Poly[tri-μ-aqua-di­aqua-μ-phosphono­formato-cobalt(II)sodium]

Luo, X.-J.; Zhang, X.-Q.

doi:10.1107/S1600536813012853

inorganic compounds

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ISSN: 2056-9890

Volume 69| Part 6| June 2013| Page i35

doi:10.1107/S1600536813012853

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Poly[tri-μ-aqua-diaqua-μ-phosphonoformato-cobalt(II)sodium]

Xu-Jian Luo ^a and Xiu-Qing Zhang ^b ^*

^aCollege of Chemistry and Chemical Engineering, Central South University, Changsha 410083, People's Republic of China, and ^bCollege of Chemistry and Bioengineering, Guilin University of Technology, Guilin 541004, People's Republic of China
^*Correspondence e-mail: zxq0537@126.com

(Received 26 March 2013; accepted 9 May 2013; online 18 May 2013)

The title complex, [CoNa(CO₅P)(H₂O)₅]_n, was obtained by reacting sodium phosphonoformate 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 hexacoordinated by six O atoms from four bridging and two terminal aqua ligands. The complex molecules are linked to give a three-dimensional structure by phosphonoformate ligands bridging Co^II atoms and water molecules establishing cobalt–sodium bridges. O—H⋯O hydrogen bonding between the aqua ligands and all O atoms of the phosphonoformato 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_r = 294.98
Monoclinic, P 2₁ /c
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[F² > 2σ(F²)] = 0.035
wR(F²) = 0.066
S = 1.09
1691 reflections
168 parameters
10 restraints
All H-atom parameters refined
Δρ_max = 0.37 e Å⁻³
Δρ_min = −0.45 e Å⁻³

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⋯O5^iv	0.82 (1)	1.98 (1)	2.790 (4)	171 (4)
O8—H8B⋯O4^v	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⋯O10^vi	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) $[x+1, -y+{\script{3\over 2}}, z+{\script{1\over 2}}]$ ; (ii) $[-x, y+{\script{1\over 2}}, -z+{\script{3\over 2}}]$ ; (iii) -x+1, -y+1, -z+2; (iv) -x, -y+1, -z+2; (v) x+1, y, z; (vi) $[x, -y+{\script{3\over 2}}, z-{\script{1\over 2}}]$ .

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 ).

Supporting information

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536813012853/im2427sup1.cif

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

checkCIF report

Comment top

Organophosphates have been widely used in medicinal chemistry and life science. They play an important role in life processes of substance transportation and energy transformation, and are also important for biological substances, such as ATP, DNA, RNA, etc. Bisphosphonates (BPs) are metabolically stable analogues of pyrophosphates. They have a very high affinity to calcium ions and therefore show a very strong inhibitory effect on osteoclastic resorption. They are used as therapeutic agents for several bone-related diseases. Foscarnet and phosphonoacetic acid are known to inhibit viral DNA polymerase, inhibit the replication of herpes viruses, and also inhibit retroviruses (Mesri et al., 1996). Recently, several bifunctional metal-phosphonate complexes have been explored (Galanski et al., 2003; Margiotta et al., 2007; Xue et al., 2010; Torres Martin de Rosales et al., 2009).

The molecular structure of the title compound is shown in Fig. 1. Each Co(II) ion is in an octahedral environment coordinated by two O atoms (O1, O4) from a chelating phosphonoformate ligand, two O atoms (O6, O7) from two bridging water molecules and two O atoms (O2A, O3B) from two other phosphonoformates. Similarly, the Na(I) ion is coordinated by four O atoms (O6, O7, O8, O9) from four bridging water molecules and two O atoms (O9C, O10) from two terminal water ligands. The complex is linked to 3-D structure by phosphonoformate ligands bridging cobalt atoms and water molecules establishing cobalt sodium bridges (Fig. 2).

Related literature top

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 top

An aqueous solution (15 ml) of Co(NO₃)₂ × 6 H₂O (0.145 g, 0.5 mmol) was added dropwisely to an aqueous solution (15 ml) of sodium phosphonoformate (0.180 g, 0.6 mmol) at 323 K. The resulting mixture was refluxed for 3 h, and then the aqueous solution was allowed to cool down to room temperature. Pink block shaped crystals suitable for X-ray single diffraction analysis were harvested by slow evaporation (yield, 65%).

Computing details top

Data collection: CrystalClear (Rigaku, 1999); cell refinement: CrystalClear (Rigaku, 1999); 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).

Figures top

	Fig. 1. Molecular structure of one repeating unit of the coordination polymer with the atom-numbering scheme displacement ellipsoids drawn at the 30% probability level.
	Fig. 2. Packing diagram of the title compound viewed along c axis.

Poly[tri-µ-aqua-diaqua-µ-phosphonoformato-cobalt(II)sodium] top

Crystal data top

[CoNa(CO₅P)(H₂O)₅]	F(000) = 596
M_r = 294.98	D_x = 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

Data collection top

Rigaku Saturn diffractometer	1691 independent reflections
Radiation source: fine-focus sealed tube	1539 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.028
Detector resolution: 14.63 pixels mm^-1	θ_max = 25.5°, θ_min = 3.1°
ω scans	h = −8→10
Absorption correction: multi-scan (REQAB; Jacobson, 1998)	k = −12→14
T_min = 0.636, T_max = 0.899	l = −11→7
3715 measured reflections

Refinement top

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(F_o²) + (0.0277P)²] where P = (F_o² + 2F_c²)/3
1691 reflections	(Δ/σ)_max = 0.001
168 parameters	Δρ_max = 0.37 e Å⁻³
10 restraints	Δρ_min = −0.45 e Å⁻³

Crystal data top

[CoNa(CO₅P)(H₂O)₅]	V = 917.5 (4) Å³
M_r = 294.98	Z = 4
Monoclinic, P2₁/c	Mo Kα radiation
a = 8.299 (2) Å	µ = 2.13 mm⁻¹
b = 11.785 (3) Å	T = 223 K
c = 9.769 (3) Å	0.30 × 0.14 × 0.05 mm
β = 106.204 (4)°

Data collection top

Rigaku Saturn diffractometer	1691 independent reflections
Absorption correction: multi-scan (REQAB; Jacobson, 1998)	1539 reflections with I > 2σ(I)
T_min = 0.636, T_max = 0.899	R_int = 0.028
3715 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.035	10 restraints
wR(F²) = 0.066	All H-atom parameters refined
S = 1.09	Δρ_max = 0.37 e Å⁻³
1691 reflections	Δρ_min = −0.45 e Å⁻³
168 parameters

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

	x	y	z	U_iso*/U_eq
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)

Atomic displacement parameters (Å²) top

	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)

Geometric parameters (Å, º) top

Co1—O3ⁱ	2.036 (2)	Na1—H7A	2.64 (4)
Co1—O2ⁱⁱ	2.097 (2)	O2—Co1^iv	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—Co1^iv	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—Co1^iv	−157.24 (16)	O9—Na1—O7—Co1	−19.2 (3)
O3—P1—O2—Co1^iv	−25.7 (2)	O10—Na1—O7—Co1	−116.96 (11)
C1—P1—O2—Co1^iv	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)

Symmetry codes: (i) −x, −y+1, −z+1; (ii) −x, y+1/2, −z+3/2; (iii) −x+1, −y+1, −z+2; (iv) −x, y−1/2, −z+3/2.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O10—H10B···O4^v	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···O5^vi	0.82 (1)	1.98 (1)	2.790 (4)	171 (4)
O8—H8B···O4^vii	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···O10^viii	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: (ii) −x, y+1/2, −z+3/2; (iii) −x+1, −y+1, −z+2; (v) x+1, −y+3/2, z+1/2; (vi) −x, −y+1, −z+2; (vii) x+1, y, z; (viii) x, −y+3/2, z−1/2.

Experimental details

Crystal data
Chemical formula	[CoNa(CO₅P)(H₂O)₅]
M_r	294.98
Crystal system, space group	Monoclinic, P2₁/c
Temperature (K)	223
a, b, c (Å)	8.299 (2), 11.785 (3), 9.769 (3)
β (°)	106.204 (4)
V (Å³)	917.5 (4)
Z	4
Radiation type	Mo Kα
µ (mm⁻¹)	2.13
Crystal size (mm)	0.30 × 0.14 × 0.05

Data collection
Diffractometer	Rigaku Saturn diffractometer
Absorption correction	Multi-scan (REQAB; Jacobson, 1998)
T_min, T_max	0.636, 0.899
No. of measured, independent and observed [I > 2σ(I)] reflections	3715, 1691, 1539
R_int	0.028
(sin θ/λ)_max (Å⁻¹)	0.605

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.035, 0.066, 1.09
No. of reflections	1691
No. of parameters	168
No. of restraints	10
H-atom treatment	All H-atom parameters refined
Δρ_max, Δρ_min (e Å⁻³)	0.37, −0.45

Computer programs: CrystalClear (Rigaku, 1999), CrystalStructure (Rigaku/MSC & Rigaku, 2000), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008), publCIF (Westrip, 2010).

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O10—H10B···O4ⁱ	0.818 (10)	1.991 (12)	2.805 (3)	173 (4)
O10—H10A···O5ⁱⁱ	0.822 (10)	1.99 (3)	2.736 (3)	151 (5)
O9—H9B···O1ⁱⁱⁱ	0.818 (10)	1.865 (11)	2.683 (3)	178 (4)
O9—H9A···O5^iv	0.822 (10)	1.975 (12)	2.790 (4)	171 (4)
O8—H8B···O4^v	0.817 (10)	2.243 (19)	2.988 (4)	152 (3)
O8—H8A···O2ⁱⁱⁱ	0.821 (10)	1.943 (13)	2.751 (3)	168 (4)
O7—H7B···O10^vi	0.820 (10)	1.884 (11)	2.703 (4)	177 (4)
O7—H7A···O5ⁱⁱ	0.817 (10)	1.957 (16)	2.757 (3)	166 (5)
O6—H6B···O8ⁱⁱⁱ	0.820 (10)	2.017 (15)	2.806 (3)	161 (4)
O6—H6A···O3ⁱⁱ	0.819 (10)	1.97 (2)	2.698 (3)	148 (4)

Symmetry codes: (i) x+1, −y+3/2, z+1/2; (ii) −x, y+1/2, −z+3/2; (iii) −x+1, −y+1, −z+2; (iv) −x, −y+1, −z+2; (v) x+1, y, z; (vi) x, −y+3/2, z−1/2.

Acknowledgements

The authors thank the Foundation of State Key Laboratory Cultivation Base for the Chemistry and Molecular Engineering of Medicinal Resources (CMEMR2012-A11) and the Research Projects of Guangxi Department of Education (201010LX200) for financial support.

References

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