Polymeric potassium triformatocobalt(II).

In the crystal structure of the title compound, poly[tri-μ-formato-cobalt(II)potassium], [CoK(CHO(2))(3)](n) the Co(2+) cations are coordinated by six O-bonded formate anions in an octa-hedral coordination mode and the K(+) cations are eightfold coordinated by seven O-bonded formate anions within irregular polyhedra. The Co(2+) cations are connected by bridging formate anions into a three-dimensional coordination network in which the K(+) cations are embedded. The asymmetric unit consits of one Co(2+) cation located on a center of inversion, one K(+) cation located on a twofold axis and two crystallographically independent formato anions, of which one is located on a twofold axis and the other occupies a general position.

Related literature

For background to this work see: Boeckmann et al. (2010) ▶; Wriedt & Näther (2010 ▶); Wriedt et al. (2009) ▶. For structures of bimetallic compounds based on potassium formate, see: Antsyshkina et al. (1983 ▶); Leontiev et al. (1988 ▶). For a description of the Cambridge Structural Database, see: Allen (2002 ▶).

Experimental

Crystal data

[CoK(CHO2)3]

M = 233.08

Monoclinic,

a = 10.7244 (8) Å

b = 8.9653 (6) Å

c = 6.8742 (5) Å

β = 95.539 (6)°

V = 657.85 (8) Å3

Z = 4

Mo Kα radiation

μ = 3.22 mm−1

T = 293 K

0.16 × 0.09 × 0.06 mm

Data collection

Stoe IPDS-2 diffractometer

Absorption correction: numerical (X-SHAPE and X-RED32; Stoe & Cie, 2008) ▶ T min = 0.711, T max = 0.817

6120 measured reflections

892 independent reflections

853 reflections with I > 2σ(I)

R int = 0.031

Refinement

R[F 2 > 2σ(F 2)] = 0.020

wR(F 2) = 0.046

S = 1.15

892 reflections

54 parameters

H-atom parameters constrained

Δρmax = 0.25 e Å−3

Δρmin = −0.57 e Å−3

Data collection: X-AREA (Stoe & Cie, 2008) ▶; cell refinement: X-AREA ▶; data reduction: X-AREA ▶; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: XP in SHELXTL (Sheldrick, 2008 ▶) and DIAMOND (Brandenburg, 1999 ▶); software used to prepare material for publication: XCIF in SHELXTL.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536811008737/kj2172sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536811008737/kj2172Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

[CoK(CHO2)3]	F(000) = 460
Mr = 233.08	Dx = 2.353 Mg m−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2yc	Cell parameters from 6120 reflections
a = 10.7244 (8) Å	θ = 3.0–29.2°
b = 8.9653 (6) Å	µ = 3.22 mm−1
c = 6.8742 (5) Å	T = 293 K
β = 95.539 (6)°	Block, light blue
V = 657.85 (8) Å3	0.16 × 0.09 × 0.06 mm
Z = 4

Stoe IPDS-2 diffractometer	892 independent reflections
Radiation source: fine-focus sealed tube	853 reflections with I > 2σ(I)
graphite	Rint = 0.031
ω scans	θmax = 29.2°, θmin = 3.0°
Absorption correction: numerical (X-SHAPE and X-RED32; Stoe & Cie, 2008)	h = −14→14
Tmin = 0.711, Tmax = 0.817	k = −12→12
6120 measured reflections	l = −9→9

Refinement on F2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.020	H-atom parameters constrained
wR(F2) = 0.046	w = 1/[σ2(Fo2) + (0.0276P)2 + 0.1263P] where P = (Fo2 + 2Fc2)/3
S = 1.15	(Δ/σ)max < 0.001
892 reflections	Δρmax = 0.25 e Å−3
54 parameters	Δρmin = −0.57 e Å−3
0 restraints	Extinction correction: SHELXL97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.0126 (12)

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds 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 > 2sigma(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.

	x	y	z	Uiso*/Ueq
K1	0.0000	0.10357 (5)	0.2500	0.02582 (12)
Co1	0.2500	0.2500	0.0000	0.01561 (10)
O1	0.16793 (10)	0.33291 (11)	0.24238 (15)	0.0274 (2)
O2	0.25445 (9)	0.54804 (11)	0.34563 (15)	0.0271 (2)
C1	0.18397 (13)	0.44031 (15)	0.3568 (2)	0.0244 (3)
H1	0.1371	0.4392	0.4638	0.029*
O11	0.43048 (9)	0.31029 (12)	0.12114 (14)	0.0260 (2)
C11	0.5000	0.2478 (2)	0.2500	0.0271 (4)
H11	0.5000	0.1441	0.2500	0.033*

	U11	U22	U33	U12	U13	U23
K1	0.0278 (2)	0.01932 (19)	0.0318 (2)	0.000	0.01004 (16)	0.000
Co1	0.01611 (14)	0.01374 (14)	0.01648 (14)	−0.00041 (8)	−0.00102 (8)	0.00122 (8)
O1	0.0332 (5)	0.0223 (5)	0.0277 (5)	−0.0087 (4)	0.0091 (4)	−0.0093 (4)
O2	0.0300 (5)	0.0204 (4)	0.0318 (5)	−0.0063 (4)	0.0076 (4)	−0.0089 (4)
C1	0.0312 (6)	0.0213 (6)	0.0215 (6)	−0.0042 (5)	0.0069 (5)	−0.0037 (5)
O11	0.0215 (4)	0.0303 (5)	0.0245 (5)	−0.0036 (4)	−0.0063 (4)	0.0033 (4)
C11	0.0270 (9)	0.0217 (9)	0.0310 (10)	0.000	−0.0057 (8)	0.000

K1—O1	2.7371 (10)	Co1—O11iv	2.1026 (9)
K1—O2i	2.8193 (10)	O1—C1	1.2448 (17)
K1—O11ii	2.8335 (10)	O2—C1	1.2335 (17)
K1—O11i	2.8507 (11)	C1—H1	0.9300
K1—C11i	3.189 (2)	O11—C11	1.2356 (13)
Co1—O1	2.0943 (10)	C11—H11	0.9300
Co1—O2iii	2.1015 (10)
O1—K1—O1v	82.62 (5)	O1—Co1—O11iv	87.99 (4)
O1—K1—O2i	140.19 (3)	O1iv—Co1—O11iv	92.01 (4)
O1v—K1—O2i	59.81 (3)	O2iii—Co1—O11iv	94.96 (4)
O2i—K1—O2vi	159.66 (4)	O2vi—Co1—O11iv	85.04 (4)
O1—K1—O11ii	92.48 (3)	O11iv—Co1—O11	180.00 (6)
O1v—K1—O11ii	63.08 (3)	C1—O1—Co1	137.25 (9)
O2i—K1—O11ii	60.35 (3)	C1—O1—K1	128.31 (9)
O2vi—K1—O11ii	126.22 (3)	Co1—O1—K1	94.38 (3)
O11ii—K1—O11iv	148.37 (5)	C1—O2—Co1vii	126.81 (9)
O1—K1—O11i	147.11 (3)	C1—O2—K1viii	138.13 (9)
O1v—K1—O11i	123.09 (3)	Co1vii—O2—K1viii	91.88 (3)
O2i—K1—O11i	71.79 (3)	O2—C1—O1	127.90 (13)
O2vi—K1—O11i	89.25 (3)	O2—C1—H1	116.0
O11ii—K1—O11i	116.58 (3)	O1—C1—H1	116.0
O11iv—K1—O11i	93.17 (3)	C11—O11—Co1	129.50 (9)
O11i—K1—O11vi	45.45 (4)	C11—O11—K1iv	125.17 (6)
O1—K1—C11i	138.69 (2)	Co1—O11—K1iv	91.47 (3)
O2i—K1—C11i	79.83 (2)	C11—O11—K1viii	94.23 (9)
O11ii—K1—C11i	105.81 (2)	Co1—O11—K1viii	124.29 (4)
O11i—K1—C11i	22.727 (19)	K1iv—O11—K1viii	86.83 (3)
O1—Co1—O1iv	180.0	O11ix—C11—O11	126.09 (18)
O1—Co1—O2iii	97.34 (4)	O11ix—C11—K1viii	63.04 (9)
O1iv—Co1—O2iii	82.66 (4)	O11—C11—H11	117.0
O2iii—Co1—O2vi	180.00 (3)	K1viii—C11—H11	180.0

Table 1

Selected bond lengths (Å)

K1—O1	2.7371 (10)
K1—O2i	2.8193 (10)
K1—O11i	2.8507 (11)
Co1—O1	2.0943 (10)
Co1—O2ii	2.1015 (10)
Co1—O11iii	2.1026 (9)

Symmetry codes: (i) ; (ii) ; (iii) .