inorganic compounds\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

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ISSN: 2056-9890

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

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 CoII 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 CoII 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[Xue, Z., Lin, M., Zhu, J., Zhang, J., Li, Y. & Guo, Z. (2010). Chem. Commun. 46, 1212-1214.]); Torres Martin de Rosales et al. (2009[Torres Martin de Rosales, R., Finucane, C., Mather, S. J. & Blower, P. J. (2009). Chem. Commun. 32, 4847-4849.]); Galanski et al. (2003[Galanski, M., Slaby, S., Jakupec, M. A. & Keppler, B. K. (2003). J. Med. Chem. 46, 4946-4951.]); Margiotta et al. (2007[Margiotta, N., Ostuni, R., Teoli, D., Morpurgo, M., Realdon, N., Palazzo, B. & Natile, G. (2007). Dalton Trans. pp. 3131-3139.]); Mesri et al. (1996[Mesri, E. A., Cesarman, E., Arvanitakis, L., Rafii, S., Moore, M. A., Posnett, D. N., Knowles, D. M. & Asch, A. S. (1996). J. Exp. Med. 183, 2385-2390.]).

Experimental

Crystal data
  • [CoNa(CO5P)(H2O)5]

  • Mr = 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[Jacobson, R. (1998). REQAB. Private communication to the Rigaku Corporation, Tokyo, Japan.]) Tmin = 0.636, Tmax = 0.899

  • 3715 measured reflections

  • 1691 independent reflections

  • 1539 reflections with I > 2σ(I)

  • Rint = 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

  • Δρmax = 0.37 e Å−3

  • Δρmin = −0.45 e Å−3

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A D—H H⋯A DA 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) [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[Rigaku (1999). CrystalClear. Rigaku Corporation, Tokyo, Japan.]); cell refinement: CrystalClear; data reduction: CrystalStructure (Rigaku/MSC & Rigaku, 2000[Rigaku/MSC & Rigaku (2000). CrystalStructure. Rigaku/MSC, The Woodands, Texas, USA, and Rigaku Coporation, Tokyo, Japan.]); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: publCIF (Westrip, 2010[Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.]).

Supporting information


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%).

Refinement top

H atoms of the water molecules were located in a difference Fourier map and refined, with O—H distances restrained to 0.82 Å.

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
[Figure 1] 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.
[Figure 2] 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
Mr = 294.98Dx = 2.135 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71075 Å
Hall symbol: -P 2ybcCell parameters from 3028 reflections
a = 8.299 (2) Åθ = 3.1–27.5°
b = 11.785 (3) ŵ = 2.13 mm1
c = 9.769 (3) ÅT = 223 K
β = 106.204 (4)°Block, pink
V = 917.5 (4) Å30.30 × 0.14 × 0.05 mm
Z = 4
Data collection top
Rigaku Saturn
diffractometer
1691 independent reflections
Radiation source: fine-focus sealed tube1539 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.028
Detector resolution: 14.63 pixels mm-1θmax = 25.5°, θmin = 3.1°
ω scansh = 810
Absorption correction: multi-scan
(REQAB; Jacobson, 1998)
k = 1214
Tmin = 0.636, Tmax = 0.899l = 117
3715 measured reflections
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.035Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.066All 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 parametersΔρmax = 0.37 e Å3
10 restraintsΔρmin = 0.45 e Å3
Crystal data top
[CoNa(CO5P)(H2O)5]V = 917.5 (4) Å3
Mr = 294.98Z = 4
Monoclinic, P21/cMo Kα radiation
a = 8.299 (2) ŵ = 2.13 mm1
b = 11.785 (3) ÅT = 223 K
c = 9.769 (3) Å0.30 × 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)
Tmin = 0.636, Tmax = 0.899Rint = 0.028
3715 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.03510 restraints
wR(F2) = 0.066All H-atom parameters refined
S = 1.09Δρmax = 0.37 e Å3
1691 reflectionsΔρmin = 0.45 e Å3
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
xyzUiso*/Ueq
Co10.08112 (5)0.64526 (3)0.69444 (4)0.01133 (13)
P10.00606 (10)0.38705 (6)0.65570 (8)0.01079 (19)
Na10.49306 (16)0.63218 (10)0.95685 (13)0.0201 (3)
O10.1359 (3)0.47211 (16)0.6737 (2)0.0137 (5)
O20.0139 (3)0.30646 (17)0.7807 (2)0.0146 (5)
O30.0498 (3)0.32183 (16)0.5160 (2)0.0147 (5)
O40.1606 (3)0.58356 (16)0.6816 (2)0.0158 (5)
O50.3256 (3)0.43235 (17)0.6558 (2)0.0189 (5)
O60.1718 (3)0.62170 (19)0.9232 (2)0.0179 (5)
H6A0.139 (5)0.668 (3)0.971 (4)0.047 (14)*
H6B0.164 (4)0.5600 (16)0.960 (3)0.024 (10)*
O70.3298 (3)0.71602 (19)0.7377 (3)0.0171 (5)
H7A0.313 (6)0.777 (2)0.770 (5)0.088 (19)*
H7B0.388 (4)0.706 (3)0.683 (3)0.029 (11)*
O80.7866 (3)0.6010 (2)0.9711 (3)0.0226 (6)
H8A0.850 (4)0.636 (3)1.038 (3)0.048 (14)*
H8B0.816 (4)0.619 (3)0.901 (2)0.027 (11)*
O90.5412 (3)0.5383 (2)1.1731 (3)0.0189 (5)
H9A0.473 (3)0.540 (3)1.220 (3)0.031 (12)*
H9B0.639 (2)0.537 (3)1.221 (4)0.040 (13)*
O100.5291 (3)0.8103 (2)1.0633 (3)0.0219 (6)
H10A0.484 (7)0.866 (3)1.017 (5)0.12 (2)*
H10B0.620 (3)0.839 (3)1.104 (4)0.043 (13)*
C10.1872 (4)0.4775 (2)0.6624 (3)0.0133 (7)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Co10.0135 (2)0.0099 (2)0.0113 (2)0.00024 (18)0.00465 (17)0.00001 (17)
P10.0130 (4)0.0095 (4)0.0109 (4)0.0001 (3)0.0048 (3)0.0003 (3)
Na10.0223 (7)0.0168 (6)0.0199 (7)0.0021 (6)0.0037 (6)0.0001 (5)
O10.0123 (11)0.0095 (10)0.0190 (12)0.0013 (9)0.0040 (9)0.0003 (9)
O20.0205 (12)0.0125 (10)0.0101 (11)0.0016 (9)0.0030 (9)0.0013 (9)
O30.0230 (13)0.0117 (10)0.0101 (11)0.0018 (9)0.0055 (10)0.0005 (9)
O40.0170 (12)0.0103 (10)0.0222 (12)0.0006 (9)0.0090 (10)0.0009 (9)
O50.0135 (12)0.0158 (11)0.0286 (14)0.0032 (10)0.0078 (10)0.0000 (10)
O60.0261 (14)0.0141 (12)0.0152 (12)0.0033 (11)0.0085 (11)0.0011 (11)
O70.0197 (14)0.0171 (12)0.0173 (13)0.0003 (11)0.0096 (11)0.0026 (10)
O80.0244 (14)0.0275 (13)0.0157 (14)0.0062 (11)0.0054 (12)0.0047 (12)
O90.0153 (14)0.0238 (13)0.0187 (14)0.0017 (11)0.0065 (12)0.0003 (10)
O100.0221 (15)0.0181 (12)0.0250 (15)0.0031 (11)0.0059 (12)0.0010 (11)
C10.0145 (17)0.0158 (16)0.0098 (17)0.0013 (14)0.0038 (14)0.0018 (13)
Geometric parameters (Å, º) top
Co1—O3i2.036 (2)Na1—H7A2.64 (4)
Co1—O2ii2.097 (2)O2—Co1iv2.097 (2)
Co1—O42.104 (2)O3—Co1i2.036 (2)
Co1—O12.113 (2)O4—C11.274 (3)
Co1—O72.156 (3)O5—C11.251 (4)
Co1—O62.168 (2)O6—H6A0.819 (10)
P1—O11.519 (2)O6—H6B0.820 (10)
P1—O21.519 (2)O7—H7A0.817 (10)
P1—O31.520 (2)O7—H7B0.820 (10)
P1—C11.859 (3)O8—H8A0.821 (10)
Na1—O92.319 (3)O8—H8B0.817 (10)
Na1—O102.325 (3)O9—Na1iii2.351 (3)
Na1—O9iii2.351 (3)O9—H9A0.822 (10)
Na1—O72.404 (3)O9—H9B0.818 (10)
Na1—O82.429 (3)O10—H10A0.822 (10)
Na1—O62.596 (3)O10—H10B0.818 (10)
Na1—Na1iii3.221 (2)
O3i—Co1—O2ii89.89 (8)O8—Na1—Na1iii82.90 (8)
O3i—Co1—O498.89 (9)O6—Na1—Na1iii87.00 (7)
O2ii—Co1—O486.39 (8)O9—Na1—H7A149.2 (10)
O3i—Co1—O193.29 (8)O10—Na1—H7A72.6 (5)
O2ii—Co1—O1169.80 (9)O9iii—Na1—H7A102.7 (5)
O4—Co1—O183.54 (8)O7—Na1—H7A17.9 (5)
O3i—Co1—O788.26 (9)O8—Na1—H7A120.2 (11)
O2ii—Co1—O789.84 (9)O6—Na1—H7A65.1 (11)
O4—Co1—O7171.90 (9)Na1iii—Na1—H7A141.2 (8)
O1—Co1—O799.94 (9)P1—O1—Co1117.89 (13)
O3i—Co1—O6167.17 (9)P1—O2—Co1iv134.36 (12)
O2ii—Co1—O691.74 (8)P1—O3—Co1i137.88 (13)
O4—Co1—O693.92 (9)C1—O4—Co1118.1 (2)
O1—Co1—O687.32 (8)Co1—O6—Na199.98 (10)
O7—Co1—O679.02 (9)Co1—O6—H6A116 (3)
O1—P1—O2114.36 (12)Na1—O6—H6A113 (3)
O1—P1—O3114.88 (13)Co1—O6—H6B121 (2)
O2—P1—O3110.56 (12)Na1—O6—H6B101 (2)
O1—P1—C1103.06 (13)H6A—O6—H6B105 (4)
O2—P1—C1103.76 (14)Co1—O7—Na1106.63 (11)
O3—P1—C1109.21 (12)Co1—O7—H7A99 (4)
O9—Na1—O1093.19 (10)Na1—O7—H7A98 (3)
O9—Na1—O9iii92.76 (10)Co1—O7—H7B121 (3)
O10—Na1—O9iii173.87 (11)Na1—O7—H7B103 (2)
O9—Na1—O7156.76 (11)H7A—O7—H7B125 (4)
O10—Na1—O789.86 (9)Na1—O8—H8A112 (3)
O9iii—Na1—O785.24 (9)Na1—O8—H8B116 (3)
O9—Na1—O887.73 (10)H8A—O8—H8B105 (4)
O10—Na1—O896.27 (10)Na1—O9—Na1iii87.24 (10)
O9iii—Na1—O882.52 (10)Na1—O9—H9A122 (3)
O7—Na1—O8114.84 (10)Na1iii—O9—H9A109 (3)
O9—Na1—O690.14 (9)Na1—O9—H9B115 (3)
O10—Na1—O695.69 (9)Na1iii—O9—H9B104 (3)
O9iii—Na1—O685.74 (9)H9A—O9—H9B114 (4)
O7—Na1—O666.63 (9)Na1—O10—H10A119 (4)
O8—Na1—O6167.95 (9)Na1—O10—H10B125 (3)
O9—Na1—Na1iii46.79 (7)H10A—O10—H10B99 (4)
O10—Na1—Na1iii139.96 (10)O5—C1—O4123.0 (3)
O9iii—Na1—Na1iii45.97 (7)O5—C1—P1119.6 (2)
O7—Na1—Na1iii126.93 (8)O4—C1—P1117.3 (2)
O2—P1—O1—Co1112.78 (14)O7—Na1—O6—Co120.00 (8)
O3—P1—O1—Co1117.81 (14)O8—Na1—O6—Co179.7 (5)
C1—P1—O1—Co10.87 (16)Na1iii—Na1—O6—Co1112.70 (8)
O3i—Co1—O1—P196.88 (14)O3i—Co1—O7—Na1154.99 (11)
O2ii—Co1—O1—P111.0 (5)O2ii—Co1—O7—Na1115.12 (11)
O4—Co1—O1—P11.70 (13)O4—Co1—O7—Na152.9 (6)
O7—Co1—O1—P1174.31 (13)O1—Co1—O7—Na161.95 (11)
O6—Co1—O1—P195.95 (14)O6—Co1—O7—Na123.32 (10)
O1—P1—O2—Co1iv157.24 (16)O9—Na1—O7—Co119.2 (3)
O3—P1—O2—Co1iv25.7 (2)O10—Na1—O7—Co1116.96 (11)
C1—P1—O2—Co1iv91.3 (2)O9iii—Na1—O7—Co166.71 (11)
O1—P1—O3—Co1i43.0 (2)O8—Na1—O7—Co1146.19 (10)
O2—P1—O3—Co1i174.31 (17)O6—Na1—O7—Co120.70 (9)
C1—P1—O3—Co1i72.1 (2)Na1iii—Na1—O7—Co145.96 (16)
O3i—Co1—O4—C189.9 (2)O10—Na1—O9—Na1iii178.55 (11)
O2ii—Co1—O4—C1179.2 (2)O9iii—Na1—O9—Na1iii0.0
O1—Co1—O4—C12.5 (2)O7—Na1—O9—Na1iii84.4 (2)
O7—Co1—O4—C1118.4 (6)O8—Na1—O9—Na1iii82.39 (9)
O6—Co1—O4—C189.3 (2)O6—Na1—O9—Na1iii85.74 (9)
O3i—Co1—O6—Na113.2 (4)Co1—O4—C1—O5178.7 (2)
O2ii—Co1—O6—Na1110.39 (9)Co1—O4—C1—P12.6 (3)
O4—Co1—O6—Na1163.11 (8)O1—P1—C1—O5177.4 (2)
O1—Co1—O6—Na179.78 (9)O2—P1—C1—O557.9 (3)
O7—Co1—O6—Na120.89 (9)O3—P1—C1—O560.1 (3)
O9—Na1—O6—Co1159.41 (9)O1—P1—C1—O41.1 (3)
O10—Na1—O6—Co1107.37 (10)O2—P1—C1—O4118.4 (2)
O9iii—Na1—O6—Co166.65 (10)O3—P1—C1—O4123.7 (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, y1/2, z+3/2.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O10—H10B···O4v0.82 (1)1.99 (1)2.805 (3)173 (4)
O10—H10A···O5ii0.82 (1)1.99 (3)2.736 (3)151 (5)
O9—H9B···O1iii0.82 (1)1.87 (1)2.683 (3)178 (4)
O9—H9A···O5vi0.82 (1)1.98 (1)2.790 (4)171 (4)
O8—H8B···O4vii0.82 (1)2.24 (2)2.988 (4)152 (3)
O8—H8A···O2iii0.82 (1)1.94 (1)2.751 (3)168 (4)
O7—H7B···O10viii0.82 (1)1.88 (1)2.703 (4)177 (4)
O7—H7A···O5ii0.82 (1)1.96 (2)2.757 (3)166 (5)
O6—H6B···O8iii0.82 (1)2.02 (2)2.806 (3)161 (4)
O6—H6A···O3ii0.82 (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, z1/2.

Experimental details

Crystal data
Chemical formula[CoNa(CO5P)(H2O)5]
Mr294.98
Crystal system, space groupMonoclinic, P21/c
Temperature (K)223
a, b, c (Å)8.299 (2), 11.785 (3), 9.769 (3)
β (°) 106.204 (4)
V3)917.5 (4)
Z4
Radiation typeMo Kα
µ (mm1)2.13
Crystal size (mm)0.30 × 0.14 × 0.05
Data collection
DiffractometerRigaku Saturn
diffractometer
Absorption correctionMulti-scan
(REQAB; Jacobson, 1998)
Tmin, Tmax0.636, 0.899
No. of measured, independent and
observed [I > 2σ(I)] reflections
3715, 1691, 1539
Rint0.028
(sin θ/λ)max1)0.605
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.035, 0.066, 1.09
No. of reflections1691
No. of parameters168
No. of restraints10
H-atom treatmentAll H-atom parameters refined
Δρmax, Δρmin (e Å3)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···AD—HH···AD···AD—H···A
O10—H10B···O4i0.818 (10)1.991 (12)2.805 (3)173 (4)
O10—H10A···O5ii0.822 (10)1.99 (3)2.736 (3)151 (5)
O9—H9B···O1iii0.818 (10)1.865 (11)2.683 (3)178 (4)
O9—H9A···O5iv0.822 (10)1.975 (12)2.790 (4)171 (4)
O8—H8B···O4v0.817 (10)2.243 (19)2.988 (4)152 (3)
O8—H8A···O2iii0.821 (10)1.943 (13)2.751 (3)168 (4)
O7—H7B···O10vi0.820 (10)1.884 (11)2.703 (4)177 (4)
O7—H7A···O5ii0.817 (10)1.957 (16)2.757 (3)166 (5)
O6—H6B···O8iii0.820 (10)2.017 (15)2.806 (3)161 (4)
O6—H6A···O3ii0.819 (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, z1/2.
 

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

First citationGalanski, M., Slaby, S., Jakupec, M. A. & Keppler, B. K. (2003). J. Med. Chem. 46, 4946–4951.  Web of Science CrossRef PubMed CAS
First citationJacobson, R. (1998). REQAB. Private communication to the Rigaku Corporation, Tokyo, Japan.
First citationMargiotta, N., Ostuni, R., Teoli, D., Morpurgo, M., Realdon, N., Palazzo, B. & Natile, G. (2007). Dalton Trans. pp. 3131–3139.  Web of Science CrossRef
First citationMesri, E. A., Cesarman, E., Arvanitakis, L., Rafii, S., Moore, M. A., Posnett, D. N., Knowles, D. M. & Asch, A. S. (1996). J. Exp. Med. 183, 2385–2390.  CrossRef CAS PubMed Web of Science
First citationRigaku (1999). CrystalClear. Rigaku Corporation, Tokyo, Japan.
First citationRigaku/MSC & Rigaku (2000). CrystalStructure. Rigaku/MSC, The Woodands, Texas, USA, and Rigaku Coporation, Tokyo, Japan.
First citationSheldrick, G. M. (2008). Acta Cryst. A64, 112–122.  Web of Science CrossRef CAS IUCr Journals
First citationTorres Martin de Rosales, R., Finucane, C., Mather, S. J. & Blower, P. J. (2009). Chem. Commun. 32, 4847–4849.  Web of Science CrossRef
First citationWestrip, S. P. (2010). J. Appl. Cryst. 43, 920–925.  Web of Science CrossRef CAS IUCr Journals
First citationXue, Z., Lin, M., Zhu, J., Zhang, J., Li, Y. & Guo, Z. (2010). Chem. Commun. 46, 1212–1214.  Web of Science CSD CrossRef CAS

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