Polymeric bis­(glycolato)­cobalt(II)

In the title compound, poly­[cobalt(II)-bis(μ-hydroxy­acetato-O¹,O²:O^1′)], [Co(C₂H₃O₃)₂]_n, units of [Co(C₂H₃O₃)₂] constitute a bidimensional sheet coordination polymer in which each Co^II 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.

Computing details

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)

Crystal data

[Co(C2H3O3)2]	F(000) = 210
Mr = 209.02	Dx = 2.035 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
a = 5.1886 (6) Å	Cell parameters from 48 reflections
b = 7.8583 (10) Å	θ = 4.8–12.4°
c = 8.6621 (10) Å	µ = 2.49 mm^−1
β = 104.977 (8)°	T = 293 K
V = 341.19 (7) Å^3	Prism, purple
Z = 2	0.3 × 0.2 × 0.2 mm

Data collection

Siemens P4 diffractometer	886 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.018
Graphite monochromator	θmax = 30.0°, θmin = 3.6°
2θ/ω scans	h = −7→7
Absorption correction: gaussian 6 faces indexed using XSCANS (Siemens, 1991)	k = −11→11
Tmin = 0.760, Tmax = 0.811	l = −12→12
2180 measured reflections	3 standard reflections every 97 reflections
999 independent reflections	intensity decay: 1.3%

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.020	Hydrogen site location: difference Fourier map
wR(F^2) = 0.053	H-atom parameters constrained
S = 1.10	w = 1/[σ^2(Fo^2) + (0.0203P)^2 + 0.116P] where P = (Fo^2 + 2Fc^2)/3
999 reflections	(Δ/σ)max < 0.001
52 parameters	Δρmax = 0.34 e Å^−3
0 restraints	Δρmin = −0.24 e Å^−3

Special details

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 (Ų)

	x	y	z	Uiso*/Ueq
Co1	0	0	1/2	0.01439 (8)
C1	−0.3571 (3)	0.2887 (2)	0.3690 (2)	0.0314 (4)
H1B	−0.5406	0.2559	0.3033	0.038*
H1A	−0.3427	0.4154	0.3971	0.038*
C2	−0.1622 (3)	0.26040 (17)	0.26752 (15)	0.0173 (2)
O1	−0.2852 (2)	0.18569 (14)	0.50747 (12)	0.0219 (2)
H1	−0.4226	0.1764	0.5463	0.033*
O2	0.0160 (2)	0.15001 (13)	0.30860 (12)	0.0208 (2)
O3	−0.1885 (2)	0.35097 (15)	0.14322 (12)	0.0237 (2)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Co1	0.01478 (12)	0.01629 (13)	0.01273 (12)	−0.00007 (9)	0.00470 (8)	0.00094 (9)
C1	0.0302 (7)	0.0417 (9)	0.0291 (8)	0.0183 (7)	0.0200 (6)	0.0192 (7)
C2	0.0158 (5)	0.0215 (6)	0.0156 (5)	−0.0003 (5)	0.0059 (4)	0.0007 (5)
O1	0.0210 (5)	0.0286 (5)	0.0200 (4)	0.0066 (4)	0.0124 (4)	0.0077 (4)
O2	0.0215 (5)	0.0233 (5)	0.0209 (4)	0.0058 (4)	0.0112 (4)	0.0066 (4)
O3	0.0211 (5)	0.0323 (6)	0.0204 (4)	0.0079 (4)	0.0102 (4)	0.0108 (4)

Geometric parameters (Å, º)

Co1—O2	2.0534 (10)	C1—O1	1.4148 (17)
Co1—O2^i	2.0534 (10)	C1—C2	1.5175 (19)
Co1—O1	2.0910 (10)	C2—O2	1.2508 (17)
Co1—O1^i	2.0910 (10)	C2—O3	1.2683 (16)
Co1—O3^ii	2.1180 (10)	O3—Co1^iv	2.1180 (10)
Co1—O3^iii	2.1180 (10)
O2—Co1—O2^i	180.0	O2^i—Co1—O3^iii	91.63 (4)
O2—Co1—O1	78.52 (4)	O1—Co1—O3^iii	92.00 (4)
O2^i—Co1—O1	101.48 (4)	O1^i—Co1—O3^iii	88.00 (4)
O2—Co1—O1^i	101.48 (4)	O3^ii—Co1—O3^iii	180.00 (5)
O2^i—Co1—O1^i	78.52 (4)	O1—C1—C2	109.77 (12)
O1—Co1—O1^i	180.00 (5)	O2—C2—O3	122.69 (13)
O2—Co1—O3^ii	91.63 (4)	O2—C2—C1	119.41 (12)
O2^i—Co1—O3^ii	88.37 (4)	O3—C2—C1	117.90 (12)
O1—Co1—O3^ii	88.00 (4)	C1—O1—Co1	113.99 (9)
O1^i—Co1—O3^ii	92.00 (4)	C2—O2—Co1	116.52 (8)
O2—Co1—O3^iii	88.37 (4)	C2—O3—Co1^iv	134.91 (9)
O1—C1—C2—O2	4.3 (2)	C1—C2—O2—Co1	6.19 (18)
O1—C1—C2—O3	−175.80 (13)	O2^i—Co1—O2—C2	−41 (100)
C2—C1—O1—Co1	−12.27 (18)	O1—Co1—O2—C2	−10.03 (10)
O2—Co1—O1—C1	12.19 (11)	O1^i—Co1—O2—C2	169.97 (10)
O2^i—Co1—O1—C1	−167.81 (11)	O3^ii—Co1—O2—C2	77.59 (10)
O1^i—Co1—O1—C1	66 (19)	O3^iii—Co1—O2—C2	−102.41 (10)
O3^ii—Co1—O1—C1	−79.88 (12)	O2—C2—O3—Co1^iv	161.42 (11)
O3^iii—Co1—O1—C1	100.12 (12)	C1—C2—O3—Co1^iv	−18.5 (2)
O3—C2—O2—Co1	−173.71 (11)

Symmetry codes: (i) −x, −y, −z+1; (ii) −x−1/2, y−1/2, −z+1/2; (iii) x+1/2, −y+1/2, z+1/2; (iv) −x−1/2, y+1/2, −z+1/2.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1···O3^v	0.87	1.80	2.668	175

Symmetry code: (v) x−1/2, −y+1/2, z+1/2.