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The title compound, [Co(C5H7O2)2], contains isolated mol­ecules. The Co atom is located on a centre of symmetry with the bidentate ligands adopting a square-planar geometry about the Co atom.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270100003176/gd1084sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108270100003176/gd1084Isup2.hkl
Contains datablock I

CCDC reference: 146037

Computing details top

Data collection: XSCANS (Fait, 1991); cell refinement: XSCANS; data reduction: XSCANS; program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXL97; software used to prepare material for publication: SHELXL97.

Bis-(2,4-pentanedionato)cobalt(II) top
Crystal data top
[Co(C5H7O2)2]F(000) = 266
Mr = 257.14Dx = 1.574 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
a = 10.276 (2) ÅCell parameters from 36 reflections
b = 4.677 (1) Åθ = 5.7–12.4°
c = 11.296 (2) ŵ = 1.57 mm1
β = 92.22 (2)°T = 190 K
V = 542.49 (18) Å3Plate, green
Z = 20.52 × 0.26 × 0.08 mm
Data collection top
Bruker P4
diffractometer
787 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.027
Graphite monochromatorθmax = 25.0°, θmin = 2.6°
ω scanh = 112
Absorption correction: psi scan
548 psi scan data (XEMP; SHELXL-97), merging R 0.123 before correction and 0.044 after correction
k = 15
Tmin = 0.55, Tmax = 0.91l = 1313
1410 measured reflections3 standard reflections every 100 reflections
956 independent reflections intensity decay: <1%
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)] = 0.052Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.140H-atom parameters constrained
S = 1.10 w = 1/[σ2(Fo2) + (0.0983P)2 + 0.1697P]
where P = (Fo2 + 2Fc2)/3
956 reflections(Δ/σ)max = 0.005
72 parametersΔρmax = 0.98 e Å3
0 restraintsΔρmin = 1.11 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
Co10.00000.00000.00000.0220 (3)
O10.0653 (3)0.1985 (6)0.1343 (2)0.0326 (7)
O20.1620 (2)0.2035 (6)0.0066 (2)0.0324 (7)
C30.1896 (4)0.4165 (10)0.0727 (3)0.0296 (9)
C40.0106 (4)0.4108 (10)0.1859 (3)0.0304 (9)
C50.1085 (4)0.5257 (9)0.1590 (4)0.0328 (10)
H50.13110.71410.20280.039*
C60.3173 (4)0.5573 (11)0.0526 (4)0.0397 (11)
H6A0.37510.42240.01790.060*
H6B0.35480.62300.12680.060*
H6C0.30410.71690.00000.060*
C70.0859 (5)0.5440 (10)0.2832 (4)0.0411 (12)
H7A0.12100.72420.25670.062*
H7B0.02910.57370.35160.062*
H7C0.15580.41920.30350.062*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Co10.0137 (4)0.0270 (5)0.0253 (5)0.0031 (3)0.0013 (3)0.0043 (3)
O10.0246 (13)0.0372 (17)0.0364 (14)0.0032 (13)0.0041 (11)0.0021 (12)
O20.0230 (14)0.0366 (16)0.0376 (14)0.0002 (13)0.0015 (11)0.0059 (12)
C30.022 (2)0.035 (2)0.032 (2)0.0016 (18)0.0057 (16)0.0033 (18)
C40.029 (2)0.032 (2)0.0293 (19)0.0022 (19)0.0035 (17)0.0002 (17)
C50.027 (2)0.037 (3)0.034 (2)0.0050 (18)0.0012 (17)0.0064 (17)
C60.026 (2)0.053 (3)0.041 (2)0.008 (2)0.0002 (18)0.002 (2)
C70.035 (3)0.050 (3)0.038 (2)0.001 (2)0.006 (2)0.009 (2)
Geometric parameters (Å, º) top
Co1—O21.917 (3)O2—C31.271 (5)
Co1—O2i1.917 (3)C3—C51.403 (6)
Co1—O11.921 (3)C3—C61.493 (6)
Co1—O1i1.921 (3)C4—C51.381 (6)
O1—C41.272 (5)C4—C71.504 (6)
O2—Co1—O2i180.00 (7)O2—C3—C5124.6 (4)
O2—Co1—O193.38 (11)O2—C3—C6115.7 (4)
O2i—Co1—O186.62 (11)C5—C3—C6119.6 (4)
O2—Co1—O1i86.62 (11)O1—C4—C5125.7 (4)
O2i—Co1—O1i93.38 (11)O1—C4—C7115.3 (4)
O1—Co1—O1i180.00 (16)C5—C4—C7119.1 (4)
C4—O1—Co1125.2 (3)C4—C5—C3124.5 (4)
C3—O2—Co1125.9 (3)
Symmetry code: (i) x, y, z.
 

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