Poly[tri-μ-aqua-di-aqua-μ-phosphono-formato-cobalt(II)sodium].

The title complex, [CoNa(CO5P)(H2O)5]n, was obtained by reacting sodium phosphono-formate with cobalt nitrate. The complex contains cobalt(II) and sodium ions, which are bridged by the O atoms of two aqua ligands. The Co(II) ion is octahedrally coordinated by three phosphonoformato ligands (one bi- and the other monodentate) and by two O atoms from the bridging aqua ligands. The sodium cation is hexa-coordinated by six O atoms from four bridging and two terminal aqua ligands. The complex mol-ecules are linked to give a three-dimensional structure by phosphono-formate ligands bridging Co(II) atoms and water mol-ecules establishing cobalt-sodium bridges. O-H⋯O hydrogen bonding between the aqua ligands and all O atoms of the phosphono-formato ligand and neighbouring aqua ligands help to consolidate the packing.

Related literature

For biological applications of organo­phospho­rus complexes, see: Xue et al. (2010 ▶); Torres Martin de Rosales et al. (2009 ▶); Galanski et al. (2003 ▶); Margiotta et al. (2007 ▶); Mesri et al. (1996 ▶).

Experimental

Crystal data

[CoNa(CO5P)(H2O)5]

M = 294.98

Monoclinic,

a = 8.299 (2) Å

b = 11.785 (3) Å

c = 9.769 (3) Å

β = 106.204 (4)°

V = 917.5 (4) Å3

Z = 4

Mo Kα radiation

μ = 2.13 mm−1

T = 223 K

0.30 × 0.14 × 0.05 mm

Data collection

Rigaku Saturn diffractometer

Absorption correction: multi-scan (REQAB; Jacobson, 1998 ▶) T min = 0.636, T max = 0.899

3715 measured reflections

1691 independent reflections

1539 reflections with I > 2σ(I)

R int = 0.028

Refinement

R[F 2 > 2σ(F 2)] = 0.035

wR(F 2) = 0.066

S = 1.09

1691 reflections

168 parameters

10 restraints

All H-atom parameters refined

Δρmax = 0.37 e Å−3

Δρmin = −0.45 e Å−3

Data collection: CrystalClear (Rigaku, 1999 ▶); cell refinement: CrystalClear; data reduction: CrystalStructure (Rigaku/MSC & Rigaku, 2000 ▶); 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: publCIF (Westrip, 2010 ▶).

Click here for additional data file.

Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S1600536813012853/im2427sup1.cif

Click here for additional data file.

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536813012853/im2427Isup2.hkl

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

[CoNa(CO5P)(H2O)5]	F(000) = 596
Mr = 294.98	Dx = 2.135 Mg m−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71075 Å
Hall symbol: -P 2ybc	Cell parameters from 3028 reflections
a = 8.299 (2) Å	θ = 3.1–27.5°
b = 11.785 (3) Å	µ = 2.13 mm−1
c = 9.769 (3) Å	T = 223 K
β = 106.204 (4)°	Block, pink
V = 917.5 (4) Å3	0.30 × 0.14 × 0.05 mm
Z = 4

Rigaku Saturn diffractometer	1691 independent reflections
Radiation source: fine-focus sealed tube	1539 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.028
Detector resolution: 14.63 pixels mm-1	θmax = 25.5°, θmin = 3.1°
ω scans	h = −8→10
Absorption correction: multi-scan (REQAB; Jacobson, 1998)	k = −12→14
Tmin = 0.636, Tmax = 0.899	l = −11→7
3715 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)] = 0.035	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.066	All H-atom parameters refined
S = 1.09	w = 1/[σ2(Fo2) + (0.0277P)2] where P = (Fo2 + 2Fc2)/3
1691 reflections	(Δ/σ)max = 0.001
168 parameters	Δρmax = 0.37 e Å−3
10 restraints	Δρmin = −0.45 e Å−3

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.

	x	y	z	Uiso*/Ueq
Co1	0.08112 (5)	0.64526 (3)	0.69444 (4)	0.01133 (13)
P1	−0.00606 (10)	0.38705 (6)	0.65570 (8)	0.01079 (19)
Na1	0.49306 (16)	0.63218 (10)	0.95685 (13)	0.0201 (3)
O1	0.1359 (3)	0.47211 (16)	0.6737 (2)	0.0137 (5)
O2	0.0139 (3)	0.30646 (17)	0.7807 (2)	0.0146 (5)
O3	−0.0498 (3)	0.32183 (16)	0.5160 (2)	0.0147 (5)
O4	−0.1606 (3)	0.58356 (16)	0.6816 (2)	0.0158 (5)
O5	−0.3256 (3)	0.43235 (17)	0.6558 (2)	0.0189 (5)
O6	0.1718 (3)	0.62170 (19)	0.9232 (2)	0.0179 (5)
H6A	0.139 (5)	0.668 (3)	0.971 (4)	0.047 (14)*
H6B	0.164 (4)	0.5600 (16)	0.960 (3)	0.024 (10)*
O7	0.3298 (3)	0.71602 (19)	0.7377 (3)	0.0171 (5)
H7A	0.313 (6)	0.777 (2)	0.770 (5)	0.088 (19)*
H7B	0.388 (4)	0.706 (3)	0.683 (3)	0.029 (11)*
O8	0.7866 (3)	0.6010 (2)	0.9711 (3)	0.0226 (6)
H8A	0.850 (4)	0.636 (3)	1.038 (3)	0.048 (14)*
H8B	0.816 (4)	0.619 (3)	0.901 (2)	0.027 (11)*
O9	0.5412 (3)	0.5383 (2)	1.1731 (3)	0.0189 (5)
H9A	0.473 (3)	0.540 (3)	1.220 (3)	0.031 (12)*
H9B	0.639 (2)	0.537 (3)	1.221 (4)	0.040 (13)*
O10	0.5291 (3)	0.8103 (2)	1.0633 (3)	0.0219 (6)
H10A	0.484 (7)	0.866 (3)	1.017 (5)	0.12 (2)*
H10B	0.620 (3)	0.839 (3)	1.104 (4)	0.043 (13)*
C1	−0.1872 (4)	0.4775 (2)	0.6624 (3)	0.0133 (7)

	U11	U22	U33	U12	U13	U23
Co1	0.0135 (2)	0.0099 (2)	0.0113 (2)	−0.00024 (18)	0.00465 (17)	0.00001 (17)
P1	0.0130 (4)	0.0095 (4)	0.0109 (4)	0.0001 (3)	0.0048 (3)	0.0003 (3)
Na1	0.0223 (7)	0.0168 (6)	0.0199 (7)	0.0021 (6)	0.0037 (6)	−0.0001 (5)
O1	0.0123 (11)	0.0095 (10)	0.0190 (12)	−0.0013 (9)	0.0040 (9)	0.0003 (9)
O2	0.0205 (12)	0.0125 (10)	0.0101 (11)	−0.0016 (9)	0.0030 (9)	0.0013 (9)
O3	0.0230 (13)	0.0117 (10)	0.0101 (11)	−0.0018 (9)	0.0055 (10)	−0.0005 (9)
O4	0.0170 (12)	0.0103 (10)	0.0222 (12)	−0.0006 (9)	0.0090 (10)	−0.0009 (9)
O5	0.0135 (12)	0.0158 (11)	0.0286 (14)	−0.0032 (10)	0.0078 (10)	0.0000 (10)
O6	0.0261 (14)	0.0141 (12)	0.0152 (12)	0.0033 (11)	0.0085 (11)	0.0011 (11)
O7	0.0197 (14)	0.0171 (12)	0.0173 (13)	0.0003 (11)	0.0096 (11)	−0.0026 (10)
O8	0.0244 (14)	0.0275 (13)	0.0157 (14)	−0.0062 (11)	0.0054 (12)	−0.0047 (12)
O9	0.0153 (14)	0.0238 (13)	0.0187 (14)	0.0017 (11)	0.0065 (12)	0.0003 (10)
O10	0.0221 (15)	0.0181 (12)	0.0250 (15)	−0.0031 (11)	0.0059 (12)	−0.0010 (11)
C1	0.0145 (17)	0.0158 (16)	0.0098 (17)	0.0013 (14)	0.0038 (14)	−0.0018 (13)

Co1—O3i	2.036 (2)	Na1—H7A	2.64 (4)
Co1—O2ii	2.097 (2)	O2—Co1iv	2.097 (2)
Co1—O4	2.104 (2)	O3—Co1i	2.036 (2)
Co1—O1	2.113 (2)	O4—C1	1.274 (3)
Co1—O7	2.156 (3)	O5—C1	1.251 (4)
Co1—O6	2.168 (2)	O6—H6A	0.819 (10)
P1—O1	1.519 (2)	O6—H6B	0.820 (10)
P1—O2	1.519 (2)	O7—H7A	0.817 (10)
P1—O3	1.520 (2)	O7—H7B	0.820 (10)
P1—C1	1.859 (3)	O8—H8A	0.821 (10)
Na1—O9	2.319 (3)	O8—H8B	0.817 (10)
Na1—O10	2.325 (3)	O9—Na1iii	2.351 (3)
Na1—O9iii	2.351 (3)	O9—H9A	0.822 (10)
Na1—O7	2.404 (3)	O9—H9B	0.818 (10)
Na1—O8	2.429 (3)	O10—H10A	0.822 (10)
Na1—O6	2.596 (3)	O10—H10B	0.818 (10)
Na1—Na1iii	3.221 (2)
O3i—Co1—O2ii	89.89 (8)	O8—Na1—Na1iii	82.90 (8)
O3i—Co1—O4	98.89 (9)	O6—Na1—Na1iii	87.00 (7)
O2ii—Co1—O4	86.39 (8)	O9—Na1—H7A	149.2 (10)
O3i—Co1—O1	93.29 (8)	O10—Na1—H7A	72.6 (5)
O2ii—Co1—O1	169.80 (9)	O9iii—Na1—H7A	102.7 (5)
O4—Co1—O1	83.54 (8)	O7—Na1—H7A	17.9 (5)
O3i—Co1—O7	88.26 (9)	O8—Na1—H7A	120.2 (11)
O2ii—Co1—O7	89.84 (9)	O6—Na1—H7A	65.1 (11)
O4—Co1—O7	171.90 (9)	Na1iii—Na1—H7A	141.2 (8)
O1—Co1—O7	99.94 (9)	P1—O1—Co1	117.89 (13)
O3i—Co1—O6	167.17 (9)	P1—O2—Co1iv	134.36 (12)
O2ii—Co1—O6	91.74 (8)	P1—O3—Co1i	137.88 (13)
O4—Co1—O6	93.92 (9)	C1—O4—Co1	118.1 (2)
O1—Co1—O6	87.32 (8)	Co1—O6—Na1	99.98 (10)
O7—Co1—O6	79.02 (9)	Co1—O6—H6A	116 (3)
O1—P1—O2	114.36 (12)	Na1—O6—H6A	113 (3)
O1—P1—O3	114.88 (13)	Co1—O6—H6B	121 (2)
O2—P1—O3	110.56 (12)	Na1—O6—H6B	101 (2)
O1—P1—C1	103.06 (13)	H6A—O6—H6B	105 (4)
O2—P1—C1	103.76 (14)	Co1—O7—Na1	106.63 (11)
O3—P1—C1	109.21 (12)	Co1—O7—H7A	99 (4)
O9—Na1—O10	93.19 (10)	Na1—O7—H7A	98 (3)
O9—Na1—O9iii	92.76 (10)	Co1—O7—H7B	121 (3)
O10—Na1—O9iii	173.87 (11)	Na1—O7—H7B	103 (2)
O9—Na1—O7	156.76 (11)	H7A—O7—H7B	125 (4)
O10—Na1—O7	89.86 (9)	Na1—O8—H8A	112 (3)
O9iii—Na1—O7	85.24 (9)	Na1—O8—H8B	116 (3)
O9—Na1—O8	87.73 (10)	H8A—O8—H8B	105 (4)
O10—Na1—O8	96.27 (10)	Na1—O9—Na1iii	87.24 (10)
O9iii—Na1—O8	82.52 (10)	Na1—O9—H9A	122 (3)
O7—Na1—O8	114.84 (10)	Na1iii—O9—H9A	109 (3)
O9—Na1—O6	90.14 (9)	Na1—O9—H9B	115 (3)
O10—Na1—O6	95.69 (9)	Na1iii—O9—H9B	104 (3)
O9iii—Na1—O6	85.74 (9)	H9A—O9—H9B	114 (4)
O7—Na1—O6	66.63 (9)	Na1—O10—H10A	119 (4)
O8—Na1—O6	167.95 (9)	Na1—O10—H10B	125 (3)
O9—Na1—Na1iii	46.79 (7)	H10A—O10—H10B	99 (4)
O10—Na1—Na1iii	139.96 (10)	O5—C1—O4	123.0 (3)
O9iii—Na1—Na1iii	45.97 (7)	O5—C1—P1	119.6 (2)
O7—Na1—Na1iii	126.93 (8)	O4—C1—P1	117.3 (2)
O2—P1—O1—Co1	−112.78 (14)	O7—Na1—O6—Co1	20.00 (8)
O3—P1—O1—Co1	117.81 (14)	O8—Na1—O6—Co1	−79.7 (5)
C1—P1—O1—Co1	−0.87 (16)	Na1iii—Na1—O6—Co1	−112.70 (8)
O3i—Co1—O1—P1	−96.88 (14)	O3i—Co1—O7—Na1	−154.99 (11)
O2ii—Co1—O1—P1	11.0 (5)	O2ii—Co1—O7—Na1	115.12 (11)
O4—Co1—O1—P1	1.70 (13)	O4—Co1—O7—Na1	52.9 (6)
O7—Co1—O1—P1	174.31 (13)	O1—Co1—O7—Na1	−61.95 (11)
O6—Co1—O1—P1	95.95 (14)	O6—Co1—O7—Na1	23.32 (10)
O1—P1—O2—Co1iv	−157.24 (16)	O9—Na1—O7—Co1	−19.2 (3)
O3—P1—O2—Co1iv	−25.7 (2)	O10—Na1—O7—Co1	−116.96 (11)
C1—P1—O2—Co1iv	91.3 (2)	O9iii—Na1—O7—Co1	66.71 (11)
O1—P1—O3—Co1i	−43.0 (2)	O8—Na1—O7—Co1	146.19 (10)
O2—P1—O3—Co1i	−174.31 (17)	O6—Na1—O7—Co1	−20.70 (9)
C1—P1—O3—Co1i	72.1 (2)	Na1iii—Na1—O7—Co1	45.96 (16)
O3i—Co1—O4—C1	89.9 (2)	O10—Na1—O9—Na1iii	−178.55 (11)
O2ii—Co1—O4—C1	179.2 (2)	O9iii—Na1—O9—Na1iii	0.0
O1—Co1—O4—C1	−2.5 (2)	O7—Na1—O9—Na1iii	84.4 (2)
O7—Co1—O4—C1	−118.4 (6)	O8—Na1—O9—Na1iii	−82.39 (9)
O6—Co1—O4—C1	−89.3 (2)	O6—Na1—O9—Na1iii	85.74 (9)
O3i—Co1—O6—Na1	−13.2 (4)	Co1—O4—C1—O5	178.7 (2)
O2ii—Co1—O6—Na1	−110.39 (9)	Co1—O4—C1—P1	2.6 (3)
O4—Co1—O6—Na1	163.11 (8)	O1—P1—C1—O5	−177.4 (2)
O1—Co1—O6—Na1	79.78 (9)	O2—P1—C1—O5	−57.9 (3)
O7—Co1—O6—Na1	−20.89 (9)	O3—P1—C1—O5	60.1 (3)
O9—Na1—O6—Co1	−159.41 (9)	O1—P1—C1—O4	−1.1 (3)
O10—Na1—O6—Co1	107.37 (10)	O2—P1—C1—O4	118.4 (2)
O9iii—Na1—O6—Co1	−66.65 (10)	O3—P1—C1—O4	−123.7 (2)

D—H···A	D—H	H···A	D···A	D—H···A
O10—H10B···O4v	0.82 (1)	1.99 (1)	2.805 (3)	173 (4)
O10—H10A···O5ii	0.82 (1)	1.99 (3)	2.736 (3)	151 (5)
O9—H9B···O1iii	0.82 (1)	1.87 (1)	2.683 (3)	178 (4)
O9—H9A···O5vi	0.82 (1)	1.98 (1)	2.790 (4)	171 (4)
O8—H8B···O4vii	0.82 (1)	2.24 (2)	2.988 (4)	152 (3)
O8—H8A···O2iii	0.82 (1)	1.94 (1)	2.751 (3)	168 (4)
O7—H7B···O10viii	0.82 (1)	1.88 (1)	2.703 (4)	177 (4)
O7—H7A···O5ii	0.82 (1)	1.96 (2)	2.757 (3)	166 (5)
O6—H6B···O8iii	0.82 (1)	2.02 (2)	2.806 (3)	161 (4)
O6—H6A···O3ii	0.82 (1)	1.97 (2)	2.698 (3)	148 (4)

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O10—H10B⋯O4i	0.82 (1)	1.99 (1)	2.805 (3)	173 (4)
O10—H10A⋯O5ii	0.82 (1)	1.99 (3)	2.736 (3)	151 (5)
O9—H9B⋯O1iii	0.82 (1)	1.87 (1)	2.683 (3)	178 (4)
O9—H9A⋯O5iv	0.82 (1)	1.98 (1)	2.790 (4)	171 (4)
O8—H8B⋯O4v	0.82 (1)	2.24 (2)	2.988 (4)	152 (3)
O8—H8A⋯O2iii	0.82 (1)	1.94 (1)	2.751 (3)	168 (4)
O7—H7B⋯O10vi	0.82 (1)	1.88 (1)	2.703 (4)	177 (4)
O7—H7A⋯O5ii	0.82 (1)	1.96 (2)	2.757 (3)	166 (5)
O6—H6B⋯O8iii	0.82 (1)	2.02 (2)	2.806 (3)	161 (4)
O6—H6A⋯O3ii	0.82 (1)	1.97 (2)	2.698 (3)	148 (4)

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