Potassium (2,2'-bipyridine-κN,N')bis-(carbonato-κO,O')cobaltate(III) dihydrate.

In the title compound, K[Co(CO(3))(2)(C(10)H(8)N(2))]·2H(2)O, the Co(III) atom is coordinated by two bipyridine N atoms and four O atoms from two bidentate chelating carbonate anions, and thus adopts a distorted octa-hedral N(2)O(4) environment. The [Co(bipy)(CO(3))(2)](-) (bipy is 2,2'-bipyridine) -units are stacked along [100] via π-π stacking inter-actions, with inter-planar distances between the bipyridine rings of 3.36 (4) and 3.44 (6) Å, forming chains. Classical O-H⋯O hydrogen-bonding inter-actions link the chains, forming channels along (100) in which the K(+) ions reside and leading to a three-dimensional supra-molecular architecture.

Related literature

For general background to Co(III) complexes, see: Baca et al. (2005 ▶); Niederhoffer et al. (1982 ▶); Ma et al. (2008 ▶). For a related structure, see: Lv et al. (2007 ▶).

Experimental

Crystal data

K[Co(CO3)2(C10H8N2)]·2H2O

M = 410.27

Monoclinic,

a = 7.4138 (15) Å

b = 14.064 (3) Å

c = 15.392 (4) Å

β = 113.80 (3)°

V = 1468.4 (7) Å3

Z = 4

Mo Kα radiation

μ = 1.50 mm−1

T = 295 K

0.58 × 0.18 × 0.17 mm

Data collection

Rigaku R-AXIS RAPID diffractometer

Absorption correction: multi-scan (ABSCOR; Higashi, 1995 ▶) T min = 0.731, T max = 0.775

13677 measured reflections

3249 independent reflections

2792 reflections with I > 2σ(I)

R int = 0.023

Refinement

R[F 2 > 2σ(F 2)] = 0.030

wR(F 2) = 0.078

S = 1.04

3249 reflections

217 parameters

H-atom parameters constrained

Δρmax = 0.36 e Å−3

Δρmin = −0.39 e Å−3

Data collection: RAPID-AUTO (Rigaku, 1998 ▶); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2004 ▶); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL (Sheldrick, 2008 ▶); software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536810037463/rk2228sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810037463/rk2228Isup2.hkl

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

K[Co(CO3)2(C10H8N2)]·2H2O	F(000) = 832
Mr = 410.27	Dx = 1.856 Mg m−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 11721 reflections
a = 7.4138 (15) Å	θ = 3.0–27.5°
b = 14.064 (3) Å	µ = 1.50 mm−1
c = 15.392 (4) Å	T = 295 K
β = 113.80 (3)°	Chip, black
V = 1468.4 (7) Å3	0.58 × 0.18 × 0.17 mm
Z = 4

Rigaku R-AXIS RAPID diffractometer	3249 independent reflections
Radiation source: fine-focus sealed tube	2792 reflections with I > 2σ(I)
graphite	Rint = 0.023
Detector resolution: 0 pixels mm-1	θmax = 27.5°, θmin = 3.0°
ω–scan	h = −8→9
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	k = −18→18
Tmin = 0.731, Tmax = 0.775	l = −19→19
13677 measured reflections

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)] = 0.030	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.078	H-atom parameters constrained
S = 1.03	w = 1/[σ2(Fo2) + (0.0412P)2 + 0.8088P] where P = (Fo2 + 2Fc2)/3
3249 reflections	(Δ/σ)max = 0.001
217 parameters	Δρmax = 0.36 e Å−3
0 restraints	Δρmin = −0.39 e Å−3

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

	x	y	z	Uiso*/Ueq
Co	−0.15263 (4)	−0.183676 (18)	−0.376007 (18)	0.02336 (9)
K	0.17639 (8)	−0.06463 (4)	−0.05791 (4)	0.04510 (15)
O1	−0.3391 (2)	−0.15333 (10)	−0.32390 (10)	0.0307 (3)
O2	−0.0295 (2)	−0.17746 (10)	−0.24051 (10)	0.0297 (3)
O3	−0.2175 (3)	−0.13028 (13)	−0.16521 (12)	0.0458 (4)
O4	0.0521 (2)	−0.24608 (10)	−0.40039 (11)	0.0301 (3)
O5	−0.1835 (2)	−0.31752 (10)	−0.37814 (10)	0.0300 (3)
O6	0.0328 (2)	−0.40547 (11)	−0.41275 (12)	0.0412 (4)
O7	0.4913 (3)	−0.02509 (15)	−0.12247 (15)	0.0601 (5)
H7A	0.5011	0.0352	−0.1276	0.090*
H7B	0.5648	−0.0574	−0.1420	0.090*
O8	0.4066 (3)	−0.17732 (14)	0.09211 (15)	0.0536 (5)
H8A	0.3177	−0.2011	0.1073	0.080*
H8B	0.5008	−0.2166	0.1180	0.080*
N1	−0.3278 (2)	−0.16972 (11)	−0.50825 (12)	0.0262 (3)
N2	−0.0978 (2)	−0.05200 (11)	−0.38840 (12)	0.0256 (3)
C1	−0.4355 (3)	−0.23832 (15)	−0.56647 (16)	0.0333 (5)
H1	−0.4197	−0.3008	−0.5448	0.040*
C2	−0.5694 (3)	−0.21909 (18)	−0.65784 (17)	0.0405 (5)
H2	−0.6425	−0.2679	−0.6970	0.049*
C3	−0.5931 (3)	−0.12702 (18)	−0.68993 (16)	0.0391 (5)
H3	−0.6847	−0.1126	−0.7507	0.047*
C4	−0.4802 (3)	−0.05601 (16)	−0.63147 (15)	0.0338 (5)
H4	−0.4929	0.0066	−0.6526	0.041*
C5	−0.3477 (3)	−0.07938 (14)	−0.54072 (14)	0.0257 (4)
C6	−0.2142 (3)	−0.01164 (14)	−0.47241 (14)	0.0253 (4)
C7	−0.1996 (3)	0.08361 (15)	−0.48953 (16)	0.0333 (5)
H7	−0.2809	0.1103	−0.5474	0.040*
C8	−0.0630 (4)	0.13897 (15)	−0.41985 (17)	0.0375 (5)
H8	−0.0521	0.2035	−0.4299	0.045*
C9	0.0568 (3)	0.09727 (16)	−0.33514 (16)	0.0361 (5)
H9	0.1503	0.1332	−0.2874	0.043*
C10	0.0361 (3)	0.00167 (15)	−0.32208 (15)	0.0324 (5)
H10	0.1184	−0.0264	−0.2651	0.039*
C11	−0.1975 (3)	−0.15262 (14)	−0.23757 (15)	0.0295 (4)
C12	−0.0283 (3)	−0.32881 (14)	−0.39785 (14)	0.0283 (4)

	U11	U22	U33	U12	U13	U23
Co	0.02390 (15)	0.02063 (14)	0.02346 (14)	0.00084 (9)	0.00739 (11)	0.00296 (10)
K	0.0431 (3)	0.0460 (3)	0.0428 (3)	0.0059 (2)	0.0137 (2)	0.0018 (2)
O1	0.0291 (8)	0.0311 (7)	0.0311 (7)	0.0021 (6)	0.0113 (7)	0.0006 (6)
O2	0.0290 (8)	0.0323 (8)	0.0245 (7)	0.0021 (5)	0.0073 (6)	0.0051 (6)
O3	0.0531 (10)	0.0532 (11)	0.0372 (9)	−0.0079 (8)	0.0246 (8)	−0.0093 (8)
O4	0.0288 (7)	0.0273 (7)	0.0347 (8)	0.0002 (5)	0.0135 (7)	0.0026 (6)
O5	0.0303 (8)	0.0244 (7)	0.0346 (8)	−0.0014 (5)	0.0123 (7)	0.0045 (6)
O6	0.0435 (9)	0.0286 (8)	0.0488 (9)	0.0056 (7)	0.0157 (8)	−0.0044 (7)
O7	0.0633 (13)	0.0528 (12)	0.0708 (13)	0.0002 (9)	0.0338 (11)	0.0044 (10)
O8	0.0389 (10)	0.0588 (12)	0.0660 (13)	0.0165 (8)	0.0242 (10)	0.0103 (9)
N1	0.0266 (9)	0.0253 (8)	0.0257 (8)	0.0019 (6)	0.0094 (7)	−0.0001 (6)
N2	0.0277 (8)	0.0230 (8)	0.0261 (8)	−0.0002 (6)	0.0108 (7)	0.0011 (6)
C1	0.0328 (11)	0.0293 (11)	0.0337 (11)	−0.0019 (8)	0.0091 (10)	−0.0031 (8)
C2	0.0347 (12)	0.0458 (13)	0.0343 (11)	−0.0046 (10)	0.0068 (10)	−0.0098 (10)
C3	0.0293 (11)	0.0542 (15)	0.0262 (10)	0.0076 (10)	0.0034 (9)	0.0017 (10)
C4	0.0348 (12)	0.0380 (12)	0.0276 (10)	0.0095 (9)	0.0117 (9)	0.0075 (8)
C5	0.0254 (10)	0.0283 (10)	0.0237 (9)	0.0058 (7)	0.0103 (8)	0.0031 (7)
C6	0.0265 (10)	0.0258 (9)	0.0266 (9)	0.0039 (7)	0.0137 (8)	0.0021 (7)
C7	0.0415 (12)	0.0268 (10)	0.0343 (11)	0.0052 (8)	0.0183 (10)	0.0065 (8)
C8	0.0525 (14)	0.0224 (10)	0.0451 (13)	−0.0022 (9)	0.0275 (11)	0.0007 (9)
C9	0.0464 (13)	0.0306 (11)	0.0363 (11)	−0.0102 (9)	0.0218 (11)	−0.0086 (9)
C10	0.0369 (12)	0.0322 (11)	0.0273 (10)	−0.0041 (8)	0.0120 (9)	−0.0011 (8)
C11	0.0342 (11)	0.0238 (9)	0.0309 (10)	−0.0042 (8)	0.0135 (9)	0.0009 (8)
C12	0.0279 (10)	0.0265 (10)	0.0253 (10)	0.0024 (7)	0.0055 (9)	0.0020 (7)

Co—O5	1.8950 (14)	N2—C10	1.334 (3)
Co—O1	1.9058 (15)	N2—C6	1.356 (3)
Co—O2	1.9115 (16)	C1—C2	1.382 (3)
Co—O4	1.9170 (15)	C1—H1	0.9300
Co—N2	1.9219 (17)	C2—C3	1.372 (4)
Co—N1	1.9325 (19)	C2—H2	0.9300
Co—C12	2.319 (2)	C3—C4	1.378 (3)
Co—C11	2.327 (2)	C3—H3	0.9300
O1—C11	1.320 (3)	C4—C5	1.385 (3)
O2—C11	1.312 (3)	C4—H4	0.9300
O3—C11	1.222 (3)	C5—C6	1.467 (3)
O4—C12	1.315 (2)	C6—C7	1.378 (3)
O5—C12	1.312 (3)	C7—C8	1.380 (3)
O6—C12	1.226 (3)	C7—H7	0.9300
O7—H7A	0.8570	C8—C9	1.378 (3)
O7—H7B	0.8517	C8—H8	0.9300
O8—H8A	0.8513	C9—C10	1.377 (3)
O8—H8B	0.8529	C9—H9	0.9300
N1—C1	1.339 (3)	C10—H10	0.9300
N1—C5	1.351 (3)
O5—Co—O1	97.29 (6)	N1—C1—H1	119.0
O5—Co—O2	93.75 (6)	C2—C1—H1	119.0
O1—Co—O2	68.83 (7)	C3—C2—C1	119.1 (2)
O5—Co—O4	68.98 (6)	C3—C2—H2	120.5
O1—Co—O4	162.02 (6)	C1—C2—H2	120.5
O2—Co—O4	99.62 (7)	C2—C3—C4	119.6 (2)
O5—Co—N2	169.86 (7)	C2—C3—H3	120.2
O1—Co—N2	92.53 (7)	C4—C3—H3	120.2
O2—Co—N2	92.13 (7)	C3—C4—C5	118.9 (2)
O4—Co—N2	101.89 (7)	C3—C4—H4	120.5
O5—Co—N1	93.30 (6)	C5—C4—H4	120.5
O1—Co—N1	97.31 (7)	N1—C5—C4	121.56 (19)
O2—Co—N1	165.15 (7)	N1—C5—C6	113.83 (17)
O4—Co—N1	95.10 (7)	C4—C5—C6	124.59 (19)
N2—Co—N1	82.92 (7)	N2—C6—C7	121.37 (19)
O5—Co—C12	34.46 (7)	N2—C6—C5	113.41 (17)
O1—Co—C12	131.03 (7)	C7—C6—C5	125.21 (18)
O2—Co—C12	98.95 (7)	C6—C7—C8	119.3 (2)
O4—Co—C12	34.54 (7)	C6—C7—H7	120.3
N2—Co—C12	136.17 (8)	C8—C7—H7	120.3
N1—Co—C12	94.25 (7)	C9—C8—C7	119.1 (2)
O5—Co—C11	98.13 (7)	C9—C8—H8	120.5
O1—Co—C11	34.56 (7)	C7—C8—H8	120.5
O2—Co—C11	34.32 (7)	C10—C9—C8	119.1 (2)
O4—Co—C11	133.02 (7)	C10—C9—H9	120.4
N2—Co—C11	91.38 (7)	C8—C9—H9	120.4
N1—Co—C11	131.44 (8)	N2—C10—C9	122.2 (2)
C12—Co—C11	120.66 (7)	N2—C10—H10	118.9
C11—O1—Co	90.44 (12)	C9—C10—H10	118.9
C11—O2—Co	90.44 (12)	O3—C11—O2	124.5 (2)
C12—O4—Co	89.72 (12)	O3—C11—O1	125.4 (2)
C12—O5—Co	90.76 (11)	O2—C11—O1	110.12 (18)
H7A—O7—H7B	113.9	O3—C11—Co	175.80 (17)
H8A—O8—H8B	101.3	O2—C11—Co	55.24 (10)
C1—N1—C5	118.89 (18)	O1—C11—Co	54.99 (10)
C1—N1—Co	126.68 (14)	O6—C12—O5	125.04 (19)
C5—N1—Co	114.31 (13)	O6—C12—O4	124.5 (2)
C10—N2—C6	118.92 (18)	O5—C12—O4	110.48 (17)
C10—N2—Co	126.24 (14)	O6—C12—Co	177.71 (17)
C6—N2—Co	114.80 (13)	O5—C12—Co	54.78 (9)
N1—C1—C2	122.0 (2)	O4—C12—Co	55.74 (10)

D—H···A	D—H	H···A	D···A	D—H···A
O7—H7A···O8i	0.86	2.11	2.934 (3)	161
O7—H7B···O3ii	0.85	2.06	2.903 (3)	170
O8—H8A···O4iii	0.85	2.06	2.885 (3)	162
O8—H8B···O1iv	0.85	2.17	2.988 (3)	162

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O7—H7A⋯O8i	0.86	2.11	2.934 (3)	161
O7—H7B⋯O3ii	0.85	2.06	2.903 (3)	170
O8—H8A⋯O4iii	0.85	2.06	2.885 (3)	162
O8—H8B⋯O1iv	0.85	2.17	2.988 (3)	162

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