Buy article online - an online subscription or single-article purchase is required to access this article.
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
CCDC reference: 146031
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 = 209.02 | 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) Å3 | Prism, purple |
Z = 2 | 0.3 × 0.2 × 0.2 mm |
Data collection top
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 top
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.020 | Hydrogen site location: difference Fourier map |
wR(F2) = 0.053 | H-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 parameters | Δρmax = 0.34 e Å−3 |
0 restraints | Δρmin = −0.24 e Å−3 |
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 | 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 (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
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) top
Co1—O2 | 2.0534 (10) | C1—O1 | 1.4148 (17) |
Co1—O2i | 2.0534 (10) | C1—C2 | 1.5175 (19) |
Co1—O1 | 2.0910 (10) | C2—O2 | 1.2508 (17) |
Co1—O1i | 2.0910 (10) | C2—O3 | 1.2683 (16) |
Co1—O3ii | 2.1180 (10) | O3—Co1iv | 2.1180 (10) |
Co1—O3iii | 2.1180 (10) | | |
| | | |
O2—Co1—O2i | 180.0 | O2i—Co1—O3iii | 91.63 (4) |
O2—Co1—O1 | 78.52 (4) | O1—Co1—O3iii | 92.00 (4) |
O2i—Co1—O1 | 101.48 (4) | O1i—Co1—O3iii | 88.00 (4) |
O2—Co1—O1i | 101.48 (4) | O3ii—Co1—O3iii | 180.00 (5) |
O2i—Co1—O1i | 78.52 (4) | O1—C1—C2 | 109.77 (12) |
O1—Co1—O1i | 180.00 (5) | O2—C2—O3 | 122.69 (13) |
O2—Co1—O3ii | 91.63 (4) | O2—C2—C1 | 119.41 (12) |
O2i—Co1—O3ii | 88.37 (4) | O3—C2—C1 | 117.90 (12) |
O1—Co1—O3ii | 88.00 (4) | C1—O1—Co1 | 113.99 (9) |
O1i—Co1—O3ii | 92.00 (4) | C2—O2—Co1 | 116.52 (8) |
O2—Co1—O3iii | 88.37 (4) | C2—O3—Co1iv | 134.91 (9) |
| | | |
O1—C1—C2—O2 | 4.3 (2) | C1—C2—O2—Co1 | 6.19 (18) |
O1—C1—C2—O3 | −175.80 (13) | O2i—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) | O1i—Co1—O2—C2 | 169.97 (10) |
O2i—Co1—O1—C1 | −167.81 (11) | O3ii—Co1—O2—C2 | 77.59 (10) |
O1i—Co1—O1—C1 | 66 (19) | O3iii—Co1—O2—C2 | −102.41 (10) |
O3ii—Co1—O1—C1 | −79.88 (12) | O2—C2—O3—Co1iv | 161.42 (11) |
O3iii—Co1—O1—C1 | 100.12 (12) | C1—C2—O3—Co1iv | −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) top
D—H···A | D—H | H···A | D···A | D—H···A |
O1—H1···O3v | 0.87 | 1.80 | 2.668 | 175 |
Symmetry code: (v) x−1/2, −y+1/2, z+1/2. |
Subscribe to Acta Crystallographica Section C: Structural Chemistry
The full text of this article is available to subscribers to the journal.
If you have already registered and are using a computer listed in your registration details, please email
support@iucr.org for assistance.