catena-Poly[[di-μ-aqua-bis[aqua­cobalt(II)]]-bis(μ3-1H-benzimidazole-5,6-dicarboxylato]

Xu, K.; Yu, L.-P.

doi:10.1107/S1600536809005194

metal-organic compounds

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ISSN: 2056-9890

Volume 65| Part 3| March 2009| Page m295

doi:10.1107/S1600536809005194

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catena-Poly[[di-μ-aqua-bis[aquacobalt(II)]]-bis(μ₃-1H-benzimidazole-5,6-dicarboxylato]

Kai Xu ^a ^* and Li-Ping Yu ^b

^aJiangxi University of Science and Technology, Ganzhou 341000, People's Republic of China, and ^bDepartment of Management and Engineering, Jiangxi V & T College of Communication, Nanchang 330013, People's Republic of China
^*Correspondence e-mail: kai_xujx@126.com

(Received 26 January 2009; accepted 13 February 2009; online 21 February 2009)

The title compound, [Co₂(C₉H₄N₂O₄)₂(H₂O)₄]_n, is a one-dimensional polymeric complex with bridging 1H-benzimidazole-5,6-dicarboxylate and aqua ligands. The Co^II cation has an octahedral coordination environment provided by an NO₅ donor set. Adjacent polymeric chains extended along the [100] direction are linked by O—H⋯O and N—H⋯O hydrogen bonds, generating a three-dimensional network.

Related literature

A dinuclear Co^II complex with a 1H-benzimidazole-5,6-dicarboxylate anion as a bridging ligand was reported by Lo et al. (2007 ). For general information on polymeric coordination compounds, see: Barnett & Champness (2003 ); Eddaoudi et al. (2001 ); Kitagawa et al. (2004 ); Moulton & Zaworotko (2001 ); Roesky & Andruh (2003 ).

Experimental

Crystal data

[Co₂(C₉H₄N₂O₄)₂(H₂O)₄]
M_r = 598.20
Monoclinic, P 2₁ /c
a = 8.8161 (8) Å
b = 9.1092 (6) Å
c = 13.0236 (13) Å
β = 97.693 (7)°
V = 1036.48 (16) Å³
Z = 2
Mo Kα radiation
μ = 1.68 mm⁻¹
T = 298 K
0.13 × 0.10 × 0.04 mm

Data collection

Bruker APEXII CCD diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1997 ) T_min = 0.801, T_max = 0.936
10641 measured reflections
2132 independent reflections
1843 reflections with I > 2σ(I)
R_int = 0.032

Refinement

R[F² > 2σ(F²)] = 0.031
wR(F²) = 0.084
S = 1.09
2132 reflections
178 parameters
7 restraints
H atoms treated by a mixture of independent and constrained refinement
Δρ_max = 0.24 e Å⁻³
Δρ_min = −0.25 e Å⁻³

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N2—H2⋯O3ⁱ	0.838 (17)	2.060 (18)	2.885 (3)	168 (3)
O5—H5A⋯O3	0.810 (16)	2.042 (18)	2.844 (2)	171 (3)
O5—H5B⋯O4ⁱⁱ	0.819 (16)	1.797 (17)	2.609 (2)	171 (3)
O6—H6A⋯O3ⁱⁱⁱ	0.829 (17)	2.047 (19)	2.863 (2)	167 (3)
O6—H6B⋯O4^iv	0.812 (17)	1.91 (2)	2.706 (3)	164 (3)
Symmetry codes: (i) $[-x+2, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]$ ; (ii) $[-x+1, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]$ ; (iii) $[x, -y+{\script{1\over 2}}, z-{\script{1\over 2}}]$ ; (iv) -x+1, -y+1, -z.

Data collection: APEX2 (Bruker, 2004bbr id="bb12">); cell refinement: SAINT-Plus (Bruker, 2001 ); data reduction: SAINT-Plus; 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: PLATON.

Supporting information

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536809005194/gk2188sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536809005194/gk2188Isup2.hkl

checkCIF report

Comment top

Current interest in metal-organic coordination polymers is rapidly expanding owing to their intriguing structures and potential applications in the developments of optical, magnetic, superconductive and mineral materials (Moulton & Zaworotko, 2001; Eddaoudi et al., 2001; Roesky & Andruh, 2003; Barnett & Champness, 2003; Kitagawa et al., 2004). The assembly mode of coordination compounds is however strongly dependent on reaction conditions (pH, solvent, temperature, pressure, auxiliary ligands). Recently, Lo et al. (2007) reported the crystal structure of a dinuclear Co(II) compound obtained in the reaction of Co(NO₃)₂.6H₂O and the multidentate ligand, 1H-benzimidazole-4,5-dicarboxylic acid (H₃BIDC) in aqueous solution. However, when we applied hydrothermal method using the same substrates for the synthesis, a new compound, the title metal-organic polymer, was obtained (see Scheme).

The asymmetric unit of the title compound consists of one cobalt(II) cation, one HBIDC^2- ligand and two coordinating water molecules. The Co^II cation has an octahedral coordination environment which consists of one N atom, two O atoms from two different bidentate-bridging carboxylate groups, two O atoms from bridging water molecules and one O atom from a monodentate water molecule. The Co—O bond lengths range from 2.040 (1) to 2.250 (1) Å. The Co atoms are bridged into pairs by two carboxylate groups and two water molecules with the Co—Co distance of 3.126 (1) Å (Fig.1). These dimers are further connected by Co–N bonds to the benzimidazole units of other dimers forming a one-dimensional chain parallel to the [100] direction (Fig.2). The ligand bridging modes and assembly mode in the title compound are very much different from those observed in the dinuclear complex reported by Lo et al. (2007). The polymeric chains are linked together by several hydrogen bonds (Fig.3) forming a three-dimensional network. Further analysis reveals that this network is strengthened by a weak π···π interaction between phenyl rings of HBIDC^2- with face-to-face distances of 4.05 (1) Å and centroid- to- centroid distance of 3.81 (1) Å.

Related literature top

A dinuclear Co^II complex with a 1H-benzimidazole-5,6-dicarboxylate anion as a bridging ligand was reported by Lo et al. (2007). For general information on polymeric coordination compounds, see: Barnett & Champness (2003); Eddaoudi et al. (2001); Kitagawa et al. (2004); Moulton & Zaworotko (2001); Roesky & Andruh (2003).

Experimental top

1H-Benzimidazole-5,6-dicarboxylic acid (0.083 g, 0.40 mmol) and Co(NO₃)₂.6H₂O (0.24 g, 0.80 mmol) were dissolved in water (40 ml). pH of the solution was adjusted to 8 with 2M NaOH solution. The reaction mixture was placed in a Teflon reactor (15 mL) and was heated at 160 °C for 4 days, and then it was gradually cooled to room temperature at a rate of 10°C per hour. Purple crystals of (I) were obtained at the bottom of the reactor. Yield: 38% based on Co(NO₃)₂.6H₂O.

Computing details top

Data collection: SMART (Bruker, 2001) or APEX2?; cell refinement: SAINT-Plus (Bruker, 2001); data reduction: SAINT-Plus (Bruker, 2001); 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: PLATON (Spek, 2009).

Figures top

	Fig. 1. The molecular structure of the title compound showing the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level and H atoms are shown as small spheres of arbitrary radii. [Symmetry codes: (a) = 1 - x, -y, -z; (b) = x - 1, y, z and (c) = 2 - x, -y, -z.]
	Fig. 2. Part of the crystal structure of the title compound showing formation of the one-dimensional chain running parallel to the [100] direction..
	Fig. 3. Part of the crystal structure showing the formation of the three-dimensional network. Hydrogen bonds are shown as dashed lines. Hydrogen atoms not involved in the motif have been omitted for clarity.

catena-Poly[di-µ-aqua-bis[aquacobalt(II)]]-bis(µ₃-1H- benzimidazole-5,6-dicarboxylato] top

Crystal data top

[Co₂(C₉H₄N₂O₄)₂(H₂O)₄]	F(000) = 604
M_r = 598.20	D_x = 1.917 Mg m⁻³
Monoclinic, P2₁/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 3722 reflections
a = 8.8161 (8) Å	θ = 2.8–26.9°
b = 9.1092 (6) Å	µ = 1.68 mm⁻¹
c = 13.0236 (13) Å	T = 298 K
β = 97.693 (7)°	Plate, pink
V = 1036.48 (16) Å³	0.13 × 0.10 × 0.04 mm
Z = 2

Data collection top

Bruker APEX II CCD diffractometer	2132 independent reflections
Radiation source: fine-focus sealed tube	1843 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.032
ω scan	θ_max = 26.5°, θ_min = 2.3°
Absorption correction: multi-scan (SADABS; Sheldrick, 1997)	h = −11→11
T_min = 0.801, T_max = 0.936	k = −11→10
10641 measured reflections	l = −16→16

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)] = 0.031	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.084	H atoms treated by a mixture of independent and constrained refinement
S = 1.09	w = 1/[σ²(F_o²) + (0.0484P)² + 0.4096P] where P = (F_o² + 2F_c²)/3
2132 reflections	(Δ/σ)_max = 0.001
178 parameters	Δρ_max = 0.24 e Å⁻³
7 restraints	Δρ_min = −0.25 e Å⁻³

Crystal data top

[Co₂(C₉H₄N₂O₄)₂(H₂O)₄]	V = 1036.48 (16) Å³
M_r = 598.20	Z = 2
Monoclinic, P2₁/c	Mo Kα radiation
a = 8.8161 (8) Å	µ = 1.68 mm⁻¹
b = 9.1092 (6) Å	T = 298 K
c = 13.0236 (13) Å	0.13 × 0.10 × 0.04 mm
β = 97.693 (7)°

Data collection top

Bruker APEX II CCD diffractometer	2132 independent reflections
Absorption correction: multi-scan (SADABS; Sheldrick, 1997)	1843 reflections with I > 2σ(I)
T_min = 0.801, T_max = 0.936	R_int = 0.032
10641 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.031	7 restraints
wR(F²) = 0.084	H atoms treated by a mixture of independent and constrained refinement
S = 1.09	Δρ_max = 0.24 e Å⁻³
2132 reflections	Δρ_min = −0.25 e Å⁻³
178 parameters

Special details top

Experimental. Crystal grew over two weeks.

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
Co1	0.40810 (3)	0.14143 (3)	−0.03697 (2)	0.01731 (13)
O1	0.62863 (17)	0.22091 (18)	0.00054 (13)	0.0215 (4)
O2	0.76041 (18)	0.01355 (18)	0.04928 (13)	0.0244 (4)
O3	0.66320 (18)	0.25466 (18)	0.22762 (12)	0.0231 (4)
O4	0.7113 (2)	0.49433 (19)	0.24802 (15)	0.0329 (5)
O5	0.47578 (18)	0.03826 (19)	0.11583 (12)	0.0205 (4)
H5A	0.537 (3)	0.098 (3)	0.143 (2)	0.031*
H5B	0.414 (3)	0.017 (3)	0.1548 (19)	0.031*
O6	0.3858 (2)	0.2363 (2)	−0.18070 (14)	0.0321 (4)
H6A	0.461 (3)	0.228 (3)	−0.213 (2)	0.048*
H6B	0.345 (3)	0.315 (3)	−0.193 (3)	0.048*
N1	1.2913 (2)	0.3115 (2)	0.03501 (15)	0.0202 (4)
N2	1.2660 (2)	0.5038 (2)	0.13927 (16)	0.0226 (4)
H2	1.286 (3)	0.584 (2)	0.170 (2)	0.027*
C1	1.3576 (2)	0.4279 (3)	0.08205 (18)	0.0216 (5)
H1	1.4578	0.4553	0.0765	0.026*
C2	1.1427 (2)	0.3117 (3)	0.06301 (18)	0.0183 (5)
C3	1.0189 (2)	0.2181 (3)	0.03410 (18)	0.0194 (5)
H3	1.0255	0.1415	−0.0122	0.023*
C4	0.8847 (2)	0.2441 (3)	0.07752 (17)	0.0184 (5)
C5	0.8741 (3)	0.3586 (2)	0.15138 (18)	0.0186 (5)
C6	0.9952 (3)	0.4545 (3)	0.17708 (18)	0.0223 (5)
H6	0.9894	0.5312	0.2235	0.027*
C7	1.1273 (2)	0.4306 (3)	0.12990 (18)	0.0198 (5)
C8	0.7465 (3)	0.1518 (3)	0.03986 (17)	0.0186 (5)
C9	0.7389 (3)	0.3696 (3)	0.21238 (18)	0.0192 (5)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Co1	0.01344 (18)	0.0164 (2)	0.02276 (19)	−0.00114 (11)	0.00492 (12)	−0.00042 (12)
O1	0.0138 (8)	0.0209 (9)	0.0299 (9)	−0.0027 (6)	0.0033 (6)	0.0015 (7)
O2	0.0150 (8)	0.0181 (9)	0.0407 (10)	−0.0024 (6)	0.0061 (7)	−0.0040 (7)
O3	0.0224 (8)	0.0204 (9)	0.0281 (9)	−0.0014 (7)	0.0093 (7)	0.0020 (7)
O4	0.0360 (10)	0.0199 (10)	0.0484 (11)	0.0032 (8)	0.0269 (9)	−0.0022 (8)
O5	0.0177 (8)	0.0215 (9)	0.0239 (9)	−0.0042 (7)	0.0089 (7)	−0.0012 (7)
O6	0.0352 (11)	0.0314 (11)	0.0313 (10)	0.0100 (8)	0.0098 (8)	0.0104 (8)
N1	0.0133 (9)	0.0200 (11)	0.0279 (10)	−0.0017 (8)	0.0052 (8)	−0.0010 (8)
N2	0.0182 (10)	0.0188 (11)	0.0311 (11)	−0.0050 (8)	0.0045 (8)	−0.0071 (9)
C1	0.0131 (11)	0.0223 (13)	0.0299 (12)	−0.0033 (9)	0.0044 (9)	0.0010 (10)
C2	0.0129 (10)	0.0191 (12)	0.0238 (11)	0.0008 (9)	0.0053 (8)	0.0003 (9)
C3	0.0152 (11)	0.0174 (12)	0.0262 (12)	−0.0014 (9)	0.0055 (9)	−0.0056 (9)
C4	0.0126 (10)	0.0172 (12)	0.0260 (11)	−0.0007 (9)	0.0046 (8)	−0.0003 (10)
C5	0.0154 (11)	0.0170 (12)	0.0244 (11)	0.0033 (8)	0.0062 (9)	0.0002 (9)
C6	0.0214 (12)	0.0169 (12)	0.0296 (12)	0.0001 (9)	0.0073 (9)	−0.0059 (10)
C7	0.0143 (11)	0.0159 (12)	0.0289 (12)	−0.0021 (9)	0.0023 (9)	−0.0020 (10)
C8	0.0153 (11)	0.0189 (13)	0.0233 (11)	−0.0013 (9)	0.0086 (9)	−0.0033 (9)
C9	0.0155 (11)	0.0209 (13)	0.0219 (11)	0.0038 (9)	0.0056 (9)	0.0028 (9)

Geometric parameters (Å, º) top

Co1—O1	2.0709 (15)	N1—C2	1.406 (3)
Co1—O2ⁱ	2.0401 (16)	N2—C1	1.359 (3)
Co1—O5	2.2094 (17)	N2—C7	1.385 (3)
Co1—O5ⁱ	2.2503 (16)	N2—H2	0.838 (17)
Co1—O6	2.0472 (18)	C1—H1	0.9300
Co1—N1ⁱⁱ	2.144 (2)	C2—C3	1.396 (3)
O1—C8	1.263 (3)	C2—C7	1.407 (3)
O2—C8	1.270 (3)	C3—C4	1.398 (3)
O3—C9	1.272 (3)	C3—H3	0.9300
O4—C9	1.263 (3)	C4—C5	1.430 (3)
O5—H5A	0.810 (16)	C4—C8	1.507 (3)
O5—H5B	0.819 (16)	C5—C6	1.386 (3)
O6—H6A	0.829 (17)	C5—C9	1.521 (3)
O6—H6B	0.812 (17)	C6—C7	1.404 (3)
N1—C1	1.321 (3)	C6—H6	0.9300

O2ⁱ—Co1—O6	103.92 (8)	C1—N2—H2	127.0 (19)
O2ⁱ—Co1—O1	155.68 (7)	C7—N2—H2	126.0 (19)
O6—Co1—O1	92.30 (7)	N1—C1—N2	113.83 (19)
O2ⁱ—Co1—N1ⁱⁱ	98.46 (7)	N1—C1—H1	123.1
O6—Co1—N1ⁱⁱ	95.85 (8)	N2—C1—H1	123.1
O1—Co1—N1ⁱⁱ	97.75 (7)	C3—C2—N1	130.6 (2)
O2ⁱ—Co1—O5	83.25 (7)	C3—C2—C7	119.97 (19)
O6—Co1—O5	169.87 (7)	N1—C2—C7	109.4 (2)
O1—Co1—O5	78.72 (6)	C2—C3—C4	117.5 (2)
N1ⁱⁱ—Co1—O5	90.07 (7)	C2—C3—H3	121.3
O2ⁱ—Co1—O5ⁱ	80.31 (6)	C4—C3—H3	121.3
O6—Co1—O5ⁱ	83.31 (7)	C3—C4—C5	122.0 (2)
O1—Co1—O5ⁱ	83.79 (6)	C3—C4—C8	117.7 (2)
N1ⁱⁱ—Co1—O5ⁱ	178.28 (6)	C5—C4—C8	120.16 (19)
O5—Co1—O5ⁱ	90.98 (6)	C6—C5—C4	120.3 (2)
C8—O1—Co1	128.08 (15)	C6—C5—C9	117.67 (19)
C8—O2—Co1ⁱ	128.23 (15)	C4—C5—C9	121.7 (2)
Co1—O5—Co1ⁱ	89.02 (6)	C5—C6—C7	117.0 (2)
Co1—O5—H5A	101 (2)	C5—C6—H6	121.5
Co1ⁱ—O5—H5A	112 (2)	C7—C6—H6	121.5
Co1—O5—H5B	123 (2)	N2—C7—C6	131.4 (2)
Co1ⁱ—O5—H5B	119.5 (19)	N2—C7—C2	105.54 (19)
H5A—O5—H5B	110 (2)	C6—C7—C2	123.0 (2)
Co1—O6—H6A	116 (2)	O1—C8—O2	126.7 (2)
Co1—O6—H6B	123 (2)	O1—C8—C4	116.1 (2)
H6A—O6—H6B	110 (2)	O2—C8—C4	117.3 (2)
C1—N1—C2	104.40 (19)	O4—C9—O3	123.5 (2)
C1—N1—Co1ⁱⁱⁱ	125.01 (15)	O4—C9—C5	117.0 (2)
C2—N1—Co1ⁱⁱⁱ	129.27 (16)	O3—C9—C5	119.4 (2)
C1—N2—C7	106.8 (2)

O2ⁱ—Co1—O1—C8	0.0 (3)	C8—C4—C5—C9	14.2 (3)
O6—Co1—O1—C8	−132.30 (18)	C4—C5—C6—C7	−1.8 (3)
N1ⁱⁱ—Co1—O1—C8	131.48 (18)	C9—C5—C6—C7	171.8 (2)
O5—Co1—O1—C8	42.96 (18)	C1—N2—C7—C6	175.5 (3)
O5ⁱ—Co1—O1—C8	−49.29 (18)	C1—N2—C7—C2	−1.3 (3)
O2ⁱ—Co1—O5—Co1ⁱ	80.12 (6)	C5—C6—C7—N2	−179.3 (2)
O6—Co1—O5—Co1ⁱ	−55.5 (4)	C5—C6—C7—C2	−3.0 (4)
O1—Co1—O5—Co1ⁱ	−83.47 (6)	C3—C2—C7—N2	−177.5 (2)
N1ⁱⁱ—Co1—O5—Co1ⁱ	178.64 (6)	N1—C2—C7—N2	1.7 (3)
C2—N1—C1—N2	0.5 (3)	C3—C2—C7—C6	5.4 (4)
Co1ⁱⁱⁱ—N1—C1—N2	−167.35 (16)	N1—C2—C7—C6	−175.5 (2)
C7—N2—C1—N1	0.5 (3)	Co1—O1—C8—O2	12.4 (3)
C1—N1—C2—C3	177.7 (3)	Co1—O1—C8—C4	−168.66 (14)
Co1ⁱⁱⁱ—N1—C2—C3	−15.1 (4)	Co1ⁱ—O2—C8—O1	−15.5 (3)
C1—N1—C2—C7	−1.4 (3)	Co1ⁱ—O2—C8—C4	165.65 (14)
Co1ⁱⁱⁱ—N1—C2—C7	165.80 (16)	C3—C4—C8—O1	−121.1 (2)
N1—C2—C3—C4	178.3 (2)	C5—C4—C8—O1	55.9 (3)
C7—C2—C3—C4	−2.7 (3)	C3—C4—C8—O2	57.9 (3)
C2—C3—C4—C5	−2.0 (3)	C5—C4—C8—O2	−125.1 (2)
C2—C3—C4—C8	174.9 (2)	C6—C5—C9—O4	29.5 (3)
C3—C4—C5—C6	4.4 (4)	C4—C5—C9—O4	−156.9 (2)
C8—C4—C5—C6	−172.5 (2)	C6—C5—C9—O3	−148.4 (2)
C3—C4—C5—C9	−169.0 (2)	C4—C5—C9—O3	25.1 (3)

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

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
N2—H2···O3^iv	0.84 (2)	2.06 (2)	2.885 (3)	168 (3)
O5—H5A···O3	0.81 (2)	2.04 (2)	2.844 (2)	171 (3)
O5—H5B···O4^v	0.82 (2)	1.80 (2)	2.609 (2)	171 (3)
O6—H6A···O3^vi	0.83 (2)	2.05 (2)	2.863 (2)	167 (3)
O6—H6B···O4^vii	0.81 (2)	1.91 (2)	2.706 (3)	164 (3)
C3—H3···O2^viii	0.93	2.46	3.160 (3)	133

Symmetry codes: (iv) −x+2, y+1/2, −z+1/2; (v) −x+1, y−1/2, −z+1/2; (vi) x, −y+1/2, z−1/2; (vii) −x+1, −y+1, −z; (viii) −x+2, −y, −z.

Experimental details

Crystal data
Chemical formula	[Co₂(C₉H₄N₂O₄)₂(H₂O)₄]
M_r	598.20
Crystal system, space group	Monoclinic, P2₁/c
Temperature (K)	298
a, b, c (Å)	8.8161 (8), 9.1092 (6), 13.0236 (13)
β (°)	97.693 (7)
V (Å³)	1036.48 (16)
Z	2
Radiation type	Mo Kα
µ (mm⁻¹)	1.68
Crystal size (mm)	0.13 × 0.10 × 0.04

Data collection
Diffractometer	Bruker APEX II CCD diffractometer
Absorption correction	Multi-scan (SADABS; Sheldrick, 1997)
T_min, T_max	0.801, 0.936
No. of measured, independent and observed [I > 2σ(I)] reflections	10641, 2132, 1843
R_int	0.032
(sin θ/λ)_max (Å⁻¹)	0.628

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.031, 0.084, 1.09
No. of reflections	2132
No. of parameters	178
No. of restraints	7
H-atom treatment	H atoms treated by a mixture of independent and constrained refinement
Δρ_max, Δρ_min (e Å⁻³)	0.24, −0.25

Computer programs: SMART (Bruker, 2001) or APEX2?, SAINT-Plus (Bruker, 2001), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), PLATON (Spek, 2009).

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
N2—H2···O3ⁱ	0.838 (17)	2.060 (18)	2.885 (3)	168 (3)
O5—H5A···O3	0.810 (16)	2.042 (18)	2.844 (2)	171 (3)
O5—H5B···O4ⁱⁱ	0.819 (16)	1.797 (17)	2.609 (2)	171 (3)
O6—H6A···O3ⁱⁱⁱ	0.829 (17)	2.047 (19)	2.863 (2)	167 (3)
O6—H6B···O4^iv	0.812 (17)	1.91 (2)	2.706 (3)	164 (3)

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

Acknowledgements

The authors thank Jiangxi University of Science and Technology for supporting this work.

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