4—Co1i	130.0 (4)
C3—C4—O5	121.5 (5)	C8—O5—C4	120.8 (4)
C4—C5—C6	118.4 (5)	C15—O6—H6A	105.3
C4—C5—H5	120.8	Co1—O8—H8A	120.7
C6—C5—H5	120.8	Co1—O8—H8B	115.5
C1—C6—C5	122.3 (5)	H8A—O8—H8B	107.6
C1—C6—H6	118.9	Co1—O9—H9A	121.4
C5—C6—H6	118.9	Co1—O9—H9B	114.6
C8—C7—C12	119.5 (5)	H9A—O9—H9B	107.6
C8—C7—H7	120.2	Co1—O10—H10A	141.2
C12—C7—H7	120.2	Co1—O10—H10B	104.3
C7—C8—C9	121.5 (5)	H10A—O10—H10B	113.7
C7—C8—O5	114.5 (5)	O9—Co1—O4i	90.40 (14)
C9—C8—O5	124.0 (5)	O9—Co1—O8	94.71 (14)
C8—C9—C10	118.5 (5)	O4i—Co1—O8	87.08 (14)
C8—C9—H9	120.7	O9—Co1—O10	89.59 (13)
C10—C9—H9	120.7	O4i—Co1—O10	88.57 (14)
C11—C10—C9	121.8 (5)	O8—Co1—O10	173.90 (14)
C11—C10—H10	119.1	O9—Co1—O1	92.25 (14)
C9—C10—H10	119.1	O4i—Co1—O1	176.92 (15)
C10—C11—C12	118.9 (5)	O8—Co1—O1	94.26 (14)
C10—C11—C15	122.6 (5)	O10—Co1—O1	89.89 (14)
C12—C11—C15	118.5 (5)	O9—Co1—O3	174.56 (13)
C7—C12—C11	119.7 (5)	O4i—Co1—O3	94.21 (14)
C7—C12—H12	120.2	O8—Co1—O3	82.66 (14)
C11—C12—H12	120.2	O10—Co1—O3	93.40 (14)
O2—C13—O1	122.6 (5)	O1—Co1—O3	83.22 (14)

D—H···A	D—H	H···A	D···A	D—H···A
O8—H8B···O1ii	0.85	2.06	2.839 (5)	152
O6—H6A···O2iii	0.85	1.77	2.598 (5)	165
O8—H8A···O7iv	0.84	2.14	2.865 (6)	144
O9—H9A···O3v	0.85	2.06	2.861 (5)	157
O9—H9B···O7vi	0.85	1.93	2.754 (5)	163
O10—H10A···O2vii	0.85	2.10	2.788 (5)	138
O10—H10B···O3i	0.85	1.96	2.746 (5)	155

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O8—H8B⋯O1i	0.85	2.06	2.839 (5)	152
O6—H6A⋯O2ii	0.85	1.77	2.598 (5)	165
O8—H8A⋯O7iii	0.84	2.14	2.865 (6)	144
O9—H9A⋯O3iv	0.85	2.06	2.861 (5)	157
O9—H9B⋯O7v	0.85	1.93	2.754 (5)	163
O10—H10A⋯O2vi	0.85	2.10	2.788 (5)	138
O10—H10B⋯O3vii	0.85	1.96	2.746 (5)	155

Symmetry codes: (i) ; (ii) ; (iii) ; (iv) ; (v) ; (vi) ; (vii) .