Download citation
Download citation
link to html
In the title compound, poly­[cobalt(II)-bis(μ-hydroxy­acetato-O1,O2:O1′)], [Co(C2H3O3)2]n, units of [Co(C2H3O3)2] constitute a bidimensional sheet coordination polymer in which each CoII atom lies on an inversion centre and is octahedrally coordinated to glycolate ligands in a trans configuration. Carbonyl O atoms from adjacent units complete the octahedral environment.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S010827010000161X/da1106sup1.cif
Contains datablocks Global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S010827010000161X/da1106Isup2.hkl
Contains datablock I

CCDC reference: 146031

Computing details top

Data collection: XSCANS (Siemens, 1991); cell refinement: XSCANS; data reduction: XSCANS; program(s) used to solve structure: SHELXTL (Sheldrick, 1995); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL; software used to prepare material for publication: SHELXL97.

Polymeric bis(glycolato)cobalt(II) top
Crystal data top
[Co(C2H3O3)2]F(000) = 210
Mr = 209.02Dx = 2.035 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
a = 5.1886 (6) ÅCell parameters from 48 reflections
b = 7.8583 (10) Åθ = 4.8–12.4°
c = 8.6621 (10) ŵ = 2.49 mm1
β = 104.977 (8)°T = 293 K
V = 341.19 (7) Å3Prism, purple
Z = 20.3 × 0.2 × 0.2 mm
Data collection top
Siemens P4
diffractometer
886 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.018
Graphite monochromatorθmax = 30.0°, θmin = 3.6°
2θ/ω scansh = 77
Absorption correction: gaussian
6 faces indexed using XSCANS (Siemens, 1991)
k = 1111
Tmin = 0.760, Tmax = 0.811l = 1212
2180 measured reflections3 standard reflections every 97 reflections
999 independent reflections intensity decay: 1.3%
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)] = 0.020Hydrogen site location: difference Fourier map
wR(F2) = 0.053H-atom parameters constrained
S = 1.10 w = 1/[σ2(Fo2) + (0.0203P)2 + 0.116P]
where P = (Fo2 + 2Fc2)/3
999 reflections(Δ/σ)max < 0.001
52 parametersΔρmax = 0.34 e Å3
0 restraintsΔρmin = 0.24 e Å3
Special details top

Experimental. 4 octants measured. Friedel merged

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
Co1001/20.01439 (8)
C10.3571 (3)0.2887 (2)0.3690 (2)0.0314 (4)
H1B0.54060.25590.30330.038*
H1A0.34270.41540.39710.038*
C20.1622 (3)0.26040 (17)0.26752 (15)0.0173 (2)
O10.2852 (2)0.18569 (14)0.50747 (12)0.0219 (2)
H10.42260.17640.54630.033*
O20.0160 (2)0.15001 (13)0.30860 (12)0.0208 (2)
O30.1885 (2)0.35097 (15)0.14322 (12)0.0237 (2)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Co10.01478 (12)0.01629 (13)0.01273 (12)0.00007 (9)0.00470 (8)0.00094 (9)
C10.0302 (7)0.0417 (9)0.0291 (8)0.0183 (7)0.0200 (6)0.0192 (7)
C20.0158 (5)0.0215 (6)0.0156 (5)0.0003 (5)0.0059 (4)0.0007 (5)
O10.0210 (5)0.0286 (5)0.0200 (4)0.0066 (4)0.0124 (4)0.0077 (4)
O20.0215 (5)0.0233 (5)0.0209 (4)0.0058 (4)0.0112 (4)0.0066 (4)
O30.0211 (5)0.0323 (6)0.0204 (4)0.0079 (4)0.0102 (4)0.0108 (4)
Geometric parameters (Å, º) top
Co1—O22.0534 (10)C1—O11.4148 (17)
Co1—O2i2.0534 (10)C1—C21.5175 (19)
Co1—O12.0910 (10)C2—O21.2508 (17)
Co1—O1i2.0910 (10)C2—O31.2683 (16)
Co1—O3ii2.1180 (10)O3—Co1iv2.1180 (10)
Co1—O3iii2.1180 (10)
O2—Co1—O2i180.0O2i—Co1—O3iii91.63 (4)
O2—Co1—O178.52 (4)O1—Co1—O3iii92.00 (4)
O2i—Co1—O1101.48 (4)O1i—Co1—O3iii88.00 (4)
O2—Co1—O1i101.48 (4)O3ii—Co1—O3iii180.00 (5)
O2i—Co1—O1i78.52 (4)O1—C1—C2109.77 (12)
O1—Co1—O1i180.00 (5)O2—C2—O3122.69 (13)
O2—Co1—O3ii91.63 (4)O2—C2—C1119.41 (12)
O2i—Co1—O3ii88.37 (4)O3—C2—C1117.90 (12)
O1—Co1—O3ii88.00 (4)C1—O1—Co1113.99 (9)
O1i—Co1—O3ii92.00 (4)C2—O2—Co1116.52 (8)
O2—Co1—O3iii88.37 (4)C2—O3—Co1iv134.91 (9)
O1—C1—C2—O24.3 (2)C1—C2—O2—Co16.19 (18)
O1—C1—C2—O3175.80 (13)O2i—Co1—O2—C241 (100)
C2—C1—O1—Co112.27 (18)O1—Co1—O2—C210.03 (10)
O2—Co1—O1—C112.19 (11)O1i—Co1—O2—C2169.97 (10)
O2i—Co1—O1—C1167.81 (11)O3ii—Co1—O2—C277.59 (10)
O1i—Co1—O1—C166 (19)O3iii—Co1—O2—C2102.41 (10)
O3ii—Co1—O1—C179.88 (12)O2—C2—O3—Co1iv161.42 (11)
O3iii—Co1—O1—C1100.12 (12)C1—C2—O3—Co1iv18.5 (2)
O3—C2—O2—Co1173.71 (11)
Symmetry codes: (i) x, y, z+1; (ii) x1/2, y1/2, z+1/2; (iii) x+1/2, y+1/2, z+1/2; (iv) x1/2, y+1/2, z+1/2.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1—H1···O3v0.871.802.668175
Symmetry code: (v) x1/2, y+1/2, z+1/2.
 

Follow Acta Cryst. C
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds