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Acta Cryst. (2007). E63, m2557    [ doi:10.1107/S1600536807044121 ]

Poly[bis([mu]2-pyridine-2,6-dicarboxylato)cobalt(II)disodium(I)]

F.-C. Liu and J. Ouyang

Abstract top

The title compound, [Na2Co(C7H3NO4)2]n, is isostructural with the nickel(II) analog. In the crystal structure, the Co cation is coordinated by two N atoms and four O atoms of two pyridine-2,6-dicarboxylate groups with a strongly distorted octahedral geometry. The Na cations are coordinated by six O atoms of pyridine-2,6-dicarboxylate anions in an irregular geometry. The bis(pyridine-2,6-dicarboxylato)cobalt complexes are connected by the sodium cations into a three-dimensional coordination network.

Comment top

Poly[bis(pyridine-2,6-dicarboxylato) cobalt(II)disodium(I)] (I)is isostructural with the nickel(II) analogs, whose structures has been reported recently (Xiang et al., 2006). In the crystal structure the Co cation is coordinated by two nitrogen atoms and four oxygen atoms of two pyridine-2,6-dicarboxylato groups within an strongly distorted octahedra (Fig. 1). The Na cations are coordinated by six oxygen atoms of the pyridine-2,6-dicarboxylato anions in irregula geometry. The bis(pyridine-2,6-dicarboxylato cobalt complexes are connected by the sodium cations into a three-dimensional coordination network.

Related literature top

For the nickel(II) analog, see: Xiang et al. (2006).

Experimental top

A mixture of Co(NO3)2.6 H2O(0.145 g, 0.5 mmol), NaN3(0.038 g, 0.5 mmol), pyridyl-2,6-dicarboxylic acid(0.085 g, 0.5 mmol) and H2O(18 g, 1 mol) in a ratio of 1:1:1:2000 was sealed in a Teflon-lined autoclave and heated at 413k for 72 h. On cooling to room temperature purple coloured crystals have grown. Yield, 30%, based on cobalt.

Refinement top

The H atoms were positioned with idealized geometry and were refined isotropic with Uiso(H) = 1.2 Ueq(C) using a riding model with C—H = 0.93 Å.

Computing details top

Data collection: SMART (Bruker, 1998); cell refinement: SAINT (Bruker, 1998); data reduction: SAINT and SHELXTL (Bruker, 1998); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1998); software used to prepare material for publication: SHELXTL (Bruker, 1998).

Figures top
[Figure 1] Fig. 1. Crystal structure of compound (I) with labeling and displacement ellipsoids drawn at the 50% probability level. Symmetry codes: A = x,-y + 3/2,-z − 3/2.
Poly[bis(µ2-pyridine-2,6-dicarboxylato)cobalt(II)disodium(I)] top
Crystal data top
[Na2Co(C7H3NO4)2]Dx = 1.922 Mg m−3
Mr = 435.12Mo Kα radiation
λ = 0.71073 Å
Orthorhombic, PnnaCell parameters from 12804 reflections
a = 14.476 (3) Åθ = 3.2–27.6º
b = 12.643 (3) ŵ = 1.25 mm−1
c = 8.2179 (16) ÅT = 293 (2) K
V = 1504.0 (5) Å3Prism, purple
Z = 40.5 × 0.4 × 0.4 mm
F000 = 868
Data collection top
Bruker SMART CCD area-detector
diffractometer		1401 independent reflections
Radiation source: fine-focus sealed tube1288 reflections with I > 2σ(I)
Monochromator: graphiteRint = 0.045
T = 293(2) Kθmax = 25.5º
φ and ω scanθmin = 3.2º
Absorption correction: multi-scan
(SADABS; Bruker, 1998)		h = −17→17
Tmin = 0.560, Tmax = 0.611k = −15→15
12550 measured reflectionsl = −9→9
Refinement top
Refinement on F2Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: fullH-atom parameters constrained
R[F2 > 2σ(F2)] = 0.029  w = 1/[σ2(Fo2) + (0.0255P)2 + 1.1266P]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.069(Δ/σ)max = 0.001
S = 1.16Δρmax = 0.25 e Å−3
1401 reflectionsΔρmin = −0.28 e Å−3
124 parametersExtinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.0131 (9)
Secondary atom site location: difference Fourier map
Crystal data top
[Na2Co(C7H3NO4)2]V = 1504.0 (5) Å3
Mr = 435.12Z = 4
Orthorhombic, PnnaMo Kα
a = 14.476 (3) ŵ = 1.25 mm−1
b = 12.643 (3) ÅT = 293 (2) K
c = 8.2179 (16) Å0.5 × 0.4 × 0.4 mm
Data collection top
Bruker SMART CCD area-detector
diffractometer		1401 independent reflections
Absorption correction: multi-scan
(SADABS; Bruker, 1998)		1288 reflections with I > 2σ(I)
Tmin = 0.560, Tmax = 0.611Rint = 0.045
12550 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.029124 parameters
wR(F2) = 0.069H-atom parameters constrained
S = 1.16Δρmax = 0.25 e Å−3
1401 reflectionsΔρmin = −0.28 e Å−3
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
xyzUiso*/Ueq
Co10.48472 (3)0.7500−0.75000.02158 (17)
Na10.26971 (6)0.64416 (7)−0.10636 (11)0.0271 (2)
N10.46109 (12)0.59694 (13)−0.6959 (2)0.0184 (4)
O30.38369 (11)0.75524 (11)−0.5514 (2)0.0323 (4)
C50.39461 (13)0.57119 (16)−0.5917 (2)0.0187 (4)
C20.48779 (15)0.41704 (17)−0.7593 (3)0.0229 (5)
H2A0.51990.3657−0.81740.027*
C10.50857 (14)0.52354 (17)−0.7765 (2)0.0186 (5)
C40.37083 (15)0.46689 (17)−0.5658 (3)0.0242 (5)
H4A0.32470.4489−0.49200.029*
C30.41763 (16)0.38953 (17)−0.6527 (3)0.0271 (5)
H3A0.40180.3188−0.63940.033*
O40.29805 (11)0.65269 (13)−0.39208 (19)0.0290 (4)
C70.35443 (14)0.66626 (16)−0.5038 (3)0.0219 (5)
O10.59125 (11)0.66942 (12)−0.87976 (19)0.0272 (4)
C60.58828 (14)0.56926 (16)−0.8724 (3)0.0204 (5)
O20.64704 (10)0.50923 (12)−0.9290 (2)0.0307 (4)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Co10.0246 (3)0.0128 (2)0.0274 (3)0.0000.000−0.00046 (17)
Na10.0257 (5)0.0220 (4)0.0336 (5)−0.0015 (4)0.0005 (4)−0.0036 (4)
N10.0182 (9)0.0156 (9)0.0215 (9)0.0007 (7)−0.0011 (7)−0.0013 (7)
O30.0372 (9)0.0189 (8)0.0408 (10)−0.0002 (7)0.0139 (8)−0.0046 (7)
C50.0165 (10)0.0207 (11)0.0190 (10)−0.0004 (8)−0.0016 (8)−0.0009 (9)
C20.0242 (11)0.0176 (11)0.0269 (12)0.0026 (9)−0.0038 (9)−0.0047 (9)
C10.0186 (10)0.0172 (11)0.0200 (11)0.0021 (8)−0.0041 (8)−0.0013 (8)
C40.0225 (11)0.0221 (11)0.0280 (12)−0.0035 (9)0.0009 (9)0.0028 (9)
C30.0306 (12)0.0150 (10)0.0357 (13)−0.0049 (9)−0.0031 (10)0.0010 (9)
O40.0253 (8)0.0332 (9)0.0284 (9)−0.0032 (7)0.0080 (7)−0.0075 (7)
C70.0172 (10)0.0234 (11)0.0250 (11)0.0003 (9)−0.0015 (9)−0.0046 (10)
O10.0262 (8)0.0189 (8)0.0365 (9)−0.0022 (6)0.0074 (7)−0.0010 (7)
C60.0194 (10)0.0218 (11)0.0201 (11)0.0018 (9)−0.0031 (9)−0.0012 (9)
O20.0245 (8)0.0277 (8)0.0398 (10)0.0075 (7)0.0074 (7)−0.0022 (7)
Geometric parameters (Å, °) top
Co1—N1i2.0149 (17)O3—Na1iii2.4538 (17)
Co1—N12.0149 (17)C5—C41.379 (3)
Co1—O1i2.1338 (16)C5—C71.518 (3)
Co1—O12.1338 (16)C2—C31.386 (3)
Co1—O3i2.1923 (16)C2—C11.387 (3)
Co1—O32.1923 (16)C2—H2A0.9300
Na1—O2ii2.3017 (18)C1—C61.512 (3)
Na1—O42.3860 (19)C4—C31.388 (3)
Na1—O3iii2.4538 (17)C4—H4A0.9300
Na1—O2iv2.4795 (18)C3—H3A0.9300
Na1—O4iii2.6009 (19)O4—C71.240 (3)
Na1—O1iv2.6056 (18)O4—Na1iii2.6009 (19)
Na1—C6iv2.797 (2)C7—Na1iii2.840 (2)
Na1—C7iii2.840 (2)O1—C61.268 (3)
Na1—Na1iii3.5686 (18)O1—Na1vi2.6056 (18)
Na1—Na1v3.6896 (18)C6—O21.231 (3)
N1—C51.329 (3)C6—Na1vi2.797 (2)
N1—C11.331 (3)O2—Na1ii2.3017 (18)
O3—C71.264 (3)O2—Na1vi2.4795 (18)
N1i—Co1—N1160.46 (10)O2ii—Na1—Na1v41.28 (4)
N1i—Co1—O1i76.97 (6)O4—Na1—Na1v94.08 (4)
N1—Co1—O1i118.09 (6)O3iii—Na1—Na1v128.03 (5)
N1i—Co1—O1118.09 (6)O2iv—Na1—Na1v37.77 (4)
N1—Co1—O176.97 (6)O4iii—Na1—Na1v179.67 (5)
O1i—Co1—O187.44 (9)O1iv—Na1—Na1v88.15 (5)
N1i—Co1—O3i75.60 (6)C6iv—Na1—Na1v61.34 (5)
N1—Co1—O3i91.27 (6)C7iii—Na1—Na1v154.22 (5)
O1i—Co1—O3i150.29 (6)Na1iii—Na1—Na1v137.81 (3)
O1—Co1—O3i95.49 (6)C5—N1—C1121.60 (18)
N1i—Co1—O391.27 (6)C5—N1—Co1120.04 (14)
N1—Co1—O375.60 (6)C1—N1—Co1118.15 (14)
O1i—Co1—O395.49 (6)C7—O3—Co1115.29 (13)
O1—Co1—O3150.29 (6)C7—O3—Na1iii94.14 (13)
O3i—Co1—O396.31 (10)Co1—O3—Na1iii149.04 (8)
O2ii—Na1—O494.15 (6)N1—C5—C4120.97 (19)
O2ii—Na1—O3iii91.02 (6)N1—C5—C7112.96 (18)
O4—Na1—O3iii112.39 (7)C4—C5—C7126.00 (19)
O2ii—Na1—O2iv77.32 (6)C3—C2—C1117.9 (2)
O4—Na1—O2iv105.64 (6)C3—C2—H2A121.1
O3iii—Na1—O2iv140.91 (7)C1—C2—H2A121.1
O2ii—Na1—O4iii138.59 (6)N1—C1—C2120.92 (19)
O4—Na1—O4iii85.61 (6)N1—C1—C6112.77 (18)
O3iii—Na1—O4iii52.03 (5)C2—C1—C6126.14 (19)
O2iv—Na1—O4iii142.46 (6)C5—C4—C3118.2 (2)
O2ii—Na1—O1iv128.90 (6)C5—C4—H4A120.9
O4—Na1—O1iv97.00 (6)C3—C4—H4A120.9
O3iii—Na1—O1iv128.78 (6)C2—C3—C4120.4 (2)
O2iv—Na1—O1iv51.64 (5)C2—C3—H3A119.8
O4iii—Na1—O1iv92.02 (5)C4—C3—H3A119.8
O2ii—Na1—C6iv102.37 (7)C7—O4—Na1147.97 (14)
O4—Na1—C6iv96.62 (6)C7—O4—Na1iii87.91 (13)
O3iii—Na1—C6iv147.12 (7)Na1—O4—Na1iii91.28 (6)
O2iv—Na1—C6iv26.11 (6)O4—C7—O3125.0 (2)
O4iii—Na1—C6iv118.82 (6)O4—C7—C5119.65 (19)
O1iv—Na1—C6iv26.86 (5)O3—C7—C5115.38 (18)
O2ii—Na1—C7iii116.40 (7)O4—C7—Na1iii66.22 (12)
O4—Na1—C7iii101.61 (7)O3—C7—Na1iii59.51 (11)
O3iii—Na1—C7iii26.35 (6)C5—C7—Na1iii170.10 (15)
O2iv—Na1—C7iii148.47 (7)C6—O1—Co1115.36 (14)
O4iii—Na1—C7iii25.87 (5)C6—O1—Na1vi85.03 (12)
O1iv—Na1—C7iii109.79 (6)Co1—O1—Na1vi142.84 (8)
C6iv—Na1—C7iii135.31 (7)O2—C6—O1125.0 (2)
O2ii—Na1—Na1iii135.68 (5)O2—C6—C1119.25 (19)
O4—Na1—Na1iii46.77 (4)O1—C6—C1115.61 (18)
O3iii—Na1—Na1iii87.76 (5)O2—C6—Na1vi62.38 (12)
O2iv—Na1—Na1iii126.41 (5)O1—C6—Na1vi68.12 (12)
O4iii—Na1—Na1iii41.95 (4)C1—C6—Na1vi151.45 (14)
O1iv—Na1—Na1iii83.06 (4)C6—O2—Na1ii146.43 (15)
C6iv—Na1—Na1iii102.27 (5)C6—O2—Na1vi91.51 (13)
C7iii—Na1—Na1iii65.04 (5)Na1ii—O2—Na1vi100.95 (6)
N1i—Co1—N1—C5−41.45 (15)O1iv—Na1—O4—Na1iii73.59 (6)
O1i—Co1—N1—C596.22 (16)C6iv—Na1—O4—Na1iii100.64 (6)
O1—Co1—N1—C5176.12 (16)C7iii—Na1—O4—Na1iii−38.34 (7)
O3i—Co1—N1—C5−88.54 (16)Na1v—Na1—O4—Na1iii162.22 (3)
O3—Co1—N1—C57.66 (15)Na1—O4—C7—O3−79.0 (4)
N1i—Co1—N1—C1133.33 (15)Na1iii—O4—C7—O310.1 (2)
O1i—Co1—N1—C1−88.99 (16)Na1—O4—C7—C599.9 (3)
O1—Co1—N1—C1−9.10 (15)Na1iii—O4—C7—C5−171.07 (17)
O3i—Co1—N1—C186.25 (16)Na1—O4—C7—Na1iii−89.1 (2)
O3—Co1—N1—C1−177.56 (16)Co1—O3—C7—O4179.17 (17)
N1i—Co1—O3—C7161.39 (16)Na1iii—O3—C7—O4−10.7 (2)
N1—Co1—O3—C7−3.95 (16)Co1—O3—C7—C50.3 (2)
O1i—Co1—O3—C7−121.58 (16)Na1iii—O3—C7—C5170.39 (15)
O1—Co1—O3—C7−27.1 (2)Co1—O3—C7—Na1iii−170.12 (15)
O3i—Co1—O3—C785.74 (16)N1—C5—C7—O4−173.18 (18)
N1i—Co1—O3—Na1iii0.83 (17)C4—C5—C7—O43.7 (3)
N1—Co1—O3—Na1iii−164.51 (18)N1—C5—C7—O35.8 (3)
O1i—Co1—O3—Na1iii77.86 (17)C4—C5—C7—O3−177.3 (2)
O1—Co1—O3—Na1iii172.34 (12)N1—C5—C7—Na1iii62.5 (9)
O3i—Co1—O3—Na1iii−74.82 (16)C4—C5—C7—Na1iii−120.5 (8)
C1—N1—C5—C4−1.4 (3)N1i—Co1—O1—C6−162.89 (14)
Co1—N1—C5—C4173.17 (16)N1—Co1—O1—C63.74 (15)
C1—N1—C5—C7175.65 (18)O1i—Co1—O1—C6123.35 (17)
Co1—N1—C5—C7−9.7 (2)O3i—Co1—O1—C6−86.29 (15)
C5—N1—C1—C22.5 (3)O3—Co1—O1—C626.7 (2)
Co1—N1—C1—C2−172.17 (16)N1i—Co1—O1—Na1vi79.30 (13)
C5—N1—C1—C6−172.97 (17)N1—Co1—O1—Na1vi−114.07 (13)
Co1—N1—C1—C612.3 (2)O1i—Co1—O1—Na1vi5.54 (7)
C3—C2—C1—N1−1.5 (3)O3i—Co1—O1—Na1vi155.90 (12)
C3—C2—C1—C6173.37 (19)O3—Co1—O1—Na1vi−91.06 (16)
N1—C5—C4—C3−0.6 (3)Co1—O1—C6—O2−174.52 (17)
C7—C5—C4—C3−177.3 (2)Na1vi—O1—C6—O2−27.0 (2)
C1—C2—C3—C4−0.6 (3)Co1—O1—C6—C11.4 (2)
C5—C4—C3—C21.6 (3)Na1vi—O1—C6—C1149.01 (16)
O2ii—Na1—O4—C7−68.3 (3)Co1—O1—C6—Na1vi−147.57 (12)
O3iii—Na1—O4—C724.6 (3)N1—C1—C6—O2167.43 (19)
O2iv—Na1—O4—C7−146.3 (3)C2—C1—C6—O2−7.8 (3)
O4iii—Na1—O4—C770.2 (3)N1—C1—C6—O1−8.8 (3)
O1iv—Na1—O4—C7161.7 (3)C2—C1—C6—O1176.0 (2)
C6iv—Na1—O4—C7−171.3 (3)N1—C1—C6—Na1vi82.2 (3)
C7iii—Na1—O4—C749.8 (3)C2—C1—C6—Na1vi−93.1 (3)
Na1iii—Na1—O4—C788.1 (3)O1—C6—O2—Na1ii140.9 (2)
Na1v—Na1—O4—C7−109.7 (3)C1—C6—O2—Na1ii−35.0 (4)
O2ii—Na1—O4—Na1iii−156.38 (5)Na1vi—C6—O2—Na1ii112.5 (3)
O3iii—Na1—O4—Na1iii−63.55 (7)O1—C6—O2—Na1vi28.3 (2)
O2iv—Na1—O4—Na1iii125.64 (5)C1—C6—O2—Na1vi−147.49 (16)
O4iii—Na1—O4—Na1iii−17.91 (7)
Symmetry codes: (i) x, −y+3/2, −z−3/2; (ii) −x+1, −y+1, −z−1; (iii) x, −y+3/2, −z−1/2; (iv) x−1/2, y, −z−1; (v) −x+1/2, −y+1, z; (vi) x+1/2, y, −z−1.
references
References top

Bruker (1998). SMART (Version 5.051), SAINT (Version 5.01), SADABS (Version 2.03) and SHELXTL (Version 6.1). Bruker AXS Inc., Madison, Wisconsin, USA.

Sheldrick, G. M. (1997). SHELXL97 and SHELXS97. University of Göttingen, Germany.

Xiang, J., Yin, Y.-G. & Huang, X.-C. (2006). Acta Cryst. E62, m213–m215.