Dipotassium diaqua-bis(methyl-enedi-phospho-nato-κO,O')cobaltate(II).

In the title complex, K(2)[Co(CH(4)O(6)P(2))(2)(H(2)O)(2)], the asymmetric unit contains two K(+) cations and two half-anions in which the Co atoms lie on inversion centers. The Co(II) ions assume an octa-hedral CoO(6) coordination geometry. In the crystal, a three-dimensional network is formed through O-H⋯O hydrogen-bond inter-actions as well as inter-molecular inter-actions between the K(+) cations and neighbouring O atoms.

Related literature

For related structures, see: DeLaMatter et al. (1973 ▶); Jurisson et al. (1983 ▶); Barthelet et al. (2002 ▶); Stahl et al. (2006 ▶); Van der Merwe et al. (2009 ▶).

Experimental

Crystal data

K2[Co(CH4O6P2)2(H2O)2]

M = 521.13

Triclinic,

a = 6.4523 (3) Å

b = 8.7056 (3) Å

c = 13.1930 (5) Å

α = 91.334 (2)°

β = 93.304 (2)°

γ = 93.333 (2)°

V = 738.32 (5) Å3

Z = 2

Mo Kα radiation

μ = 2.23 mm−1

T = 100 K

0.28 × 0.17 × 0.17 mm

Data collection

Bruker X8 APEXII 4K Kappa CCD diffractometer

Absorption correction: multi-scan SADABS (Bruker, 2004 ▶) T min = 0.635, T max = 0.690

13474 measured reflections

3645 independent reflections

3194 reflections with I > 2σ(I)

R int = 0.036

Refinement

R[F 2 > 2σ(F 2)] = 0.040

wR(F 2) = 0.1096

S = 1.23

3645 reflections

235parameters

14 restraints

H atoms treated by a mixture of independent and constrained refinement

Δρmax = 1.04 e Å−3

Δρmin = −0.61 e Å−3

Data collection: APEX2 (Bruker, 2005 ▶); cell refinement: SAINT-Plus (Bruker, 2004 ▶); data reduction: SAINT-Plus and XPREP (Bruker, 2004 ▶); program(s) used to solve structure: SIR97 (Altomare et al., 1999 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: DIAMOND (Brandenburg & Putz, 2005 ▶); software used to prepare material for publication: WinGX (Farrugia, 1999 ▶).

Crystal structure: contains datablocks global, I. DOI: 10.1107/S160053680905106X/ds2013sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S160053680905106X/ds2013Isup2.hkl

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

K2[Co(CH4O6P2)2(H2O)2]	Z = 2
Mr = 521.13	F(000) = 522
Triclinic, P1	Dx = 2.344 Mg m−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 6.4523 (3) Å	Cell parameters from 5231 reflections
b = 8.7056 (3) Å	θ = 2.1–28.3°
c = 13.1930 (5) Å	µ = 2.23 mm−1
α = 91.334 (2)°	T = 100 K
β = 93.304 (2)°	Cuboid, pink
γ = 93.333 (2)°	0.28 × 0.17 × 0.17 mm
V = 738.32 (5) Å3

Bruker X8 APEXII 4K Kappa CCD diffractometer	3645 independent reflections
Radiation source: sealed tube	3194 reflections with I > 2σ(I)
graphite	Rint = 0.036
phi and ω scans	θmax = 28.4°, θmin = 3.1°
Absorption correction: multi-scan SADABS (Bruker, 2004)	h = −8→8
Tmin = 0.635, Tmax = 0.690	k = −11→9
13474 measured reflections	l = −16→17

Refinement on F2	14 restraints
Least-squares matrix: full	H atoms treated by a mixture of independent and constrained refinement
R[F2 > 2σ(F2)] = 0.040	w = 1/[σ2(Fo2) + (0.0164P)2 + 3.9058P] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.096	(Δ/σ)max < 0.001
S = 1.18	Δρmax = 0.95 e Å−3
3645 reflections	Δρmin = −0.55 e Å−3
235 parameters

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.

	x	y	z	Uiso*/Ueq
C2	0.6164 (6)	0.3660 (4)	0.4121 (3)	0.0083 (7)
H2A	0.6647	0.4636	0.3852	0.01*
H2B	0.4955	0.3844	0.4501	0.01*
O2	0.7149 (4)	0.6643 (3)	−0.06002 (19)	0.0084 (5)
O1	0.4857 (4)	0.6095 (3)	0.1386 (2)	0.0100 (5)
O4	0.3898 (4)	0.8338 (3)	0.2356 (2)	0.0093 (5)
O5	0.7656 (4)	0.7614 (3)	0.2543 (2)	0.0116 (5)
O6	1.0177 (4)	0.7998 (3)	0.0450 (2)	0.0088 (5)
O8	0.6907 (4)	−0.1647 (3)	0.4464 (2)	0.0137 (6)
O9	0.4598 (4)	0.0840 (3)	0.35124 (19)	0.0087 (5)
O10	0.7627 (4)	0.1422 (3)	0.5352 (2)	0.0109 (5)
O11	1.0208 (4)	0.3123 (3)	0.4451 (2)	0.0091 (5)
O12	0.8299 (4)	0.4173 (3)	0.59244 (19)	0.0097 (5)
O13	0.3411 (4)	0.3121 (3)	0.2569 (2)	0.0094 (5)
O14	0.7069 (4)	0.2216 (3)	0.2347 (2)	0.0105 (5)
P1	0.80660 (14)	0.81239 (10)	−0.00988 (7)	0.00684 (18)
P2	0.57617 (14)	0.76121 (11)	0.18262 (7)	0.00712 (18)
P3	0.53703 (14)	0.23561 (10)	0.30689 (7)	0.00681 (18)
P4	0.81776 (14)	0.30133 (11)	0.49860 (7)	0.00724 (18)
K1	0.08042 (13)	0.57684 (9)	0.19914 (6)	0.01125 (17)
K2	0.02621 (13)	0.04058 (10)	0.31295 (7)	0.01350 (18)
Co1	0.5	0.5	0	0.00676 (15)
Co2	0.5	0	0.5	0.00634 (15)
O7	0.8190 (4)	0.9319 (3)	−0.0975 (2)	0.0092 (5)
O3	0.2452 (4)	0.6119 (3)	−0.0684 (2)	0.0112 (5)
C1	0.6299 (6)	0.8839 (4)	0.0776 (3)	0.0079 (7)
H1A	0.4994	0.9006	0.0404	0.01*
H1B	0.6864	0.9831	0.1048	0.01*
H8B	0.778 (6)	−0.215 (5)	0.482 (3)	0.02*
H8A	0.699 (7)	−0.185 (5)	0.3838 (14)	0.02*
H7	0.877 (7)	1.020 (3)	−0.081 (4)	0.02*
H4	0.433 (8)	0.911 (4)	0.271 (3)	0.02*
H13	0.332 (8)	0.318 (6)	0.1935 (15)	0.02*
H3B	0.175 (7)	0.665 (5)	−0.029 (3)	0.02*
H3A	0.266 (8)	0.661 (5)	−0.122 (2)	0.02*
H12	0.872 (7)	0.5089 (18)	0.581 (2)	0.02*

	U11	U22	U33	U12	U13	U23
C2	0.0098 (17)	0.0062 (16)	0.0087 (16)	−0.0003 (13)	−0.0010 (13)	0.0003 (13)
O2	0.0098 (12)	0.0077 (12)	0.0073 (12)	−0.0033 (10)	0.0005 (10)	0.0002 (9)
O1	0.0146 (13)	0.0065 (12)	0.0089 (12)	−0.0016 (10)	0.0035 (10)	0.0000 (10)
O4	0.0087 (12)	0.0097 (13)	0.0092 (12)	0.0009 (10)	−0.0002 (10)	−0.0023 (10)
O5	0.0108 (13)	0.0146 (13)	0.0095 (13)	0.0031 (10)	−0.0004 (10)	−0.0010 (10)
O6	0.0082 (12)	0.0078 (12)	0.0102 (12)	−0.0004 (9)	−0.0006 (10)	−0.0002 (10)
O8	0.0150 (14)	0.0183 (14)	0.0087 (13)	0.0097 (11)	−0.0005 (11)	−0.0010 (11)
O9	0.0138 (13)	0.0062 (12)	0.0060 (12)	−0.0009 (10)	0.0005 (10)	0.0016 (9)
O10	0.0088 (12)	0.0092 (12)	0.0146 (13)	−0.0013 (10)	−0.0011 (10)	0.0065 (10)
O11	0.0084 (12)	0.0096 (12)	0.0092 (12)	−0.0005 (10)	0.0020 (10)	0.0003 (10)
O12	0.0139 (13)	0.0077 (12)	0.0072 (12)	−0.0016 (10)	0.0002 (10)	−0.0008 (10)
O13	0.0109 (13)	0.0116 (13)	0.0060 (12)	0.0023 (10)	−0.0004 (10)	0.0006 (10)
O14	0.0118 (13)	0.0127 (13)	0.0075 (12)	0.0023 (10)	0.0023 (10)	0.0021 (10)
P1	0.0077 (4)	0.0062 (4)	0.0067 (4)	0.0000 (3)	0.0006 (3)	0.0005 (3)
P2	0.0080 (4)	0.0076 (4)	0.0059 (4)	0.0014 (3)	0.0010 (3)	−0.0004 (3)
P3	0.0086 (4)	0.0063 (4)	0.0057 (4)	0.0013 (3)	0.0005 (3)	0.0006 (3)
P4	0.0083 (4)	0.0063 (4)	0.0069 (4)	−0.0006 (3)	−0.0010 (3)	0.0008 (3)
K1	0.0112 (4)	0.0122 (4)	0.0107 (4)	0.0026 (3)	0.0011 (3)	0.0015 (3)
K2	0.0109 (4)	0.0126 (4)	0.0167 (4)	0.0017 (3)	−0.0022 (3)	−0.0013 (3)
Co1	0.0083 (3)	0.0060 (3)	0.0061 (3)	0.0004 (2)	0.0010 (2)	−0.0001 (2)
Co2	0.0072 (3)	0.0061 (3)	0.0058 (3)	0.0001 (2)	0.0008 (2)	0.0007 (2)
O7	0.0137 (13)	0.0055 (12)	0.0081 (12)	−0.0021 (10)	0.0003 (10)	0.0016 (10)
O3	0.0123 (13)	0.0130 (13)	0.0091 (13)	0.0030 (10)	0.0036 (10)	0.0028 (10)
C1	0.0104 (17)	0.0061 (16)	0.0077 (16)	0.0015 (13)	0.0016 (13)	0.0017 (13)

C2—P4	1.803 (4)	O13—K1	3.018 (3)
C2—P3	1.804 (4)	O13—K2	3.156 (3)
C2—H2A	0.97	O13—H13	0.837 (19)
C2—H2B	0.97	O14—P3	1.502 (3)
O2—P1	1.509 (3)	O14—K2ii	2.829 (3)
O1—Co1	2.052 (3)	P1—O7	1.575 (3)
O2—Co1	2.132 (2)	P1—C1	1.795 (4)
O3—Co1	2.127 (3)	P2—C1	1.806 (4)
O1—P2	1.503 (3)	K1—O12v	2.776 (3)
O1—K1	2.779 (3)	K1—O5vi	2.780 (3)
O4—P2	1.581 (3)	K1—O6vi	2.871 (3)
O4—K1	2.922 (3)	K1—O3vii	3.023 (3)
O4—K2i	3.235 (3)	K1—O2viii	3.153 (3)
O4—H4	0.84 (2)	K2—O14vi	2.829 (3)
O5—P2	1.501 (3)	K2—O11vi	2.909 (3)
O5—K1ii	2.780 (3)	K2—O10iv	2.913 (3)
O5—K2iii	2.936 (3)	K2—O5ix	2.936 (3)
O6—P1	1.516 (3)	K2—O7viii	3.076 (3)
O6—K1ii	2.871 (3)	K2—O4x	3.235 (3)
O8—Co2	2.081 (3)	K2—O8vi	3.334 (3)
O8—K2ii	3.334 (3)	Co1—O1viii	2.052 (3)
O8—H8B	0.854 (19)	Co1—O3	2.126 (3)
O8—H8A	0.845 (19)	Co1—O3viii	2.126 (3)
O9—P3	1.525 (3)	Co1—O2viii	2.132 (2)
O9—Co2	2.117 (2)	Co2—O10iv	2.064 (3)
O9—K2	2.816 (3)	Co2—O8iv	2.081 (3)
O10—P4	1.508 (3)	Co2—O9iv	2.117 (2)
O10—Co2	2.064 (3)	O7—K2viii	3.076 (3)
O10—K2iv	2.913 (3)	O7—H7	0.849 (19)
O11—P4	1.523 (3)	O3—K1vii	3.023 (3)
O11—K2ii	2.909 (3)	O3—H3B	0.855 (19)
O12—P4	1.575 (3)	O3—H3A	0.851 (19)
O12—K1v	2.776 (3)	C1—H1A	0.97
O12—H12	0.848 (12)	C1—H1B	0.97
O13—P3	1.581 (3)
P4—C2—P3	115.32 (19)	P2vi—K1—H13	153.4 (10)
P4—C2—H2A	108.4	Co1—K1—H13	54.0 (7)
P3—C2—H2A	108.4	K2i—K1—H13	146.4 (9)
P4—C2—H2B	108.4	O9—K2—O14vi	135.52 (8)
P3—C2—H2B	108.4	O9—K2—O11vi	83.20 (8)
H2A—C2—H2B	107.5	O9—K2—O10iv	60.10 (7)
P1—O2—Co1	127.62 (15)	O9—K2—O5ix	130.52 (8)
P2—O1—Co1	133.27 (16)	O9—K2—O7viii	77.74 (7)
P2—O1—K1	106.53 (13)	O5ix—K2—O7viii	91.81 (8)
Co1—O1—K1	108.92 (11)	O9—K2—O13	49.14 (7)
P2—O4—K1	98.19 (12)	O14vi—K2—O13	86.68 (8)
P2—O4—H4	110 (4)	O11vi—K2—O13	66.26 (7)
K1—O4—H4	148 (4)	O10iv—K2—O13	107.66 (7)
K2i—O4—H4	66 (4)	O5ix—K2—O13	150.33 (8)
Co2—O8—H8B	127 (3)	O7viii—K2—O13	58.52 (7)
K2ii—O8—H8B	99 (3)	O9—K2—O4x	50.98 (7)
Co2—O8—H8A	123 (3)	O13—K2—O4x	82.11 (7)
K2ii—O8—H8A	60 (4)	O9—K2—O8vi	127.53 (8)
H8B—O8—H8A	110 (3)	O13—K2—O8vi	159.31 (8)
P3—O9—Co2	130.58 (16)	O9—K2—P3	23.35 (5)
P3—O9—K2	109.60 (13)	O14vi—K2—P3	112.35 (6)
Co2—O9—K2	101.82 (10)	O11vi—K2—P3	73.94 (6)
P4—O10—Co2	129.21 (16)	O10iv—K2—P3	82.69 (6)
P4—O12—H12	115.7 (19)	O5ix—K2—P3	145.87 (6)
K1v—O12—H12	98 (2)	O7viii—K2—P3	66.54 (5)
P3—O13—K1	155.08 (15)	O13—K2—P3	25.79 (5)
P3—O13—K2	93.90 (12)	O4x—K2—P3	64.15 (5)
K1—O13—K2	106.16 (8)	O8vi—K2—P3	147.32 (6)
P3—O13—H13	118 (4)	O9—K2—P4vi	103.51 (6)
K1—O13—H13	71 (4)	O13—K2—P4vi	88.53 (5)
K2—O13—H13	107 (4)	P3—K2—P4vi	97.09 (3)
O2—P1—O6	114.49 (15)	O9—K2—P3vi	143.95 (6)
O2—P1—O7	105.55 (15)	P3—K2—P3vi	124.45 (3)
O6—P1—O7	111.05 (15)	O1viii—Co1—O1	180.00 (7)
O2—P1—C1	109.75 (16)	O1viii—Co1—O3	85.70 (11)
O6—P1—C1	109.14 (16)	O1—Co1—O3	94.30 (11)
O7—P1—C1	106.53 (15)	O1—Co1—O3viii	85.70 (11)
O5—P2—O1	118.26 (16)	O3—Co1—O3viii	180
O5—P2—O4	111.00 (15)	O1viii—Co1—O2	83.75 (10)
O1—P2—O4	104.54 (15)	O1—Co1—O2	96.25 (10)
O5—P2—C1	109.50 (17)	O3—Co1—O2	90.87 (10)
O1—P2—C1	107.35 (16)	O3viii—Co1—O2	89.13 (10)
O4—P2—C1	105.35 (15)	O1—Co1—O2viii	83.75 (10)
O5—P2—K1	130.08 (11)	O3—Co1—O2viii	89.13 (10)
O1—P2—K1	49.28 (11)	O2—Co1—O2viii	180
O4—P2—K1	55.38 (10)	O1viii—Co1—K1	138.32 (8)
C1—P2—K1	120.38 (13)	O1—Co1—K1	41.68 (8)
O14—P3—O9	114.63 (15)	O3—Co1—K1	69.01 (7)
O14—P3—O13	112.37 (15)	O3viii—Co1—K1	110.99 (7)
O9—P3—O13	107.36 (15)	O2—Co1—K1	127.38 (7)
O14—P3—C2	111.63 (17)	O2viii—Co1—K1	52.62 (7)
O9—P3—C2	107.33 (16)	O1—Co1—K1viii	138.32 (8)
O13—P3—C2	102.70 (15)	O3—Co1—K1viii	110.99 (7)
O14—P3—K2	131.70 (12)	O2—Co1—K1viii	52.62 (7)
O9—P3—K2	47.05 (10)	K1—Co1—K1viii	180
O13—P3—K2	60.31 (10)	O10iv—Co2—O10	180
C2—P3—K2	116.55 (12)	O10iv—Co2—O8	91.42 (11)
O10—P4—O11	113.25 (15)	O10—Co2—O8	88.58 (11)
O10—P4—O12	108.39 (15)	O10—Co2—O8iv	91.42 (11)
O11—P4—O12	110.21 (15)	O8—Co2—O8iv	180.00 (14)
O10—P4—C2	111.43 (16)	O10iv—Co2—O9	86.68 (10)
O11—P4—C2	107.68 (16)	O10—Co2—O9	93.32 (10)
O12—P4—C2	105.61 (16)	O8—Co2—O9	89.71 (10)
O1—K1—O4	50.58 (7)	O8iv—Co2—O9	90.29 (10)
O5vi—K1—O4	90.83 (8)	O10—Co2—O9iv	86.68 (10)
O6vi—K1—O4	71.15 (8)	O8—Co2—O9iv	90.29 (10)
O12v—K1—O13	69.91 (8)	O9—Co2—O9iv	180.0000 (10)
O1—K1—O13	66.27 (8)	O10iv—Co2—K2	48.07 (7)
O5vi—K1—O13	146.12 (8)	O10—Co2—K2	131.93 (7)
O6vi—K1—O13	142.50 (8)	O8—Co2—K2	110.65 (8)
O4—K1—O13	99.99 (8)	O8iv—Co2—K2	69.35 (8)
O1—K1—P2	24.20 (6)	O9—Co2—K2	45.66 (7)
O5vi—K1—P2	116.53 (7)	O9iv—Co2—K2	134.34 (7)
O6vi—K1—P2	76.27 (6)	O10—Co2—K2iv	48.07 (7)
O4—K1—P2	26.43 (5)	O8—Co2—K2iv	69.35 (8)
O13—K1—P2	81.17 (6)	O9—Co2—K2iv	134.34 (7)
O1—K1—Co1	29.41 (6)	K2—Co2—K2iv	180.00 (2)
O5vi—K1—Co1	146.14 (6)	P1—O7—K2viii	139.92 (14)
O6vi—K1—Co1	74.83 (5)	P1—O7—H7	116 (3)
O4—K1—Co1	76.27 (5)	K2viii—O7—H7	90 (3)
O13—K1—Co1	67.68 (5)	Co1—O3—K1vii	118.88 (11)
O3vii—K1—Co1	90.27 (5)	Co1—O3—H3B	117 (3)
O2viii—K1—Co1	32.50 (5)	K1vii—O3—H3B	104 (3)
P2—K1—Co1	51.534 (19)	Co1—O3—H3A	118 (3)
O1—K1—H13	59.5 (10)	K1vii—O3—H3A	85 (3)
O5vi—K1—H13	159.3 (8)	H3B—O3—H3A	110 (3)
O6vi—K1—H13	127.9 (5)	P1—C1—P2	115.47 (19)
O4—K1—H13	102.4 (10)	P1—C1—H1A	108.4
O13—K1—H13	16.1 (4)	P2—C1—H1A	108.4
O3vii—K1—H13	87.6 (9)	P1—C1—H1B	108.4
O2viii—K1—H13	34.1 (4)	P2—C1—H1B	108.4
P2—K1—H13	79.2 (10)	H1A—C1—H1B	107.5

D—H···A	D—H	H···A	D···A	D—H···A
O3—H3A···O14viii	0.85 (2)	1.83 (2)	2.680 (4)	175 (4)
O3—H3B···O6vi	0.86 (2)	1.89 (2)	2.737 (4)	172 (4)
O4—H4···O9i	0.84 (2)	1.81 (2)	2.632 (4)	166 (5)
O7—H7···O6xi	0.85 (2)	1.72 (2)	2.570 (4)	177 (5)
O8—H8A···O5x	0.85 (2)	1.84 (2)	2.678 (4)	170 (4)
O8—H8B···O11xii	0.85 (2)	1.84 (2)	2.687 (4)	176 (5)
O12—H12···O11xiii	0.85 (1)	1.72 (1)	2.561 (4)	175 (5)
O13—H13···O2viii	0.84 (2)	1.78 (2)	2.616 (4)	174 (5)

Table 1

Selected bond lengths (Å)

O1—Co1	2.052 (3)
O2—Co1	2.132 (2)
O3—Co1	2.127 (3)
O8—Co2	2.081 (3)
O9—Co2	2.117 (2)
O10—Co2	2.064 (3)

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O3—H3A⋯O14i	0.85 (2)	1.83 (2)	2.680 (4)	175 (4)
O3—H3B⋯O6ii	0.86 (2)	1.89 (2)	2.737 (4)	172 (4)
O4—H4⋯O9iii	0.84 (2)	1.81 (2)	2.632 (4)	166 (5)
O7—H7⋯O6iv	0.85 (2)	1.72 (2)	2.570 (4)	177 (5)
O8—H8A⋯O5v	0.85 (2)	1.84 (2)	2.678 (4)	170 (4)
O8—H8B⋯O11vi	0.85 (2)	1.84 (2)	2.687 (4)	176 (5)
O12—H12⋯O11vii	0.85 (1)	1.72 (1)	2.561 (4)	175 (5)
O13—H13⋯O2i	0.84 (2)	1.78 (2)	2.616 (4)	174 (5)

Symmetry codes: (i) ; (ii) ; (iii) ; (iv) ; (v) ; (vi) ; (vii) .