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Acta Cryst. (2007). E63, m2342
https://doi.org/10.1107/S1600536807038020
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Poly[(μ3-benzene-1,3-dicarboxyl­ato-κ4O,O′:O′′:O′′′)(μ4-benzene-1,3-dicarboxyl­ato-κ5O,O′:O′:O′′:O′′′)(μ2-1,3-di-4-pyridylpropane-κ2N:N′)dicobalt(II)]

T.-H. Tsao and C.-H. Lin
The hydro­(solvo)thermal reaction of zinc nitrate with benzene-1,3-dicarboxylic acid and 1,3-di-4-pyridylpropane in water and ethanol gave the title complex, [Co2(C8H4O4)2(C13H14N2)]n. The complex exhibits a twofold inter­penetrated three-dimensional structure, which is built up from distorted square-pyramidal CoO4N and octa­hedral CoO5N units, and bridging benzene-1,3-dicarboxyl­ate and 1,3-di-4-pyridylpropane ligands.
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Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807038020/hy2073sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536807038020/hy2073Isup2.hkl
Contains datablock I

CCDC reference: 660108

checkCIF report

Key indicators

  • Single-crystal X-ray study
  • T = 295 K
  • Mean [sigma](C-C) = 0.004 Å
  • R factor = 0.037
  • wR factor = 0.076
  • Data-to-parameter ratio = 17.3

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) .       1.16 Ratio


Alert level G
PLAT793_ALERT_1_G Check the Absolute Configuration of C16    = ...          S
PLAT794_ALERT_5_G Check Predicted Bond Valency for Co1         (3)       1.70
PLAT794_ALERT_5_G Check Predicted Bond Valency for Co2         (2)       1.79


   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   1 ALERT level C = Check and explain
   3 ALERT level G = General alerts; check

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   2 ALERT type 5 Informative message, check
Comment top

The synthesis of coordination polymers, the so-called metal–organic framework, has been a subject of intense research owing to their interesting structural chemistry and potential applications in gas storage, separation, catalysis, magnetism and luminescence. A large number of these materials have been synthesized by hydro(solvo)thermal reactions with mixed organic pyridines and carboxylic acids (Kitagawa et al., 2004). They commonly adopt three-dimensional framework structures via employing metal ions as nodes and rigid or flexible organic ligands as linkers. As a further study of such complexes, we report the title compound (Fig. 1), which is isostructural with [CoZn(C8H4O4)2(C13H14N2)]n (Chen et al., 2006) and has a parallel twofold interpenetrated three-dimensional structure (Fig. 2). All the geometric parameters are within normal ranges (Table 1). The two CoII atoms are five- and six-coordinated, respectively, by one N atom of the 1,3-di-4-pyridylpropane ligand and four or five O atoms of the carboxylate ligands, giving distorted square pyramidal and octahedral geometries.

Related literature top

For related literature, see: Chen et al. (2006); Kitagawa et al. (2004).

Experimental top

The hydro(solvo)thermal reaction was carried out at 423 K for 2 d in a 23 ml Teflon-lined acid digestion bomb followed by slowly cooling to room temperature at 6 K h-1. A single-phase product consisting of transparent purple crystals was obtained from a mixture of 1,3-di-4-pyridylpropane (0.086 g, 0.43 mmol), Co(NO3).6H2O (0.044 g, 0.15 mmol), benzene-1,3-dicarboxylic acid (0.073 g, 0.43 mmol), H2O (5 ml) and ethanol (5 ml). Powder X-ray diffraction measurements were performed to confirm the phase purity before all chemical and physical analyses. Thermal analyses, using a Perkin–Elmer TGA7 thermal analyzer, were performed on powder samples under flowing oxygen with a heating rate of 10 K min-1. A total weight loss of 67.8% was observed from 623 to 773 K.

Refinement top

H atoms were positioned geometrically and refined as riding atoms, with C—H = 0.93Å (CH), 0.97Å (CH2) and Uiso(H) = 1.2Ueq(C).

Structure description top

The synthesis of coordination polymers, the so-called metal–organic framework, has been a subject of intense research owing to their interesting structural chemistry and potential applications in gas storage, separation, catalysis, magnetism and luminescence. A large number of these materials have been synthesized by hydro(solvo)thermal reactions with mixed organic pyridines and carboxylic acids (Kitagawa et al., 2004). They commonly adopt three-dimensional framework structures via employing metal ions as nodes and rigid or flexible organic ligands as linkers. As a further study of such complexes, we report the title compound (Fig. 1), which is isostructural with [CoZn(C8H4O4)2(C13H14N2)]n (Chen et al., 2006) and has a parallel twofold interpenetrated three-dimensional structure (Fig. 2). All the geometric parameters are within normal ranges (Table 1). The two CoII atoms are five- and six-coordinated, respectively, by one N atom of the 1,3-di-4-pyridylpropane ligand and four or five O atoms of the carboxylate ligands, giving distorted square pyramidal and octahedral geometries.

For related literature, see: Chen et al. (2006); Kitagawa et al. (2004).

Computing details top

Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT (Bruker, 2004); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 2001); software used to prepare material for publication: SHELXTL.

Figures top
[Figure 1] Fig. 1. The asymmetric unit of the title compound, together with symmetry-related atoms to complete the Co coordination. Displacement ellipsoids are drawn at the 50% probability level. [Symmetry codes: (i) x, y + 1, z; (ii) x, y + 1, z - 1; (iii) x + 1, y, z; (iv) x, y + 1, z.]
[Figure 2] Fig. 2. View of the structure along the b direction. The organic linkers are represented by rods.
Poly[[(µ3-benzene-1,3-dicarboxylato-κ4O,O':O'':O''')(µ4– benzene-1,3-dicarboxylato-κ5O,O':O':O'':O''')(µ2-1,3-di-4- pyridylpropane-κ2N:N')dicobalt(II)] top
Crystal data top
[Co2(C8H4O4)2(C13H14N2)]Z = 2
Mr = 644.35F(000) = 656
Triclinic, P1Dx = 1.652 Mg m−3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 9.3705 (6) ÅCell parameters from 3042 reflections
b = 9.9598 (7) Åθ = 2.4–25.5°
c = 15.031 (1) ŵ = 1.34 mm−1
α = 81.334 (2)°T = 295 K
β = 72.739 (2)°Tabular, purple
γ = 76.015 (1)°0.20 × 0.05 × 0.03 mm
V = 1295.22 (15) Å3
Data collection top
Bruker Kappa-APEXII CCD area-detector
diffractometer		6411 independent reflections
Radiation source: fine-focus sealed tube4026 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.055
φ and ω scansθmax = 28.3°, θmin = 1.4°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)		h = −12→12
Tmin = 0.793, Tmax = 0.969k = −13→13
15494 measured reflectionsl = −20→19
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.037Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.076H-atom parameters constrained
S = 0.81 w = 1/[σ2(Fo2) + (0.0247P)2]
where P = (Fo2 + 2Fc2)/3
6411 reflections(Δ/σ)max = 0.013
370 parametersΔρmax = 0.56 e Å−3
0 restraintsΔρmin = −0.44 e Å−3
Crystal data top
[Co2(C8H4O4)2(C13H14N2)]γ = 76.015 (1)°
Mr = 644.35V = 1295.22 (15) Å3
Triclinic, P1Z = 2
a = 9.3705 (6) ÅMo Kα radiation
b = 9.9598 (7) ŵ = 1.34 mm−1
c = 15.031 (1) ÅT = 295 K
α = 81.334 (2)°0.20 × 0.05 × 0.03 mm
β = 72.739 (2)°
Data collection top
Bruker Kappa-APEXII CCD area-detector
diffractometer		6411 independent reflections
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)		4026 reflections with I > 2σ(I)
Tmin = 0.793, Tmax = 0.969Rint = 0.055
15494 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0370 restraints
wR(F2) = 0.076H-atom parameters constrained
S = 0.81Δρmax = 0.56 e Å−3
6411 reflectionsΔρmin = −0.44 e Å−3
370 parameters
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Co10.75864 (4)0.08878 (3)0.20151 (2)0.02702 (10)
Co20.68764 (4)−0.12244 (3)0.39787 (3)0.03015 (10)
O10.88439 (18)−0.10487 (16)0.17578 (12)0.0341 (4)
O20.7618 (2)−0.23941 (17)0.29052 (13)0.0406 (5)
O30.74129 (19)−0.69493 (17)0.20116 (13)0.0392 (5)
O40.95949 (19)−0.82411 (17)0.13263 (14)0.0430 (5)
O50.46794 (18)−0.03594 (17)0.40657 (13)0.0376 (5)
O60.53562 (18)0.09259 (18)0.27191 (12)0.0347 (4)
O7−0.0666 (2)−0.1274 (2)0.40799 (15)0.0548 (6)
O8−0.21808 (18)0.04965 (18)0.35554 (14)0.0407 (5)
N10.6565 (2)−0.2897 (2)0.49237 (14)0.0274 (5)
N20.6932 (2)−0.8902 (2)1.07549 (15)0.0324 (5)
C10.8557 (3)−0.2205 (2)0.21317 (19)0.0280 (6)
C20.9401 (3)−0.3475 (2)0.16182 (18)0.0292 (6)
C31.0840 (3)−0.3529 (3)0.1012 (2)0.0420 (7)
H3A1.1272−0.27490.08770.050*
C41.1645 (3)−0.4750 (3)0.0602 (2)0.0524 (9)
H4A1.2622−0.47900.02020.063*
C51.0996 (3)−0.5902 (3)0.0787 (2)0.0440 (8)
H5A1.1546−0.67230.05220.053*
C60.9530 (3)−0.5839 (2)0.13643 (19)0.0324 (6)
C70.8744 (3)−0.4627 (2)0.17912 (18)0.0312 (6)
H7A0.7770−0.45900.21960.037*
C80.8807 (3)−0.7078 (3)0.15697 (19)0.0324 (6)
C90.4390 (3)0.0523 (2)0.34116 (18)0.0264 (6)
C100.2745 (2)0.1136 (2)0.34641 (17)0.0255 (5)
C110.1654 (3)0.0318 (2)0.37069 (17)0.0286 (6)
H11A0.1922−0.06180.38990.034*
C120.0172 (3)0.0886 (3)0.36648 (18)0.0292 (6)
C13−0.0260 (3)0.2304 (3)0.3471 (2)0.0390 (7)
H13A−0.12690.27000.34770.047*
C140.0800 (3)0.3136 (3)0.3270 (2)0.0408 (7)
H14A0.04970.40940.31680.049*
C150.2300 (3)0.2547 (3)0.32221 (18)0.0323 (6)
H15A0.30290.30970.30260.039*
C16−0.0932 (3)−0.0037 (3)0.37848 (19)0.0353 (6)
C170.7692 (3)−0.4039 (3)0.48892 (19)0.0378 (7)
H17A0.8648−0.40000.44790.045*
C180.7500 (3)−0.5251 (3)0.54273 (19)0.0382 (7)
H18A0.8312−0.60130.53760.046*
C190.6089 (3)−0.5346 (2)0.60521 (18)0.0293 (6)
C200.4945 (3)−0.4157 (3)0.60964 (18)0.0322 (6)
H20A0.3989−0.41580.65160.039*
C210.5211 (3)−0.2984 (2)0.55279 (18)0.0287 (6)
H21A0.4414−0.22120.55630.034*
C220.5777 (3)−0.6648 (3)0.66473 (19)0.0370 (7)
H22A0.6350−0.74370.62930.044*
H22B0.4700−0.66490.67720.044*
C230.6170 (3)−0.6850 (3)0.75696 (19)0.0438 (7)
H23A0.5701−0.60200.78990.053*
H23B0.7268−0.69890.74540.053*
C240.5616 (3)−0.8100 (3)0.81811 (19)0.0406 (7)
H24A0.4511−0.79280.83220.049*
H24B0.6028−0.89110.78280.049*
C250.6061 (3)−0.8414 (3)0.90826 (19)0.0327 (6)
C260.7264 (3)−0.9455 (3)0.92081 (19)0.0361 (6)
H26A0.7812−1.00210.87280.043*
C270.7672 (3)−0.9672 (3)1.00318 (19)0.0342 (6)
H27A0.8497−1.03841.00900.041*
C280.5746 (3)−0.7884 (3)1.06415 (19)0.0418 (7)
H28A0.5206−0.73361.11320.050*
C290.5304 (3)−0.7624 (3)0.9834 (2)0.0439 (7)
H29A0.4480−0.69040.97870.053*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Co10.02627 (19)0.01979 (17)0.0341 (2)−0.00850 (14)−0.00425 (15)−0.00160 (15)
Co20.02764 (19)0.02552 (19)0.0367 (2)−0.00947 (15)−0.00748 (16)0.00301 (16)
O10.0393 (10)0.0190 (9)0.0402 (11)−0.0095 (8)−0.0035 (9)−0.0001 (8)
O20.0496 (12)0.0305 (10)0.0379 (12)−0.0191 (9)0.0035 (9)−0.0045 (9)
O30.0361 (11)0.0299 (10)0.0491 (13)−0.0161 (8)0.0030 (9)−0.0106 (9)
O40.0358 (10)0.0205 (9)0.0683 (15)−0.0093 (8)−0.0027 (10)−0.0084 (9)
O50.0311 (10)0.0358 (10)0.0451 (12)−0.0100 (8)−0.0143 (9)0.0119 (9)
O60.0239 (9)0.0437 (11)0.0354 (11)−0.0108 (8)−0.0053 (8)0.0006 (9)
O70.0596 (14)0.0549 (14)0.0656 (16)−0.0377 (11)−0.0321 (12)0.0200 (12)
O80.0211 (9)0.0406 (11)0.0657 (14)−0.0079 (8)−0.0117 (9)−0.0187 (10)
N10.0262 (11)0.0264 (11)0.0293 (12)−0.0057 (9)−0.0080 (9)−0.0008 (9)
N20.0336 (12)0.0261 (11)0.0349 (14)−0.0078 (9)−0.0054 (10)0.0001 (10)
C10.0258 (13)0.0235 (13)0.0367 (16)−0.0076 (11)−0.0094 (12)−0.0029 (12)
C20.0312 (14)0.0209 (12)0.0346 (16)−0.0062 (11)−0.0070 (12)−0.0019 (11)
C30.0377 (16)0.0267 (14)0.059 (2)−0.0161 (12)−0.0017 (14)−0.0038 (14)
C40.0335 (16)0.0307 (15)0.079 (2)−0.0131 (13)0.0137 (15)−0.0110 (16)
C50.0349 (15)0.0265 (14)0.062 (2)−0.0081 (12)0.0039 (14)−0.0104 (14)
C60.0329 (14)0.0219 (13)0.0411 (17)−0.0112 (11)−0.0045 (12)−0.0011 (12)
C70.0304 (14)0.0230 (13)0.0371 (16)−0.0097 (11)−0.0019 (12)−0.0010 (12)
C80.0368 (15)0.0239 (13)0.0361 (16)−0.0108 (12)−0.0058 (13)−0.0028 (12)
C90.0262 (13)0.0245 (13)0.0347 (16)−0.0111 (11)−0.0110 (12)−0.0061 (12)
C100.0218 (12)0.0293 (13)0.0274 (14)−0.0086 (10)−0.0065 (10)−0.0031 (11)
C110.0272 (13)0.0293 (13)0.0306 (15)−0.0101 (11)−0.0070 (11)−0.0014 (11)
C120.0229 (13)0.0348 (14)0.0327 (15)−0.0119 (11)−0.0047 (11)−0.0074 (12)
C130.0263 (14)0.0403 (16)0.057 (2)−0.0014 (12)−0.0196 (13)−0.0155 (14)
C140.0374 (16)0.0265 (14)0.066 (2)−0.0041 (12)−0.0248 (15)−0.0086 (14)
C150.0319 (14)0.0308 (14)0.0411 (17)−0.0140 (11)−0.0153 (12)−0.0005 (12)
C160.0280 (14)0.0481 (18)0.0336 (17)−0.0178 (13)−0.0033 (12)−0.0092 (14)
C170.0252 (14)0.0390 (16)0.0398 (17)−0.0017 (12)−0.0014 (12)0.0022 (13)
C180.0336 (15)0.0297 (14)0.0442 (18)0.0028 (12)−0.0080 (13)−0.0017 (13)
C190.0366 (15)0.0257 (13)0.0286 (15)−0.0110 (11)−0.0107 (12)−0.0006 (11)
C200.0293 (14)0.0324 (14)0.0305 (16)−0.0067 (11)−0.0015 (11)−0.0024 (12)
C210.0265 (13)0.0263 (13)0.0326 (15)−0.0026 (11)−0.0077 (11)−0.0057 (11)
C220.0485 (17)0.0281 (14)0.0366 (17)−0.0130 (12)−0.0136 (14)0.0026 (12)
C230.0577 (19)0.0420 (17)0.0397 (18)−0.0227 (14)−0.0202 (15)0.0064 (14)
C240.0532 (18)0.0361 (16)0.0382 (17)−0.0174 (13)−0.0174 (14)0.0026 (13)
C250.0394 (15)0.0286 (14)0.0322 (16)−0.0152 (12)−0.0101 (13)0.0048 (12)
C260.0442 (16)0.0283 (14)0.0329 (17)−0.0087 (12)−0.0041 (13)−0.0044 (12)
C270.0330 (15)0.0267 (14)0.0395 (18)−0.0029 (11)−0.0074 (13)−0.0028 (12)
C280.0432 (17)0.0393 (16)0.0323 (17)0.0062 (13)−0.0055 (13)−0.0046 (13)
C290.0401 (17)0.0405 (17)0.0426 (19)0.0050 (13)−0.0113 (14)0.0006 (14)
Geometric parameters (Å, º) top
Co1—O12.0283 (16)C7—H7A0.9300
Co1—O62.0371 (16)C8—Co1iv2.474 (2)
Co1—O3i2.1202 (16)C9—C101.498 (3)
Co1—N2ii2.125 (2)C10—C151.391 (3)
Co1—O4i2.1747 (17)C10—C111.390 (3)
Co1—O8iii2.355 (2)C11—C121.383 (3)
Co2—O21.9884 (18)C11—H11A0.9300
Co2—O52.0036 (16)C12—C131.383 (3)
Co2—N12.038 (2)C12—C161.498 (3)
Co2—O8iii2.0476 (17)C13—C141.382 (3)
Co2—O7iii2.3408 (18)C13—H13A0.9300
O1—C11.257 (3)C14—C151.371 (3)
O2—C11.253 (3)C14—H14A0.9300
O3—C81.263 (3)C15—H15A0.9300
O3—Co1iv2.1202 (16)C17—C181.367 (3)
O4—C81.255 (3)C17—H17A0.9300
O4—Co1iv2.1747 (17)C18—C191.391 (3)
O5—C91.263 (3)C18—H18A0.9300
O6—C91.247 (3)C19—C201.387 (3)
O7—C161.237 (3)C19—C221.499 (3)
O7—Co2v2.3408 (18)C20—C211.368 (3)
O8—C161.286 (3)C20—H20A0.9300
O8—Co2v2.0476 (17)C21—H21A0.9300
O8—Co1v2.355 (2)C22—C231.511 (4)
N1—C211.337 (3)C22—H22A0.9700
N1—C171.347 (3)C22—H22B0.9700
N2—C271.340 (3)C23—C241.533 (3)
N2—C281.345 (3)C23—H23A0.9700
N2—Co1vi2.125 (2)C23—H23B0.9700
C1—C21.506 (3)C24—C251.501 (4)
C2—C31.380 (3)C24—H24A0.9700
C2—C71.385 (3)C24—H24B0.9700
C3—C41.390 (3)C25—C261.373 (3)
C3—H3A0.9300C25—C291.386 (4)
C4—C51.381 (3)C26—C271.373 (4)
C4—H4A0.9300C26—H26A0.9300
C5—C61.382 (3)C27—H27A0.9300
C5—H5A0.9300C28—C291.365 (4)
C6—C71.391 (3)C28—H28A0.9300
C6—C81.497 (3)C29—H29A0.9300
O1—Co1—O6113.69 (7)C6—C8—Co1iv176.4 (2)
O1—Co1—O3i151.03 (7)O6—C9—O5125.7 (2)
O6—Co1—O3i95.02 (7)O6—C9—C10116.8 (2)
O1—Co1—N2ii91.35 (7)O5—C9—C10117.5 (2)
O6—Co1—N2ii87.65 (7)C15—C10—C11118.8 (2)
O3i—Co1—N2ii93.69 (7)C15—C10—C9119.5 (2)
O1—Co1—O4i90.17 (6)C11—C10—C9121.7 (2)
O6—Co1—O4i156.14 (7)C12—C11—C10120.5 (2)
O3i—Co1—O4i61.15 (6)C12—C11—H11A119.7
N2ii—Co1—O4i92.41 (8)C10—C11—H11A119.7
O1—Co1—O8iii89.58 (7)C11—C12—C13119.4 (2)
O6—Co1—O8iii80.86 (6)C11—C12—C16120.2 (2)
O3i—Co1—O8iii91.36 (7)C13—C12—C16120.4 (2)
N2ii—Co1—O8iii167.81 (7)C14—C13—C12120.3 (2)
O4i—Co1—O8iii99.74 (7)C14—C13—H13A119.9
O1—Co1—C8i120.49 (8)C12—C13—H13A119.9
O6—Co1—C8i125.71 (8)C15—C14—C13119.9 (2)
O3i—Co1—C8i30.69 (7)C15—C14—H14A120.1
N2ii—Co1—C8i94.06 (8)C13—C14—H14A120.1
O4i—Co1—C8i30.47 (7)C14—C15—C10120.7 (2)
O8iii—Co1—C8i95.93 (7)C14—C15—H15A119.7
O2—Co2—O5106.63 (8)C10—C15—H15A119.7
O2—Co2—N192.31 (8)O7—C16—O8120.1 (2)
O5—Co2—N198.57 (7)O7—C16—C12122.3 (2)
O2—Co2—O8iii106.80 (7)O8—C16—C12117.6 (2)
O5—Co2—O8iii100.11 (7)N1—C17—C18123.2 (2)
N1—Co2—O8iii148.00 (8)N1—C17—H17A118.4
O2—Co2—O7iii94.08 (8)C18—C17—H17A118.4
O5—Co2—O7iii154.82 (8)C17—C18—C19120.1 (2)
N1—Co2—O7iii94.67 (7)C17—C18—H18A120.0
O8iii—Co2—O7iii59.32 (7)C19—C18—H18A120.0
C1—O1—Co1129.32 (16)C20—C19—C18116.3 (2)
C1—O2—Co2128.46 (16)C20—C19—C22120.4 (2)
C8—O3—Co1iv90.33 (14)C18—C19—C22123.2 (2)
C8—O4—Co1iv88.07 (15)C21—C20—C19120.5 (2)
C9—O5—Co2117.62 (16)C21—C20—H20A119.7
C9—O6—Co1149.34 (17)C19—C20—H20A119.7
C16—O7—Co2v84.13 (15)N1—C21—C20123.1 (2)
C16—O8—Co2v96.22 (16)N1—C21—H21A118.5
C16—O8—Co1v125.14 (16)C20—C21—H21A118.5
Co2v—O8—Co1v98.83 (7)C19—C22—C23115.4 (2)
C21—N1—C17116.8 (2)C19—C22—H22A108.4
C21—N1—Co2122.43 (16)C23—C22—H22A108.4
C17—N1—Co2120.33 (17)C19—C22—H22B108.4
C27—N2—C28116.7 (2)C23—C22—H22B108.4
C27—N2—Co1vi124.54 (17)H22A—C22—H22B107.5
C28—N2—Co1vi118.67 (18)C22—C23—C24111.4 (2)
O1—C1—O2125.2 (2)C22—C23—H23A109.3
O1—C1—C2118.1 (2)C24—C23—H23A109.3
O2—C1—C2116.7 (2)C22—C23—H23B109.3
C3—C2—C7119.6 (2)C24—C23—H23B109.3
C3—C2—C1121.1 (2)H23A—C23—H23B108.0
C7—C2—C1119.2 (2)C25—C24—C23114.1 (2)
C2—C3—C4120.0 (2)C25—C24—H24A108.7
C2—C3—H3A120.0C23—C24—H24A108.7
C4—C3—H3A120.0C25—C24—H24B108.7
C5—C4—C3120.2 (3)C23—C24—H24B108.7
C5—C4—H4A119.9H24A—C24—H24B107.6
C3—C4—H4A119.9C26—C25—C29115.7 (2)
C4—C5—C6120.2 (2)C26—C25—C24122.8 (3)
C4—C5—H5A119.9C29—C25—C24121.4 (2)
C6—C5—H5A119.9C25—C26—C27121.0 (2)
C5—C6—C7119.5 (2)C25—C26—H26A119.5
C5—C6—C8120.8 (2)C27—C26—H26A119.5
C7—C6—C8119.6 (2)N2—C27—C26122.8 (2)
C2—C7—C6120.5 (2)N2—C27—H27A118.6
C2—C7—H7A119.7C26—C27—H27A118.6
C6—C7—H7A119.7N2—C28—C29122.6 (3)
O4—C8—O3120.4 (2)N2—C28—H28A118.7
O4—C8—C6120.1 (2)C29—C28—H28A118.7
O3—C8—C6119.5 (2)C28—C29—C25121.2 (2)
O4—C8—Co1iv61.46 (13)C28—C29—H29A119.4
O3—C8—Co1iv58.97 (12)C25—C29—H29A119.4
Symmetry codes: (i) x, y+1, z; (ii) x, y+1, z−1; (iii) x+1, y, z; (iv) x, y−1, z; (v) x−1, y, z; (vi) x, y−1, z+1.

Experimental details

Crystal data
Chemical formula[Co2(C8H4O4)2(C13H14N2)]
Mr644.35
Crystal system, space groupTriclinic, P1
Temperature (K)295
a, b, c (Å)9.3705 (6), 9.9598 (7), 15.031 (1)
α, β, γ (°)81.334 (2), 72.739 (2), 76.015 (1)
V (Å3)1295.22 (15)
Z2
Radiation typeMo Kα
µ (mm−1)1.34
Crystal size (mm)0.20 × 0.05 × 0.03
Data collection
DiffractometerBruker Kappa-APEXII CCD area-detector
Absorption correctionMulti-scan
(SADABS; Sheldrick, 1996)
Tmin, Tmax0.793, 0.969
No. of measured, independent and
observed [I > 2σ(I)] reflections		15494, 6411, 4026
Rint0.055
(sin θ/λ)max (Å−1)0.667
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.037, 0.076, 0.81
No. of reflections6411
No. of parameters370
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å−3)0.56, −0.44

Computer programs: APEX2 (Bruker, 2004), SAINT (Bruker, 2004), SAINT, SHELXS97 (Sheldrick, 1997), SHELXL97 (Sheldrick, 1997), SHELXTL (Bruker, 2001), SHELXTL.

Selected geometric parameters (Å, º) top
Co1—O12.0283 (16)Co2—O21.9884 (18)
Co1—O62.0371 (16)Co2—O52.0036 (16)
Co1—O3i2.1202 (16)Co2—N12.038 (2)
Co1—N2ii2.125 (2)Co2—O8iii2.0476 (17)
Co1—O4i2.1747 (17)Co2—O7iii2.3408 (18)
Co1—O8iii2.355 (2)
O1—Co1—O6113.69 (7)N2ii—Co1—O8iii167.81 (7)
O1—Co1—O3i151.03 (7)O4i—Co1—O8iii99.74 (7)
O6—Co1—O3i95.02 (7)O2—Co2—O5106.63 (8)
O1—Co1—N2ii91.35 (7)O2—Co2—N192.31 (8)
O6—Co1—N2ii87.65 (7)O5—Co2—N198.57 (7)
O3i—Co1—N2ii93.69 (7)O2—Co2—O8iii106.80 (7)
O1—Co1—O4i90.17 (6)O5—Co2—O8iii100.11 (7)
O6—Co1—O4i156.14 (7)N1—Co2—O8iii148.00 (8)
O3i—Co1—O4i61.15 (6)O2—Co2—O7iii94.08 (8)
N2ii—Co1—O4i92.41 (8)O5—Co2—O7iii154.82 (8)
O1—Co1—O8iii89.58 (7)N1—Co2—O7iii94.67 (7)
O6—Co1—O8iii80.86 (6)O8iii—Co2—O7iii59.32 (7)
O3i—Co1—O8iii91.36 (7)
Symmetry codes: (i) x, y+1, z; (ii) x, y+1, z−1; (iii) x+1, y, z.
 

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