Diaqua­bis­[1,2-bis­(pyridin-4-yl)ethene]­bis­[2-(4-carboxy­phen­yl)acetato]­cobalt(II)

Yu, W.-H.; Liu, J.-L.; Ren, X.-M.

doi:10.1107/S1600536811024755

metal-organic compounds

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ISSN: 2056-9890

Volume 67| Part 7| July 2011| Page m999

doi:10.1107/S1600536811024755

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Diaquabis[1,2-bis(pyridin-4-yl)ethene]bis[2-(4-carboxyphenyl)acetato]cobalt(II)

Wei-Hua Yu,^a Jian-Lan Liu ^a and Xiao-Ming Ren ^a ^*

^aCollege of Science, Nanjing University of Technology, Nanjing 210009, People's Republic of China
^*Correspondence e-mail: duanhaibao4660@163.com

(Received 17 June 2011; accepted 23 June 2011; online 30 June 2011)

The asymmetric unit of the title compound, [Co(C₉H₇O₄)₂(C₁₂H₁₀N₂)₂(H₂O)₂], consists of one Co²⁺ ion, one mono-deprotonated 2-(4-carboxylatophenyl)acetate carboxylic acid, one 1,2-bis(pyridin-4-yl)ethane molecule and one water molecule. The Co^II atom is situated on a crystallographic center of inversion and is octahedrally coordinated by two O atoms from two anions, two N atoms of two 1,2-bis(pyridin-4-yl)ethane molecules and two O atoms from two water molecules. A three-dimensional network is established by intermolecular O—H⋯O and O—H⋯N hydrogen bonds.

Related literature

For general background to the design of metal-organic supramolecular solids with potential functionality, see: Moulton & Zaworotko (2001 ); Janiak (2003 ). For weak non-covalent interactions in supramolecular solids, see: Hosseini (2005 ); Nishio (2004 ). For metal-organic supramolecular frameworks based on organic connectors containing pyridyl and/or carboxylate groups, see: Brammer (2004 ).

Experimental

Crystal data

[Co(C₉H₇O₄)₂(C₁₂H₁₀N₂)₂(H₂O)₂]
M_r = 817.69
Monoclinic, P 2₁ /c
a = 21.349 (5) Å
b = 5.6522 (12) Å
c = 15.659 (4) Å
β = 98.999 (4)°
V = 1866.3 (7) Å³
Z = 2
Mo Kα radiation
μ = 0.53 mm⁻¹
T = 293 K
0.40 × 0.30 × 0.10 mm

Data collection

Bruker SMART CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2000 ) T_min = 0.850, T_max = 0.874
9499 measured reflections
3635 independent reflections
2640 reflections with I > 2σ(I)
R_int = 0.041

Refinement

R[F² > 2σ(F²)] = 0.055
wR(F²) = 0.105
S = 1.06
3635 reflections
268 parameters
H atoms treated by a mixture of independent and constrained refinement
Δρ_max = 0.71 e Å⁻³
Δρ_min = −0.36 e Å⁻³

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O5—H5C⋯O1ⁱ	0.73 (4)	2.13 (4)	2.822 (3)	158 (4)
O5—H5D⋯O2ⁱⁱ	0.98 (4)	1.74 (4)	2.610 (3)	145 (3)
O3—H3⋯N2ⁱⁱⁱ	0.82	1.85	2.667 (3)	173
Symmetry codes: (i) -x, -y+2, -z; (ii) -x, -y+1, -z; (iii) $[-x+1, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]$ .

Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 2000); 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.

Supporting information

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536811024755/im2300sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536811024755/im2300Isup2.hkl

checkCIF report

Comment top

During the past decade, the design of new metal-organic supramolecular solids has attracted ever-increasing focus in the fields of coordination chemistry and crystal engineering, for the sake of developing desired crystalline materials with potential functionality (Moulton & Zaworotko, 2001; Janiak et al., 2003). Furthermore, it has been realised that weak noncovalent interactions such as hydrogen bonds, aromatic stacking, and van der Waals forces (Hosseini, 2005; Nishio, 2004) are crucial in the direction of such crystalline architectures. Hitherto, a variety of organic connectors containing pyridyl and/or carboxylate groups (Brammer, 2004) have been widely used to construct metal-organic supramolecular frameworks. Herein we report the crystal structure of the title compound (1).

The molecular structure of (1) is illustrated in Fig. 1. Compound (1) crystallizes in the monoclinic space group P2₁/c. The structure of (1) is a single molecule, in which the Co²⁺ center is situated on a crystallographic center of inversion. The coordination sphere of cobalt is a slightly distorted octahedron and consistes of by two O atoms from two mono-deprotonated (4-carboxyphenyl)acetate groups, two N atoms of two 1,2-di(pyridin-4-yl)ethane molecules and two O atoms from two water molecules. As shown in Fig. 2, a one-dimensional chain is formed by O–H···N hydrogen bonds. In addition, these one-dimensional chains are linked together by additional O—H···O hydrogen bonds between water molecules and the cobalt bound carboxylate group generating a three-dimensional framework.

Related literature top

For general background to the design of metal-organic supramolecular solids with potential functionality, see: Moulton & Zaworotko (2001); Janiak (2003). For weak non-covalent interactions in supramolecular solids, see: Hosseini (2005); Nishio (2004). For metal-organic supramolecular frameworks based on organic connectors containing pyridyl and/or carboxylate groups, see: Brammer (2004).

Experimental top

Cobalt chloride hexahydrate (1 mmol), 1,2-di(pyridin-4-yl)ethane (1 mmol) and (4-carboxyphenyl)acetic acid (1 mmol) in water (8 ml) were placed in a Teflon-lined stainless-steel Parr bomb that was heated to 433 K for 48 h. Red plate crystals were collected after the bomb was subsequently allowed to cool to room temperature (yield: 38%).

Computing details top

Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 2000); data reduction: SAINT (Bruker, 2000); 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 (Sheldrick, 2008).

Figures top

	Fig. 1. Molecular structure of (I), showing displacement ellipsoids at the 30% probability level.
	Fig. 2. One-dimensional chain structure of (I).

Diaquabis[1,2-bis(pyridin-4-yl)ethene]bis[2-(4- carboxylphenyl)acetato]cobalt(II) top

Crystal data top

[Co(C₉H₇O₄)₂(C₁₂H₁₀N₂)₂(H₂O)₂]	F(000) = 850
M_r = 817.69	D_x = 1.455 Mg m⁻³
Monoclinic, P2₁/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 870 reflections
a = 21.349 (5) Å	θ = 2.6–22.1°
b = 5.6522 (12) Å	µ = 0.53 mm⁻¹
c = 15.659 (4) Å	T = 293 K
β = 98.999 (4)°	Plate, red
V = 1866.3 (7) Å³	0.40 × 0.30 × 0.10 mm
Z = 2

Data collection top

Bruker SMART CCD area-detector diffractometer	3635 independent reflections
Radiation source: fine-focus sealed tube	2640 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.041
ϕ and ω scans	θ_max = 26.0°, θ_min = 1.9°
Absorption correction: multi-scan (SADABS; Bruker, 2000)	h = −26→23
T_min = 0.850, T_max = 0.874	k = −6→6
9499 measured reflections	l = −19→17

Refinement top

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)] = 0.055	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.105	H atoms treated by a mixture of independent and constrained refinement
S = 1.06	w = 1/[σ²(F_o²) + (0.040P)² + 0.440P] where P = (F_o² + 2F_c²)/3
3635 reflections	(Δ/σ)_max < 0.001
268 parameters	Δρ_max = 0.71 e Å⁻³
0 restraints	Δρ_min = −0.36 e Å⁻³

Crystal data top

[Co(C₉H₇O₄)₂(C₁₂H₁₀N₂)₂(H₂O)₂]	V = 1866.3 (7) Å³
M_r = 817.69	Z = 2
Monoclinic, P2₁/c	Mo Kα radiation
a = 21.349 (5) Å	µ = 0.53 mm⁻¹
b = 5.6522 (12) Å	T = 293 K
c = 15.659 (4) Å	0.40 × 0.30 × 0.10 mm
β = 98.999 (4)°

Data collection top

Bruker SMART CCD area-detector diffractometer	3635 independent reflections
Absorption correction: multi-scan (SADABS; Bruker, 2000)	2640 reflections with I > 2σ(I)
T_min = 0.850, T_max = 0.874	R_int = 0.041
9499 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.055	0 restraints
wR(F²) = 0.105	H atoms treated by a mixture of independent and constrained refinement
S = 1.06	Δρ_max = 0.71 e Å⁻³
3635 reflections	Δρ_min = −0.36 e Å⁻³
268 parameters

Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
C1	0.13939 (13)	0.6024 (5)	0.07330 (17)	0.0285 (6)
H1	0.1308	0.7388	0.0404	0.034*
C2	0.21300 (13)	0.3771 (6)	0.16945 (19)	0.0324 (7)
C3	0.16536 (14)	0.2132 (6)	0.1675 (2)	0.0418 (8)
H3A	0.1727	0.0750	0.1997	0.050*
C4	0.19847 (13)	0.5792 (5)	0.11978 (18)	0.0305 (7)
H4	0.2287	0.6969	0.1183	0.037*
C5	0.10794 (14)	0.2501 (5)	0.11927 (19)	0.0360 (7)
H5A	0.0771	0.1338	0.1194	0.043*
C6	0.27478 (13)	0.3325 (6)	0.2271 (2)	0.0446 (8)
H6	0.2805	0.2017	0.2635	0.053*
C7	0.32607 (15)	0.5046 (7)	0.2236 (2)	0.0542 (9)
H7	0.3213	0.6348	0.1868	0.065*
C8	0.38736 (14)	0.4545 (6)	0.2844 (2)	0.0435 (8)
C9	0.43624 (15)	0.6125 (7)	0.2885 (2)	0.0480 (9)
H9	0.4317	0.7491	0.2549	0.058*
C10	0.49294 (15)	0.5670 (6)	0.3433 (2)	0.0418 (8)
H10	0.5263	0.6730	0.3439	0.050*
C11	0.45391 (15)	0.2330 (6)	0.3909 (2)	0.0467 (9)
H11	0.4588	0.1017	0.4271	0.056*
C12	0.39688 (15)	0.2605 (6)	0.3370 (2)	0.0476 (9)
H12	0.3651	0.1477	0.3363	0.057*
C25	0.09958 (12)	0.8462 (5)	−0.19283 (18)	0.0311 (6)
H25A	0.1055	0.7968	−0.2504	0.037*
H25B	0.0775	0.9968	−0.1978	0.037*
C26	0.16362 (13)	0.8760 (5)	−0.13681 (18)	0.0290 (6)
C27	0.17905 (14)	1.0732 (5)	−0.0867 (2)	0.0333 (7)
H27	0.1497	1.1953	−0.0881	0.040*
C28	0.23634 (15)	1.0942 (6)	−0.0351 (2)	0.0422 (8)
H28	0.2446	1.2272	−0.0002	0.051*
C29	0.28176 (14)	0.9246 (6)	−0.0335 (2)	0.0387 (7)
C30	0.26777 (14)	0.7226 (6)	−0.0820 (2)	0.0447 (8)
H30	0.2978	0.6031	−0.0811	0.054*
C31	0.20875 (14)	0.6992 (6)	−0.1321 (2)	0.0408 (8)
H31	0.1992	0.5607	−0.1635	0.049*
C32	0.34424 (16)	0.9532 (6)	0.0221 (2)	0.0494 (9)
C50	0.05974 (12)	0.6632 (5)	−0.15437 (17)	0.0237 (6)
Co1	0.0000	0.5000	0.0000	0.02453 (15)
H5C	−0.0226 (18)	0.907 (7)	0.078 (3)	0.057 (13)*
H5D	−0.0072 (15)	0.719 (6)	0.134 (2)	0.049 (10)*
N1	0.09278 (10)	0.4435 (4)	0.07147 (14)	0.0278 (5)
N2	0.50139 (12)	0.3794 (5)	0.39444 (17)	0.0417 (6)
O1	0.03952 (8)	0.7233 (3)	−0.08597 (11)	0.0252 (4)
O2	0.05249 (10)	0.4649 (4)	−0.18973 (14)	0.0392 (5)
O3	0.38617 (10)	0.7984 (4)	0.00934 (15)	0.0448 (6)
H3	0.4191	0.8232	0.0426	0.067*
O4	0.35646 (11)	1.1161 (4)	0.07192 (15)	0.0506 (6)
O5	−0.00449 (10)	0.7965 (4)	0.07875 (14)	0.0308 (5)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
C1	0.0255 (14)	0.0263 (14)	0.0317 (15)	−0.0001 (11)	−0.0015 (11)	0.0051 (12)
C2	0.0228 (15)	0.0414 (18)	0.0314 (15)	0.0045 (12)	−0.0004 (12)	−0.0013 (13)
C3	0.0411 (17)	0.0279 (17)	0.052 (2)	−0.0034 (14)	−0.0078 (14)	0.0124 (15)
C4	0.0254 (14)	0.0280 (16)	0.0360 (16)	−0.0053 (11)	−0.0017 (12)	0.0017 (12)
C5	0.0329 (15)	0.0323 (17)	0.0372 (17)	−0.0017 (13)	−0.0112 (12)	0.0083 (13)
C6	0.0238 (16)	0.050 (2)	0.056 (2)	0.0032 (14)	−0.0049 (14)	0.0141 (17)
C7	0.0407 (18)	0.056 (2)	0.061 (2)	−0.0067 (18)	−0.0091 (15)	0.023 (2)
C8	0.0303 (16)	0.043 (2)	0.055 (2)	−0.0009 (14)	−0.0020 (13)	0.0019 (15)
C9	0.0383 (19)	0.050 (2)	0.053 (2)	−0.0036 (15)	−0.0021 (15)	0.0131 (17)
C10	0.0357 (17)	0.042 (2)	0.0446 (19)	−0.0083 (14)	−0.0035 (14)	−0.0042 (14)
C11	0.0469 (19)	0.0385 (19)	0.0453 (19)	−0.0024 (15)	−0.0222 (15)	0.0135 (15)
C12	0.0373 (18)	0.051 (2)	0.048 (2)	−0.0097 (16)	−0.0121 (15)	0.0094 (17)
C25	0.0254 (14)	0.0341 (17)	0.0340 (15)	−0.0005 (12)	0.0056 (12)	0.0059 (13)
C26	0.0241 (14)	0.0337 (16)	0.0301 (15)	−0.0018 (12)	0.0069 (11)	−0.0003 (12)
C27	0.0326 (16)	0.0210 (16)	0.0469 (18)	0.0048 (11)	0.0086 (13)	0.0006 (12)
C28	0.0408 (19)	0.0344 (18)	0.054 (2)	−0.0039 (14)	0.0135 (15)	−0.0099 (15)
C29	0.0296 (15)	0.044 (2)	0.0424 (17)	−0.0057 (13)	0.0056 (13)	−0.0033 (14)
C30	0.0256 (15)	0.052 (2)	0.054 (2)	0.0122 (15)	−0.0021 (13)	−0.0096 (17)
C31	0.0404 (17)	0.0326 (17)	0.0480 (19)	0.0022 (14)	0.0024 (14)	−0.0182 (14)
C32	0.0381 (18)	0.053 (2)	0.054 (2)	−0.0008 (16)	−0.0024 (15)	−0.0161 (18)
C50	0.0207 (12)	0.0236 (15)	0.0258 (13)	0.0028 (11)	0.0003 (10)	0.0029 (11)
Co1	0.0269 (3)	0.0223 (3)	0.0237 (3)	0.0004 (2)	0.00182 (19)	0.0014 (2)
N1	0.0252 (12)	0.0271 (13)	0.0307 (12)	0.0007 (9)	0.0033 (9)	0.0002 (9)
N2	0.0315 (14)	0.0433 (16)	0.0461 (16)	0.0071 (12)	−0.0069 (12)	−0.0035 (13)
O1	0.0242 (9)	0.0268 (10)	0.0264 (10)	−0.0013 (8)	0.0093 (8)	0.0018 (8)
O2	0.0491 (13)	0.0258 (12)	0.0478 (13)	−0.0078 (10)	0.0238 (10)	−0.0055 (9)
O3	0.0347 (12)	0.0444 (14)	0.0466 (13)	0.0077 (11)	−0.0200 (10)	−0.0051 (11)
O4	0.0511 (15)	0.0463 (14)	0.0473 (14)	0.0075 (11)	−0.0141 (11)	−0.0127 (12)
O5	0.0390 (11)	0.0199 (11)	0.0365 (12)	0.0029 (9)	0.0150 (9)	0.0008 (9)

Geometric parameters (Å, º) top

C1—N1	1.338 (3)	C25—H25A	0.9700
C1—C4	1.360 (4)	C25—H25B	0.9700
C1—H1	0.9300	C26—C27	1.373 (4)
C2—C3	1.373 (4)	C26—C31	1.382 (4)
C2—C4	1.389 (4)	C27—C28	1.362 (4)
C2—C6	1.498 (4)	C27—H27	0.9300
C3—C5	1.352 (4)	C28—C29	1.361 (4)
C3—H3A	0.9300	C28—H28	0.9300
C4—H4	0.9300	C29—C30	1.378 (5)
C5—N1	1.335 (4)	C29—C32	1.483 (4)
C5—H5A	0.9300	C30—C31	1.383 (4)
C6—C7	1.472 (5)	C30—H30	0.9300
C6—H6	0.9300	C31—H31	0.9300
C7—C8	1.520 (4)	C32—O4	1.209 (4)
C7—H7	0.9300	C32—O3	1.290 (4)
C8—C12	1.367 (5)	C50—O2	1.249 (3)
C8—C9	1.367 (5)	C50—O1	1.262 (3)
C9—C10	1.394 (4)	Co1—O5	2.092 (2)
C9—H9	0.9300	Co1—O5ⁱ	2.092 (2)
C10—N2	1.324 (4)	Co1—O1ⁱ	2.1149 (17)
C10—H10	0.9300	Co1—O1	2.1149 (17)
C11—N2	1.303 (4)	Co1—N1ⁱ	2.141 (2)
C11—C12	1.378 (4)	Co1—N1	2.141 (2)
C11—H11	0.9300	O3—H3	0.8200
C12—H12	0.9300	O5—H5C	0.73 (4)
C25—C26	1.514 (4)	O5—H5D	0.98 (4)
C25—C50	1.522 (4)

N1—C1—C4	124.8 (3)	C28—C27—C26	121.5 (3)
N1—C1—H1	117.6	C28—C27—H27	119.2
C4—C1—H1	117.6	C26—C27—H27	119.2
C3—C2—C4	116.3 (3)	C29—C28—C27	121.4 (3)
C3—C2—C6	118.6 (3)	C29—C28—H28	119.3
C4—C2—C6	125.0 (3)	C27—C28—H28	119.3
C5—C3—C2	120.8 (3)	C28—C29—C30	118.7 (3)
C5—C3—H3A	119.6	C28—C29—C32	120.5 (3)
C2—C3—H3A	119.6	C30—C29—C32	120.8 (3)
C1—C4—C2	119.1 (3)	C29—C30—C31	119.5 (3)
C1—C4—H4	120.5	C29—C30—H30	120.3
C2—C4—H4	120.5	C31—C30—H30	120.3
N1—C5—C3	124.0 (3)	C26—C31—C30	121.8 (3)
N1—C5—H5A	118.0	C26—C31—H31	119.1
C3—C5—H5A	118.0	C30—C31—H31	119.1
C7—C6—C2	117.1 (3)	O4—C32—O3	122.1 (3)
C7—C6—H6	121.4	O4—C32—C29	123.0 (3)
C2—C6—H6	121.4	O3—C32—C29	114.7 (3)
C6—C7—C8	115.2 (3)	O2—C50—O1	125.6 (2)
C6—C7—H7	122.4	O2—C50—C25	118.2 (2)
C8—C7—H7	122.4	O1—C50—C25	116.1 (2)
C12—C8—C9	117.1 (3)	O5—Co1—O5ⁱ	180.00 (10)
C12—C8—C7	124.0 (3)	O5—Co1—O1ⁱ	92.48 (8)
C9—C8—C7	118.9 (3)	O5ⁱ—Co1—O1ⁱ	87.52 (8)
C8—C9—C10	119.4 (3)	O5—Co1—O1	87.52 (8)
C8—C9—H9	120.3	O5ⁱ—Co1—O1	92.48 (8)
C10—C9—H9	120.3	O1ⁱ—Co1—O1	180.00 (7)
N2—C10—C9	122.9 (3)	O5—Co1—N1ⁱ	93.70 (9)
N2—C10—H10	118.5	O5ⁱ—Co1—N1ⁱ	86.30 (9)
C9—C10—H10	118.5	O1ⁱ—Co1—N1ⁱ	89.61 (8)
N2—C11—C12	124.1 (3)	O1—Co1—N1ⁱ	90.39 (8)
N2—C11—H11	117.9	O5—Co1—N1	86.30 (9)
C12—C11—H11	117.9	O5ⁱ—Co1—N1	93.70 (9)
C8—C12—C11	119.6 (3)	O1ⁱ—Co1—N1	90.39 (8)
C8—C12—H12	120.2	O1—Co1—N1	89.61 (8)
C11—C12—H12	120.2	N1ⁱ—Co1—N1	180.00 (13)
C26—C25—C50	110.9 (2)	C5—N1—C1	115.0 (2)
C26—C25—H25A	109.5	C5—N1—Co1	122.57 (19)
C50—C25—H25A	109.5	C1—N1—Co1	122.36 (19)
C26—C25—H25B	109.5	C11—N2—C10	116.8 (3)
C50—C25—H25B	109.5	C50—O1—Co1	127.08 (17)
H25A—C25—H25B	108.1	C32—O3—H3	109.5
C27—C26—C31	117.0 (3)	Co1—O5—H5C	138 (3)
C27—C26—C25	122.4 (3)	Co1—O5—H5D	100 (2)
C31—C26—C25	120.6 (3)	H5C—O5—H5D	107 (3)

Symmetry code: (i) −x, −y+1, −z.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O5—H5C···O1ⁱⁱ	0.73 (4)	2.13 (4)	2.822 (3)	158 (4)
O5—H5D···O2ⁱ	0.98 (4)	1.74 (4)	2.610 (3)	145 (3)
O3—H3···N2ⁱⁱⁱ	0.82	1.85	2.667 (3)	173

Symmetry codes: (i) −x, −y+1, −z; (ii) −x, −y+2, −z; (iii) −x+1, y+1/2, −z+1/2.

Experimental details

Crystal data
Chemical formula	[Co(C₉H₇O₄)₂(C₁₂H₁₀N₂)₂(H₂O)₂]
M_r	817.69
Crystal system, space group	Monoclinic, P2₁/c
Temperature (K)	293
a, b, c (Å)	21.349 (5), 5.6522 (12), 15.659 (4)
β (°)	98.999 (4)
V (Å³)	1866.3 (7)
Z	2
Radiation type	Mo Kα
µ (mm⁻¹)	0.53
Crystal size (mm)	0.40 × 0.30 × 0.10

Data collection
Diffractometer	Bruker SMART CCD area-detector diffractometer
Absorption correction	Multi-scan (SADABS; Bruker, 2000)
T_min, T_max	0.850, 0.874
No. of measured, independent and observed [I > 2σ(I)] reflections	9499, 3635, 2640
R_int	0.041
(sin θ/λ)_max (Å⁻¹)	0.617

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.055, 0.105, 1.06
No. of reflections	3635
No. of parameters	268
H-atom treatment	H atoms treated by a mixture of independent and constrained refinement
Δρ_max, Δρ_min (e Å⁻³)	0.71, −0.36

Computer programs: SMART (Bruker, 2000), SAINT (Bruker, 2000), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O5—H5C···O1ⁱ	0.73 (4)	2.13 (4)	2.822 (3)	158 (4)
O5—H5D···O2ⁱⁱ	0.98 (4)	1.74 (4)	2.610 (3)	145 (3)
O3—H3···N2ⁱⁱⁱ	0.82	1.85	2.667 (3)	172.7

Symmetry codes: (i) −x, −y+2, −z; (ii) −x, −y+1, −z; (iii) −x+1, y+1/2, −z+1/2.

Acknowledgements

The authors thank Nanjing Xiaozhuang College of China for financial support (grant No. 2007NXY31).

References

Brammer, L. (2004). Chem. Soc. Rev. 33, 476–489. Web of Science CrossRef PubMed CAS Google Scholar
Bruker (2000). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA. Google Scholar
Hosseini, M. W. (2005). Acc. Chem. Res. 38, 313–323. Web of Science CrossRef PubMed CAS Google Scholar
Janiak, C. (2003). Dalton Trans. pp. 2781–2804. Web of Science CrossRef Google Scholar
Moulton, B. & Zaworotko, M. J. (2001). Chem. Rev. 101, 1629–1658. Web of Science CrossRef PubMed CAS Google Scholar
Nishio, M. (2004). CrystEngComn. 6, 130–158. CrossRef CAS Google Scholar
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. Web of Science CrossRef CAS IUCr Journals Google Scholar

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Volume 67| Part 7| July 2011| Page m999

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metal-organic compounds\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

Di­aqua­bis­­[1,2-bis­­(pyridin-4-yl)ethene]­bis­­[2-(4-carb­oxy­phen­yl)acetato]­cobalt(II)

Related literature

Experimental

Crystal data

Data collection

Refinement

Supporting information

Acknowledgements

References

metal-organic compounds

Diaquabis[1,2-bis(pyridin-4-yl)ethene]bis[2-(4-carboxyphenyl)acetato]cobalt(II)