Bis(μ-pyridine-2,5-dicarboxyl­ato)-κ3N,O2:O5;κ3O5:N,O2-bis­[aqua­(2,2′-bipyridine-κ2N,N′)cobalt(II)] dihydrate

Lush, S.F.

doi:10.1107/S1600536811003059

metal-organic compounds

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ISSN: 2056-9890

Volume 67| Part 2| February 2011| Pages m278-m279

doi:10.1107/S1600536811003059

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Bis(μ-pyridine-2,5-dicarboxylato)-κ³N,O²:O⁵;κ³O⁵:N,O²-bis[aqua(2,2′-bipyridine-κ²N,N′)cobalt(II)] dihydrate

Shie Fu Lush ^a ^*

^aDepartment of Genernal Eduction Center, Yuanpei University, HsinChu 30015, Taiwan
^*Correspondence e-mail: lush@mail.ypu.edu.tw

(Received 16 January 2011; accepted 24 January 2011; online 29 January 2011)

In the centrosymmetric title compound, [Co₂(C₇H₃NO₄)₂(C₁₀H₈N₂)₂(H₂O)₂]·2H₂O, the two Co^II cations are bridged by pairs of pyridine-2,5-dicarboxylate anions across an inversion center. Besides two pyridine-2,5-dicarboxylate anions, one bidentate 2,2′-bipyridine and one water molecule coordinate to the Co cation, completing a distorted octahedral coordination geometry. Within the dinuclear molecule, π–π stacking occurs between parallel pyridine rings with centroid–centroid distances of 3.802 (2) Å. The crystal structure contains extensive O—H⋯O and weak C—H⋯O hydrogen bonds and C—H⋯π interactions.

Related literature

For multi-dentate coordination modes of the pyridine-3,5-dicarboxylate anion, see: Gao et al. (2005 ). For related structures, see: Aghabozorg et al. (2007 ); Lu et al. (2006 ); Xu et al. (2004 ).

Experimental

Crystal data

[Co₂(C₇H₃NO₄)₂(C₁₀H₈N₂)₂(H₂O)₂]·2H₂O
M_r = 832.50
Triclinic, $[P \overline 1]$
a = 7.2731 (11) Å
b = 9.7123 (15) Å
c = 12.2887 (19) Å
α = 98.447 (3)°
β = 103.283 (3)°
γ = 91.564 (3)°
V = 834.0 (2) Å³
Z = 1
Mo Kα radiation
μ = 1.07 mm⁻¹
T = 294 K
0.30 × 0.20 × 0.20 mm

Data collection

Bruker SMART CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2001 ) T_min = 0.928, T_max = 0.971
4799 measured reflections
2903 independent reflections
2557 reflections with I > 2σ(I)
R_int = 0.031

Refinement

R[F² > 2σ(F²)] = 0.056
wR(F²) = 0.145
S = 1.14
2903 reflections
244 parameters
H-atom parameters constrained
Δρ_max = 1.58 e Å⁻³
Δρ_min = −0.37 e Å⁻³

Table 1
Selected bond lengths (Å)

Co1—O1	2.059 (3)
Co1—O2	2.056 (3)
Co1—O5ⁱ	2.089 (3)
Co1—N1	2.126 (3)
Co1—N2	2.155 (3)
Co1—N3	2.204 (3)
Symmetry code: (i) -x+1, -y+1, -z+1.

Table 2
Hydrogen-bond geometry (Å, °)

Cg is the centroid of the N-pyridine ring.

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1—H1A⋯O3ⁱⁱ	0.84	1.82	2.629 (4)	159
O1—H1B⋯O6	0.88	1.94	2.755 (5)	154
O6—H6A⋯O4ⁱⁱⁱ	0.85	2.40	3.232 (5)	166
O6—H6B⋯O4^iv	0.83	2.01	2.829 (5)	170
C4—H4A⋯O2^v	0.93	2.52	3.202 (5)	131
C7—H7A⋯O6^vi	0.93	2.57	3.332 (6)	140
C8—H8A⋯O4^vii	0.93	2.55	3.461 (6)	169
C9—H9A⋯O3^viii	0.93	2.59	3.330 (6)	137
C12—H12A⋯O4^ix	0.93	2.44	3.317 (5)	158
C15—H15A⋯O3ⁱⁱ	0.93	2.36	3.249 (5)	160
C2—H2A⋯Cg^iv	0.93	2.72	3.547 (5)	150
Symmetry codes: (ii) x-1, y, z; (iii) -x, -y+1, -z+1; (iv) x, y+1, z; (v) -x+2, -y+2, -z+2; (vi) -x+1, -y+2, -z+2; (vii) -x+1, -y+1, -z+2; (viii) -x+2, -y+1, -z+2; (ix) x+1, y, z.

Data collection: SMART (Bruker, 2007 ); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997 ); software used to prepare material for publication: PLATON (Spek, 2009 ).

Supporting information

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536811003059/xu5145sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536811003059/xu5145Isup2.hkl

checkCIF report

Comment top

2,5-PydH₂ can be easily deprotonated to get a O-donors to N-donor multidentate anion (pyd^2-), enabling the ligand coordinates to two or more metal ions in a briding mode and chelating mode (Gao et al., 2005). The complexation of metal ions using the deprotonated conjugate base of 2,5-pydH₂ as a ligand has been reported in the literature (Aghabozorg et al., 2007; Lu et al., 2006; Xu et al., 2004).

The symmetric unit of the title compound contain two Co^II cations, two pyd anions, two bpy molecules and two coordinated water molecules. Each Co^II ion is surrounded by one bpy ligand, two pyd anions and one coordinated water molecule, to give a distorted octahedral geometry. Two pyd anions bridges two Co^II ions to form a centrosymmetric dimeric complex (Table 1 and Fig. 1).

The crystal structure contains an extensive network of classical O—H···O and weak C—H···O hydrogen bonds (full details and symmetry codes are given in Table 2 and Fig. 2). C—H ···π(full detail and symmetry code is given in Table 2) and π-π stacking are present in the crystal structure, the shortest centroids distance between parallel pyridine rings is 3.8023 (17) Å [Cg5ⁱ···Cg5 (N3/C11—C15)] [symmetry code: 1 - x, 1 - y, 1 - z].

Related literature top

For multi-dentate coordination modes of the pyridine-3,5-dicarboxylate anion, see: Gao et al. (2005). For related structures, see: Aghabozorg et al. (2007); Lu et al. (2006); Xu et al. (2004).

Experimental top

An aqueous solution (5 ml) of bpy (0.0312 g, 0.20 mmol) was mixed with aqueous solution (5 ml) containing Co(NO₃)₂.6H₂O (0.0450 g, 0.20 mmol) and 2,5-pydH₂ (0.0346 g, 0.2 mmol). The mxiture was put in a 23-ml Teflon liner reactor and heated at 418 K in oven for 48 h. The resulting solution was slowly cooled to room temperature. The orange transparent single crystals of the title complex were obtained in 35.5% yield (based on Co).

Computing details top

Data collection: SMART (Bruker, 2007); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT (Bruker, 2007); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: PLATON (Spek, 2009).

Figures top

	Fig. 1. View of the title compound with the atom numbering scheme. Displacement ellipsoids for non-H atoms are drawn at the 50% probability level. All H atoms have been omitted for clarity [symmetry code: (i) 1 - x, 1 - y, 1 - z].
	Fig. 2. The molecular packing for the title compound. Hydrogen bonds are shown as dashed lines.

Bis(µ-pyridine-2,5-dicarboxylato)-κ³N,O²:O⁵;κ³O⁵:N,O²- bis[aqua(2,2'-bipyridine-κ²N,N')cobalt(II)] dihydrate top

Crystal data top

[Co₂(C₇H₃NO₄)₂(C₁₀H₈N₂)₂(H₂O)₂]·2H₂O	Z = 1
M_r = 832.50	F(000) = 426
Triclinic, P1	D_x = 1.658 Mg m⁻³
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 7.2731 (11) Å	Cell parameters from 2565 reflections
b = 9.7123 (15) Å	θ = 2.5–25.0°
c = 12.2887 (19) Å	µ = 1.07 mm⁻¹
α = 98.447 (3)°	T = 294 K
β = 103.283 (3)°	Columnar, orange
γ = 91.564 (3)°	0.30 × 0.20 × 0.20 mm
V = 834.0 (2) Å³

Data collection top

Bruker SMART CCD area-detector diffractometer	2903 independent reflections
Radiation source: fine-focus sealed tube	2557 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.031
Detector resolution: 9 pixels mm^-1	θ_max = 25.0°, θ_min = 1.7°
ϕ and ω scans	h = −8→8
Absorption correction: multi-scan (SADABS; Bruker, 2001)	k = −11→11
T_min = 0.928, T_max = 0.971	l = −14→14
4799 measured reflections

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)] = 0.056	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.145	H-atom parameters constrained
S = 1.14	w = 1/[σ²(F_o²) + (0.0875P)² + 0.435P] where P = (F_o² + 2F_c²)/3
2903 reflections	(Δ/σ)_max < 0.001
244 parameters	Δρ_max = 1.58 e Å⁻³
0 restraints	Δρ_min = −0.37 e Å⁻³

Crystal data top

[Co₂(C₇H₃NO₄)₂(C₁₀H₈N₂)₂(H₂O)₂]·2H₂O	γ = 91.564 (3)°
M_r = 832.50	V = 834.0 (2) Å³
Triclinic, P1	Z = 1
a = 7.2731 (11) Å	Mo Kα radiation
b = 9.7123 (15) Å	µ = 1.07 mm⁻¹
c = 12.2887 (19) Å	T = 294 K
α = 98.447 (3)°	0.30 × 0.20 × 0.20 mm
β = 103.283 (3)°

Data collection top

Bruker SMART CCD area-detector diffractometer	2903 independent reflections
Absorption correction: multi-scan (SADABS; Bruker, 2001)	2557 reflections with I > 2σ(I)
T_min = 0.928, T_max = 0.971	R_int = 0.031
4799 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.056	0 restraints
wR(F²) = 0.145	H-atom parameters constrained
S = 1.14	Δρ_max = 1.58 e Å⁻³
2903 reflections	Δρ_min = −0.37 e Å⁻³
244 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
Co1	0.66185 (7)	0.76879 (5)	0.74280 (4)	0.0247 (2)
O1	0.3772 (4)	0.7870 (3)	0.7328 (2)	0.0354 (7)
H1A	0.2956	0.7189	0.7125	0.042*
H1B	0.3279	0.8561	0.6992	0.042*
O2	0.9431 (4)	0.7317 (3)	0.7591 (2)	0.0364 (7)
O3	1.1448 (4)	0.5714 (3)	0.7242 (3)	0.0435 (8)
O4	0.2217 (4)	0.2111 (3)	0.5635 (3)	0.0432 (8)
O5	0.3331 (4)	0.1622 (3)	0.4098 (2)	0.0381 (7)
O6	0.1195 (5)	0.9586 (4)	0.6300 (3)	0.0535 (9)
H6A	0.0183	0.9165	0.5883	0.064*
H6B	0.1367	1.0315	0.6048	0.064*
N1	0.7131 (5)	0.9779 (3)	0.8284 (3)	0.0295 (7)
N2	0.6948 (5)	0.7464 (3)	0.9180 (3)	0.0305 (8)
N3	0.6456 (4)	0.5456 (3)	0.6717 (3)	0.0254 (7)
C1	0.7223 (7)	1.0907 (5)	0.7791 (4)	0.0396 (10)
H1C	0.7019	1.0789	0.7007	0.047*
C2	0.7609 (7)	1.2242 (5)	0.8393 (4)	0.0466 (12)
H2A	0.7656	1.3007	0.8024	0.056*
C3	0.7921 (7)	1.2406 (5)	0.9552 (4)	0.0464 (12)
H3A	0.8213	1.3288	0.9982	0.056*
C4	0.7800 (6)	1.1259 (5)	1.0069 (4)	0.0378 (10)
H4A	0.7985	1.1362	1.0852	0.045*
C5	0.7403 (5)	0.9954 (4)	0.9422 (3)	0.0282 (9)
C6	0.7270 (5)	0.8659 (4)	0.9919 (3)	0.0289 (9)
C7	0.7501 (7)	0.8667 (5)	1.1072 (4)	0.0415 (11)
H7A	0.7716	0.9507	1.1569	0.050*
C8	0.7409 (7)	0.7430 (6)	1.1474 (4)	0.0481 (12)
H8A	0.7565	0.7422	1.2245	0.058*
C9	0.7083 (7)	0.6200 (5)	1.0724 (4)	0.0465 (12)
H9A	0.7011	0.5346	1.0974	0.056*
C10	0.6866 (7)	0.6277 (5)	0.9595 (4)	0.0391 (10)
H10A	0.6648	0.5446	0.9087	0.047*
C11	0.8176 (5)	0.5074 (4)	0.6603 (3)	0.0262 (8)
C12	0.8460 (6)	0.3818 (4)	0.5996 (4)	0.0325 (9)
H12A	0.9669	0.3591	0.5935	0.039*
C13	0.6905 (6)	0.2898 (4)	0.5480 (3)	0.0310 (9)
H13A	0.7052	0.2058	0.5047	0.037*
C14	0.5124 (5)	0.3253 (4)	0.5620 (3)	0.0247 (8)
C15	0.4972 (5)	0.4536 (4)	0.6248 (3)	0.0248 (8)
H15A	0.3785	0.4771	0.6349	0.030*
C16	0.9822 (5)	0.6112 (4)	0.7197 (3)	0.0286 (9)
C17	0.3412 (6)	0.2256 (4)	0.5075 (3)	0.0275 (9)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Co1	0.0275 (3)	0.0238 (3)	0.0205 (3)	−0.0027 (2)	0.0054 (2)	−0.0029 (2)
O1	0.0326 (15)	0.0318 (16)	0.0404 (18)	−0.0027 (12)	0.0074 (13)	0.0042 (13)
O2	0.0257 (14)	0.0385 (17)	0.0376 (17)	−0.0053 (12)	0.0046 (13)	−0.0119 (14)
O3	0.0263 (15)	0.0384 (17)	0.062 (2)	0.0004 (13)	0.0085 (15)	0.0009 (15)
O4	0.0427 (18)	0.0408 (18)	0.047 (2)	−0.0095 (14)	0.0219 (16)	−0.0048 (15)
O5	0.0526 (19)	0.0330 (16)	0.0231 (15)	−0.0100 (14)	0.0044 (13)	−0.0042 (12)
O6	0.053 (2)	0.0413 (19)	0.059 (2)	−0.0054 (15)	−0.0058 (17)	0.0152 (17)
N1	0.0346 (18)	0.0271 (18)	0.0251 (18)	0.0008 (14)	0.0071 (15)	−0.0010 (14)
N2	0.0353 (18)	0.0274 (18)	0.0269 (18)	0.0000 (14)	0.0065 (15)	−0.0002 (14)
N3	0.0274 (16)	0.0267 (17)	0.0220 (17)	0.0018 (13)	0.0066 (13)	0.0023 (13)
C1	0.055 (3)	0.034 (2)	0.029 (2)	0.000 (2)	0.009 (2)	0.0027 (18)
C2	0.066 (3)	0.026 (2)	0.048 (3)	0.003 (2)	0.014 (2)	0.004 (2)
C3	0.057 (3)	0.030 (2)	0.043 (3)	−0.001 (2)	0.005 (2)	−0.010 (2)
C4	0.045 (3)	0.037 (2)	0.028 (2)	0.0016 (19)	0.006 (2)	−0.0040 (18)
C5	0.0266 (19)	0.029 (2)	0.025 (2)	0.0013 (16)	0.0038 (17)	−0.0039 (16)
C6	0.030 (2)	0.032 (2)	0.022 (2)	0.0037 (16)	0.0038 (17)	−0.0002 (16)
C7	0.055 (3)	0.044 (3)	0.022 (2)	0.005 (2)	0.008 (2)	−0.0024 (19)
C8	0.058 (3)	0.062 (3)	0.027 (2)	0.008 (2)	0.010 (2)	0.013 (2)
C9	0.060 (3)	0.044 (3)	0.040 (3)	0.007 (2)	0.014 (2)	0.017 (2)
C10	0.051 (3)	0.035 (2)	0.031 (2)	0.001 (2)	0.010 (2)	0.0042 (19)
C11	0.0253 (19)	0.029 (2)	0.025 (2)	−0.0011 (16)	0.0063 (16)	0.0057 (16)
C12	0.029 (2)	0.033 (2)	0.035 (2)	0.0046 (17)	0.0110 (18)	0.0000 (18)
C13	0.034 (2)	0.031 (2)	0.027 (2)	0.0032 (17)	0.0090 (18)	−0.0020 (17)
C14	0.032 (2)	0.0254 (19)	0.0160 (18)	0.0002 (16)	0.0051 (16)	0.0036 (15)
C15	0.0251 (19)	0.028 (2)	0.0206 (19)	−0.0007 (15)	0.0057 (16)	0.0023 (15)
C16	0.027 (2)	0.035 (2)	0.022 (2)	−0.0029 (17)	0.0051 (16)	0.0033 (17)
C17	0.032 (2)	0.0219 (19)	0.027 (2)	−0.0009 (16)	0.0059 (17)	0.0020 (16)

Geometric parameters (Å, º) top

Co1—O1	2.059 (3)	C2—H2A	0.9300
Co1—O2	2.056 (3)	C3—C4	1.371 (7)
Co1—O5ⁱ	2.089 (3)	C3—H3A	0.9300
Co1—N1	2.126 (3)	C4—C5	1.379 (6)
Co1—N2	2.155 (3)	C4—H4A	0.9300
Co1—N3	2.204 (3)	C5—C6	1.487 (6)
O1—H1A	0.8446	C6—C7	1.387 (6)
O1—H1B	0.8808	C7—C8	1.370 (7)
O2—C16	1.265 (5)	C7—H7A	0.9300
O3—C16	1.246 (5)	C8—C9	1.375 (7)
O4—C17	1.243 (5)	C8—H8A	0.9300
O5—C17	1.255 (5)	C9—C10	1.374 (6)
O5—Co1ⁱ	2.089 (3)	C9—H9A	0.9300
O6—H6A	0.8484	C10—H10A	0.9300
O6—H6B	0.8317	C11—C12	1.380 (6)
N1—C1	1.334 (5)	C11—C16	1.516 (5)
N1—C5	1.351 (5)	C12—C13	1.388 (6)
N2—C10	1.333 (6)	C12—H12A	0.9300
N2—C6	1.343 (5)	C13—C14	1.391 (5)
N3—C15	1.344 (5)	C13—H13A	0.9300
N3—C11	1.347 (5)	C14—C15	1.388 (5)
C1—C2	1.382 (6)	C14—C17	1.515 (5)
C1—H1C	0.9300	C15—H15A	0.9300
C2—C3	1.374 (7)

O2—Co1—O1	174.08 (12)	C5—C4—H4A	120.2
O2—Co1—O5ⁱ	87.58 (13)	N1—C5—C4	121.3 (4)
O1—Co1—O5ⁱ	96.94 (12)	N1—C5—C6	115.8 (3)
O2—Co1—N1	95.03 (12)	C4—C5—C6	122.9 (4)
O1—Co1—N1	88.82 (12)	N2—C6—C7	121.6 (4)
O5ⁱ—Co1—N1	89.97 (12)	N2—C6—C5	115.7 (3)
O2—Co1—N2	88.54 (13)	C7—C6—C5	122.7 (4)
O1—Co1—N2	87.96 (12)	C8—C7—C6	119.5 (4)
O5ⁱ—Co1—N2	165.79 (12)	C8—C7—H7A	120.2
N1—Co1—N2	76.76 (13)	C6—C7—H7A	120.2
O2—Co1—N3	78.33 (11)	C7—C8—C9	119.3 (4)
O1—Co1—N3	97.44 (12)	C7—C8—H8A	120.3
O5ⁱ—Co1—N3	94.61 (12)	C9—C8—H8A	120.3
N1—Co1—N3	171.73 (12)	C10—C9—C8	117.8 (4)
N2—Co1—N3	97.98 (12)	C10—C9—H9A	121.1
Co1—O1—H1A	123.8	C8—C9—H9A	121.1
Co1—O1—H1B	115.0	N2—C10—C9	124.2 (4)
H1A—O1—H1B	106.9	N2—C10—H10A	117.9
C16—O2—Co1	117.4 (2)	C9—C10—H10A	117.9
C17—O5—Co1ⁱ	132.6 (3)	N3—C11—C12	123.1 (4)
H6A—O6—H6B	107.3	N3—C11—C16	115.7 (3)
C1—N1—C5	118.4 (4)	C12—C11—C16	121.2 (3)
C1—N1—Co1	125.5 (3)	C11—C12—C13	118.8 (4)
C5—N1—Co1	116.1 (3)	C11—C12—H12A	120.6
C10—N2—C6	117.5 (4)	C13—C12—H12A	120.6
C10—N2—Co1	126.9 (3)	C12—C13—C14	119.1 (4)
C6—N2—Co1	115.6 (3)	C12—C13—H13A	120.5
C15—N3—C11	117.5 (3)	C14—C13—H13A	120.5
C15—N3—Co1	131.7 (3)	C15—C14—C13	118.3 (4)
C11—N3—Co1	109.8 (2)	C15—C14—C17	121.9 (3)
N1—C1—C2	123.0 (4)	C13—C14—C17	119.9 (3)
N1—C1—H1C	118.5	N3—C15—C14	123.2 (3)
C2—C1—H1C	118.5	N3—C15—H15A	118.4
C3—C2—C1	118.1 (4)	C14—C15—H15A	118.4
C3—C2—H2A	120.9	O3—C16—O2	125.4 (4)
C1—C2—H2A	120.9	O3—C16—C11	117.3 (4)
C4—C3—C2	119.5 (4)	O2—C16—C11	117.3 (3)
C4—C3—H3A	120.2	O4—C17—O5	125.1 (4)
C2—C3—H3A	120.2	O4—C17—C14	117.8 (3)
C3—C4—C5	119.6 (4)	O5—C17—C14	117.1 (3)
C3—C4—H4A	120.2

Symmetry code: (i) −x+1, −y+1, −z+1.

Hydrogen-bond geometry (Å, º) top

Cg is the centroid of the N-pyridine ring.

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1A···O3ⁱⁱ	0.84	1.82	2.629 (4)	159
O1—H1B···O6	0.88	1.94	2.755 (5)	154
O6—H6A···O4ⁱⁱⁱ	0.85	2.40	3.232 (5)	166
O6—H6B···O4^iv	0.83	2.01	2.829 (5)	170
C4—H4A···O2^v	0.93	2.52	3.202 (5)	131
C7—H7A···O6^vi	0.93	2.57	3.332 (6)	140
C8—H8A···O4^vii	0.93	2.55	3.461 (6)	169
C9—H9A···O3^viii	0.93	2.59	3.330 (6)	137
C12—H12A···O4^ix	0.93	2.44	3.317 (5)	158
C15—H15A···O3ⁱⁱ	0.93	2.36	3.249 (5)	160
C2—H2A···Cg^iv	0.93	2.72	3.547 (5)	150

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

Experimental details

Crystal data
Chemical formula	[Co₂(C₇H₃NO₄)₂(C₁₀H₈N₂)₂(H₂O)₂]·2H₂O
M_r	832.50
Crystal system, space group	Triclinic, P1
Temperature (K)	294
a, b, c (Å)	7.2731 (11), 9.7123 (15), 12.2887 (19)
α, β, γ (°)	98.447 (3), 103.283 (3), 91.564 (3)
V (Å³)	834.0 (2)
Z	1
Radiation type	Mo Kα
µ (mm⁻¹)	1.07
Crystal size (mm)	0.30 × 0.20 × 0.20

Data collection
Diffractometer	Bruker SMART CCD area-detector diffractometer
Absorption correction	Multi-scan (SADABS; Bruker, 2001)
T_min, T_max	0.928, 0.971
No. of measured, independent and observed [I > 2σ(I)] reflections	4799, 2903, 2557
R_int	0.031
(sin θ/λ)_max (Å⁻¹)	0.595

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.056, 0.145, 1.14
No. of reflections	2903
No. of parameters	244
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	1.58, −0.37

Computer programs: SMART (Bruker, 2007), SAINT (Bruker, 2007), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), ORTEP-3 for Windows (Farrugia, 1997), PLATON (Spek, 2009).

Selected bond lengths (Å) top

Co1—O1	2.059 (3)	Co1—N1	2.126 (3)
Co1—O2	2.056 (3)	Co1—N2	2.155 (3)
Co1—O5ⁱ	2.089 (3)	Co1—N3	2.204 (3)

Symmetry code: (i) −x+1, −y+1, −z+1.

Hydrogen-bond geometry (Å, º) top

Cg is the centroid of the N-pyridine ring.

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1A···O3ⁱⁱ	0.84	1.82	2.629 (4)	159
O1—H1B···O6	0.88	1.94	2.755 (5)	154
O6—H6A···O4ⁱⁱⁱ	0.85	2.40	3.232 (5)	166
O6—H6B···O4^iv	0.83	2.01	2.829 (5)	170
C4—H4A···O2^v	0.93	2.52	3.202 (5)	131
C7—H7A···O6^vi	0.93	2.57	3.332 (6)	140
C8—H8A···O4^vii	0.93	2.55	3.461 (6)	169
C9—H9A···O3^viii	0.93	2.59	3.330 (6)	137
C12—H12A···O4^ix	0.93	2.44	3.317 (5)	158
C15—H15A···O3ⁱⁱ	0.93	2.36	3.249 (5)	160
C2—H2A···Cg^iv	0.93	2.72	3.547 (5)	150

Acknowledgements

This work was supported financially by Yuanpei University, Taiwan.

References

Aghabozorg, H., Derikvand, Z., Nemati, A. & Ghadermazi, M. (2007). Acta Cryst. E63, m2919–m2920. Web of Science CSD CrossRef IUCr Journals Google Scholar
Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA. Google Scholar
Bruker (2007). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA. Google Scholar
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Gao, H.-L., Cheng, C., Ding, B., Shi, W., Song, H.-B., Cheng, P., Liao, D.-Z., Yan, S.-P. & Jiang, Z.-H. (2005). J. Mol. Struct. 738, 105–111. Web of Science CSD CrossRef CAS Google Scholar
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Volume 67| Part 2| February 2011| Pages m278-m279

doi:10.1107/S1600536811003059

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