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The title neutral complex, [Co(HG)2(H2O)2] or [Co(C2H3O3)2(H2O)2], contains monoanionic O,O'-bidentate glycolate ligands that chelate the cobalt(II) ion through the carboxyl­ate and hydroxyl O atoms to form five-membered chelate rings. The configuration around the cobalt ion can be described as all-cis. The nature of the ligands permits the formation of a supramolecular architecture based on hydrogen bonding.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803015083/ac6049sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536803015083/ac6049Isup2.hkl
Contains datablock I

CCDC reference: 221625

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.002 Å
  • R factor = 0.023
  • wR factor = 0.052
  • Data-to-parameter ratio = 13.8

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry








Computing details top

Data collection: SMART (Bruker, 1998); cell refinement: SMART (Bruker, 1998); data reduction: SAINT (Bruker, 1998); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 2000) and SCHAKAL (Keller, 1999); software used to prepare material for publication: SHELXTL (Bruker, 2000).

(I) top
Crystal data top
[Co(C2H3O3)2(H2O)2]F(000) = 500
Mr = 245.05Dx = 1.943 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P2ybcCell parameters from 2202 reflections
a = 11.5388 (9) Åθ = 1.8–28.0°
b = 5.8330 (4) ŵ = 2.06 mm1
c = 12.4477 (9) ÅT = 293 K
β = 91.4537 (14)°Prism, pink
V = 837.53 (11) Å30.36 × 0.13 × 0.11 mm
Z = 4
Data collection top
CCD area detector
diffractometer
1964 independent reflections
Radiation source: fine-focus sealed tube1602 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.023
φ and ω scansθmax = 28.0°, θmin = 1.8°
Absorption correction: multi-scan
SADABS (Sheldrick, 1996)
h = 1314
Tmin = 0.611, Tmax = 0.797k = 77
5031 measured reflectionsl = 1615
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)] = 0.024Hydrogen site location: mixed
wR(F2) = 0.053H atoms treated by a mixture of independent and constrained refinement
S = 0.94 w = 1/[σ2(Fo2) + (0.0247P)2 + 0.4285P]
where P = (Fo2 + 2Fc2)/3
1964 reflections(Δ/σ)max = 0.001
142 parametersΔρmax = 0.28 e Å3
2 restraintsΔρmin = 0.25 e Å3
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
Co0.25965 (2)0.13328 (4)0.160112 (18)0.02436 (8)
O10.41268 (13)0.2949 (3)0.19709 (14)0.0380 (4)
O20.22921 (13)0.0993 (3)0.32407 (11)0.0337 (3)
O110.30574 (11)0.1296 (2)0.00242 (9)0.0320 (3)
O120.40474 (12)0.0613 (2)0.12429 (10)0.0380 (3)
O130.32193 (13)0.1998 (2)0.14107 (10)0.0328 (3)
C110.35881 (16)0.0448 (3)0.03494 (14)0.0271 (4)
C120.36884 (17)0.2502 (3)0.03888 (14)0.0306 (4)
H12A0.32760.37890.00680.037*
H12B0.44970.29290.04810.037*
O210.16890 (11)0.4379 (2)0.14399 (10)0.0319 (3)
O220.00246 (11)0.60591 (19)0.12195 (9)0.0270 (3)
O230.08599 (12)0.0252 (2)0.13200 (11)0.0345 (3)
C210.06093 (16)0.4321 (3)0.12972 (13)0.0226 (4)
C220.00151 (15)0.2011 (3)0.12315 (14)0.0245 (4)
H22A0.05310.18680.18070.029*
H22B0.04100.18740.05520.029*
H110.477 (2)0.236 (4)0.1780 (18)0.060 (8)*
H120.418 (2)0.360 (4)0.254 (2)0.060 (8)*
H230.053 (2)0.111 (4)0.1269 (17)0.051 (7)*
H130.278 (2)0.305 (4)0.161 (2)0.087 (10)*
H210.1576 (19)0.091 (4)0.3427 (16)0.042 (6)*
H220.260 (2)0.180 (4)0.3706 (17)0.065 (8)*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Co0.02788 (14)0.01814 (13)0.02727 (14)0.00136 (11)0.00496 (9)0.00130 (10)
O10.0289 (8)0.0400 (9)0.0451 (9)0.0001 (7)0.0049 (7)0.0144 (7)
O20.0316 (8)0.0409 (9)0.0287 (7)0.0063 (7)0.0046 (6)0.0055 (6)
O110.0419 (8)0.0267 (7)0.0278 (7)0.0097 (6)0.0063 (6)0.0037 (6)
O120.0448 (9)0.0412 (8)0.0288 (7)0.0091 (6)0.0142 (6)0.0031 (6)
O130.0493 (9)0.0200 (7)0.0297 (7)0.0017 (6)0.0141 (6)0.0022 (5)
C110.0262 (10)0.0276 (10)0.0274 (10)0.0003 (8)0.0014 (8)0.0002 (8)
C120.0392 (11)0.0227 (10)0.0304 (10)0.0018 (8)0.0103 (8)0.0017 (8)
O210.0277 (7)0.0172 (7)0.0510 (8)0.0001 (5)0.0049 (6)0.0005 (6)
O220.0311 (7)0.0179 (6)0.0322 (7)0.0030 (5)0.0035 (5)0.0007 (5)
O230.0339 (8)0.0159 (7)0.0536 (9)0.0010 (6)0.0020 (6)0.0039 (6)
C210.0304 (10)0.0208 (9)0.0169 (8)0.0002 (7)0.0048 (7)0.0005 (6)
C220.0302 (10)0.0202 (9)0.0232 (9)0.0003 (7)0.0004 (7)0.0015 (7)
Geometric parameters (Å, º) top
Co—O12.0439 (15)O13—C121.426 (2)
Co—O212.0696 (12)O13—H130.840 (17)
Co—O132.0870 (13)C11—C121.512 (2)
Co—O22.0891 (14)C12—H12A0.9700
Co—O112.1050 (12)C12—H12B0.9700
Co—O232.1213 (14)O21—C211.254 (2)
O1—H110.86 (3)O22—C211.253 (2)
O1—H120.81 (2)O23—C221.418 (2)
O2—H210.86 (2)O23—H230.88 (2)
O2—H220.822 (16)C21—C221.513 (2)
O11—C111.260 (2)C22—H22A0.9700
O12—C111.248 (2)C22—H22B0.9700
O1—Co—O2193.32 (6)Co—O13—H13115.9 (19)
O1—Co—O1399.04 (6)O12—C11—O11124.72 (17)
O21—Co—O13164.37 (5)O12—C11—C12116.93 (16)
O1—Co—O289.40 (6)O11—C11—C12118.35 (15)
O21—Co—O294.53 (5)O13—C12—C11110.73 (14)
O13—Co—O295.14 (5)O13—C12—H12A109.5
O1—Co—O1189.04 (6)C11—C12—H12A109.5
O21—Co—O1193.16 (5)O13—C12—H12B109.5
O13—Co—O1177.60 (5)C11—C12—H12B109.5
O2—Co—O11172.23 (5)H12A—C12—H12B108.1
O1—Co—O23168.92 (6)C21—O21—Co119.26 (11)
O21—Co—O2376.45 (5)C22—O23—Co116.25 (11)
O13—Co—O2391.78 (6)C22—O23—H23110.4 (15)
O2—Co—O2387.21 (6)Co—O23—H23133.3 (15)
O11—Co—O2395.68 (5)O22—C21—O21124.41 (16)
Co—O1—H11120.4 (16)O22—C21—C22116.98 (15)
Co—O1—H12117.8 (18)O21—C21—C22118.61 (15)
H11—O1—H12112 (2)O23—C22—C21109.31 (14)
Co—O2—H21116.9 (14)O23—C22—H22A109.8
Co—O2—H22123.6 (18)C21—C22—H22A109.8
H21—O2—H22104 (2)O23—C22—H22B109.8
C11—O11—Co116.99 (11)C21—C22—H22B109.8
C12—O13—Co115.65 (11)H22A—C22—H22B108.3
C12—O13—H13111.1 (18)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1—H11···O12i0.86 (3)1.84 (3)2.686 (2)167 (2)
O1—H12···O12ii0.81 (2)1.92 (3)2.716 (2)166 (2)
O23—H23···O22iii0.88 (2)1.77 (2)2.6517 (18)175 (2)
O13—H13···O21iii0.84 (2)1.96 (2)2.7547 (19)156 (3)
O2—H21···O22iv0.86 (2)1.86 (2)2.7180 (19)174 (2)
O2—H22···O11ii0.82 (2)1.99 (2)2.8016 (18)169 (2)
Symmetry codes: (i) x+1, y, z; (ii) x, y+1/2, z+1/2; (iii) x, y1, z; (iv) x, y1/2, z+1/2.
 

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