Penta­aqua­(1H-benzimidazole-5,6-di­carboxyl­ato-κN3)cobalt(II) penta­hydrate

Song, W.-D.; Wang, H.; Li, S.-J.; Qin, P.-W.; Hu, S.-W.

doi:10.1107/S1600536809019904

metal-organic compounds

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ISSN: 2056-9890

Volume 65| Part 6| June 2009| Page m702

doi:10.1107/S1600536809019904

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Pentaaqua(1H-benzimidazole-5,6-dicarboxylato-κN³)cobalt(II) pentahydrate

Wen-Dong Song,^a ^* Hao Wang,^a Shi-Jie Li,^a Pei-Wen Qin ^a and Shi-Wei Hu ^a

^aCollege of Science, Guang Dong Ocean University, Zhanjiang 524088, People's Republic of China
^*Correspondence e-mail: songwd60@126.com

(Received 14 May 2009; accepted 25 May 2009; online 29 May 2009)

In the title mononuclear complex, [Co(C₉H₄N₂O₄)(H₂O)₅]·5H₂O, the Co^II atom exhibits a distorted octahedral geometry involving an N atom of a 1H-benzimidazole-5,6-dicarboxylate ligand and five water O atoms. A supramolecular network is generated through intermolecular O—H⋯O hydrogen-bonding interactions involving the coordinated and uncoordinated water molecules and the carboxyl O atoms of the organic ligand. An intermolecular N—H⋯O hydrogen bond is also observed.

Related literature

For the crystal structures of related compounds, see: Gao et al. (2008 ); Lo et al. (2007 ); Yao et al. (2008 ).

Experimental

Crystal data

[Co(C₉H₄N₂O₄)(H₂O)₅]·5H₂O
M_r = 443.23
Triclinic, $[P \overline 1]$
a = 6.8454 (14) Å
b = 11.480 (2) Å
c = 12.408 (3) Å
α = 78.02 (3)°
β = 78.57 (3)°
γ = 74.80 (3)°
V = 909.7 (4) Å³
Z = 2
Mo Kα radiation
μ = 1.02 mm⁻¹
T = 293 K
0.31 × 0.26 × 0.21 mm

Data collection

Rigaku/MSC Mercury CCD diffractometer
Absorption correction: multi-scan (REQAB; Jacobson, 1998 ) T_min = 0.744, T_max = 0.815
7307 measured reflections
3269 independent reflections
2010 reflections with I > 2σ(I)
R_int = 0.050

Refinement

R[F² > 2σ(F²)] = 0.048
wR(F²) = 0.148
S = 1.19
3269 reflections
235 parameters
30 restraints
H-atom parameters constrained
Δρ_max = 0.85 e Å⁻³
Δρ_min = −1.00 e Å⁻³

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N2—H2⋯O10Wⁱ	0.86	1.99	2.822 (8)	162
O1W—H1W⋯O3ⁱⁱ	0.84	1.78	2.603 (7)	169
O1W—H2W⋯O6Wⁱⁱⁱ	0.84	1.95	2.789 (9)	175
O2W—H4W⋯O8W	0.84	1.90	2.726 (9)	165
O2W—H3W⋯O4ⁱⁱ	0.84	1.78	2.614 (7)	173
O3W—H5W⋯O10W^iv	0.84	1.93	2.752 (8)	167
O3W—H6W⋯O6W^v	0.84	1.92	2.758 (8)	177
O4W—H7W⋯O7Wⁱⁱⁱ	0.84	2.05	2.827 (7)	154
O4W—H8W⋯O1^iv	0.84	1.96	2.801 (8)	176
O5W—H9W⋯O7W	0.84	1.92	2.734 (9)	162
O5W—H10W⋯O2^vi	0.84	1.88	2.700 (7)	164
O6W—H12W⋯O1^vi	0.84	1.98	2.812 (6)	171
O6W—H11W⋯O2W	0.84	2.06	2.865 (6)	161
O7W—H13W⋯O8W	0.84	1.89	2.721 (8)	168
O7W—H14W⋯O2ⁱ	0.84	1.91	2.737 (8)	168
O8W—H15W⋯O1W^vii	0.84	2.05	2.860 (7)	163
O8W—H16W⋯O9W	0.84	1.88	2.699 (7)	166
O9W—H17W⋯O4^vii	0.84	1.93	2.766 (9)	172
O9W—H18W⋯O3	0.84	1.93	2.771 (8)	175
O10W—H20W⋯O1	0.87	1.89	2.747 (7)	168
O10W—H19W⋯O2^vii	0.87	2.54	3.191 (9)	133
Symmetry codes: (i) -x, -y+1, -z+1; (ii) -x, -y+1, -z; (iii) x-1, y, z; (iv) x, y-1, z; (v) -x+1, -y, -z; (vi) x+1, y-1, z; (vii) x+1, y, z.

Data collection: RAPID-AUTO (Rigaku, 1998 ); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002 ); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEPII (Johnson, 1976 ); software used to prepare material for publication: SHELXL97.

Supporting information

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536809019904/rz2326sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536809019904/rz2326Isup2.hkl

checkCIF report

Comment top

In the structural investigation of 1H-benzimidazole-5,6-dicarboxylate complexes, it has been found that the 1H-benzimidazole-5,6-dicarboxylic acid can function as a multidentate ligand (Gao et al., 2008; Lo et al., 2007; Yao et al., 2008), with versatile binding and coordination modes. In this paper, we report the crystal structure of the title compound, a new cobalt(II) complex obtained by the reaction of the 1H-benzimidazole-5,6-dicarboxylic acid and cobalt chloride in alkaline aqueous solution.

As illustrated in Figure 1, the cobalt(II) atom is six-coordinated by one N atom from a 1H-benzimidazole-5,6-dicarboxylate ligand and five O atoms from five water molecules, displaying a distorted octahedral geometry. The O1/O2/C7 and O3/O4/C8 carboxylate groups are tilted with respect to the plane of the benzimidazole ring system by 36.0 (3) and 68.1 (2)°, respectively. Intermolecular O—H···O hydrogen bonding interactions (Table 1) form a three-dimensional supramolecular network involving the coordinated and uncoordinated water molecules as donors and the carboxylate O atoms of the organic ligand as acceptors (Fig. 2). An intermolecular N—H···O hydrogen bond is also observed.

Related literature top

For the crystal structures of related compounds, see: Gao et al. (2008); Lo et al. (2007); Yao et al. (2008).

Experimental top

A mixture of cobalt chloride (1 mmol), 1H-benzimidazole-5,6-dicarboxylic acid (1 mmol), NaOH (1.5 mmol) and H₂O (12 ml) was placed in a 23 ml Teflon reactor, heated to 433 K for three days and then cooled to room temperature at a rate of 10 K h^-1. The crystals obtained were washed with water and dryed in air.

Computing details top

Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO (Rigaku, 1998); data reduction: CrystalStructure (Rigaku/MSC, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008).

Figures top

	Fig. 1. The structure of the title compound, showing the atomic numbering scheme. Non-H atoms are shown with 30% probability displacement ellipsoids.
	Fig. 2. Packing diagram of the title compound viewed along the b axis. Intermolecular hydrogen bonds are shown as dashed lines.

Pentaaqua(1H-benzimidazole-5,6-dicarboxylato-κN³)cobalt(II) pentahydrate top

Crystal data top

[Co(C₉H₄N₂O₄)(H₂O)₅]·5H₂O	Z = 2
M_r = 443.23	F(000) = 462
Triclinic, P1	D_x = 1.618 Mg m⁻³
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 6.8454 (14) Å	Cell parameters from 3600 reflections
b = 11.480 (2) Å	θ = 1.4–28°
c = 12.408 (3) Å	µ = 1.02 mm⁻¹
α = 78.02 (3)°	T = 293 K
β = 78.57 (3)°	Block, pink
γ = 74.80 (3)°	0.31 × 0.26 × 0.21 mm
V = 909.7 (4) Å³

Data collection top

Rigaku/MSC Mercury CCD diffractometer	3269 independent reflections
Radiation source: fine-focus sealed tube	2010 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.050
ω scans	θ_max = 25.2°, θ_min = 3.1°
Absorption correction: multi-scan (REQAB; Jacobson, 1998)	h = −8→8
T_min = 0.744, T_max = 0.815	k = −13→13
7307 measured reflections	l = −13→14

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)] = 0.048	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.148	H-atom parameters constrained
S = 1.19	w = 1/[σ²(F_o²) + (0.025P)² + 3.508P] where P = (F_o² + 2F_c²)/3
3269 reflections	(Δ/σ)_max < 0.001
235 parameters	Δρ_max = 0.85 e Å⁻³
30 restraints	Δρ_min = −1.00 e Å⁻³

Crystal data top

[Co(C₉H₄N₂O₄)(H₂O)₅]·5H₂O	γ = 74.80 (3)°
M_r = 443.23	V = 909.7 (4) Å³
Triclinic, P1	Z = 2
a = 6.8454 (14) Å	Mo Kα radiation
b = 11.480 (2) Å	µ = 1.02 mm⁻¹
c = 12.408 (3) Å	T = 293 K
α = 78.02 (3)°	0.31 × 0.26 × 0.21 mm
β = 78.57 (3)°

Data collection top

Rigaku/MSC Mercury CCD diffractometer	3269 independent reflections
Absorption correction: multi-scan (REQAB; Jacobson, 1998)	2010 reflections with I > 2σ(I)
T_min = 0.744, T_max = 0.815	R_int = 0.050
7307 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.048	30 restraints
wR(F²) = 0.148	H-atom parameters constrained
S = 1.19	Δρ_max = 0.85 e Å⁻³
3269 reflections	Δρ_min = −1.00 e Å⁻³
235 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
Co2	0.10067 (16)	0.09663 (9)	0.24088 (8)	0.0301 (3)
O1	−0.1942 (8)	0.8137 (4)	0.2444 (4)	0.0386 (13)
O2	−0.4507 (8)	0.7825 (5)	0.3797 (4)	0.0417 (13)
O3	0.0523 (8)	0.6536 (5)	0.0471 (4)	0.0420 (14)
O4	−0.2859 (8)	0.6922 (5)	0.0637 (4)	0.0431 (14)
N1	−0.0099 (9)	0.2334 (5)	0.3409 (5)	0.0292 (14)
N2	−0.1506 (9)	0.3081 (5)	0.4971 (5)	0.0351 (15)
H2	−0.1939	0.3096	0.5668	0.042*
C1	−0.2252 (10)	0.6102 (6)	0.3117 (6)	0.0272 (15)
C2	−0.1306 (10)	0.5624 (6)	0.2126 (6)	0.0272 (16)
C3	−0.0533 (11)	0.4390 (6)	0.2134 (6)	0.0292 (16)
H3	0.0095	0.4084	0.1481	0.035*
C4	−0.0722 (10)	0.3611 (6)	0.3154 (6)	0.0259 (15)
C5	−0.1612 (11)	0.4083 (6)	0.4130 (5)	0.0257 (15)
C6	−0.2406 (11)	0.5323 (6)	0.4127 (6)	0.0328 (17)
H6	−0.3025	0.5623	0.4784	0.039*
C7	−0.2974 (11)	0.7460 (7)	0.3101 (6)	0.0323 (17)
C8	−0.1215 (11)	0.6451 (6)	0.0995 (6)	0.0311 (17)
C9	−0.0613 (11)	0.2089 (6)	0.4507 (6)	0.0320 (17)
H9	−0.0373	0.1301	0.4913	0.038*
O1W	−0.1050 (7)	0.1798 (4)	0.1266 (4)	0.0365 (12)
H1W	−0.0713	0.2310	0.0718	0.055*
H2W	−0.1628	0.1323	0.1082	0.055*
O2W	0.3202 (7)	0.1855 (4)	0.1370 (4)	0.0351 (12)
H4W	0.3630	0.2256	0.1731	0.053*
H3W	0.2982	0.2251	0.0739	0.053*
O3W	0.2255 (9)	−0.0454 (5)	0.1511 (5)	0.0526 (16)
H5W	0.2351	−0.1196	0.1787	0.079*
H6W	0.2442	−0.0342	0.0811	0.079*
O4W	−0.1232 (8)	0.0001 (4)	0.3351 (4)	0.0370 (12)
H7W	−0.2302	0.0564	0.3368	0.056*
H8W	−0.1389	−0.0575	0.3079	0.056*
O5W	0.2965 (8)	0.0074 (4)	0.3565 (4)	0.0393 (13)
H9W	0.3548	0.0620	0.3604	0.059*
H10W	0.3815	−0.0593	0.3500	0.059*
O6W	0.6987 (8)	0.0165 (5)	0.0785 (4)	0.0404 (13)
H12W	0.7395	−0.0481	0.1221	0.061*
H11W	0.5769	0.0507	0.1004	0.061*
O7W	0.5026 (8)	0.1541 (5)	0.4139 (5)	0.0472 (14)
H13W	0.5043	0.2127	0.3607	0.071*
H14W	0.4695	0.1786	0.4757	0.071*
O8W	0.5118 (8)	0.3188 (5)	0.2216 (5)	0.0501 (15)
H15W	0.6299	0.2925	0.1884	0.075*
H16W	0.4733	0.3952	0.2051	0.075*
O9W	0.4165 (9)	0.5583 (5)	0.1328 (5)	0.0547 (16)
H17W	0.5089	0.5965	0.1059	0.082*
H18W	0.3098	0.5902	0.1038	0.082*
O10W	0.2113 (8)	0.7246 (5)	0.2679 (4)	0.0452 (14)
H20W	0.0877	0.7635	0.2566	0.068*
H19W	0.2901	0.7741	0.2624	0.068*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Co2	0.0367 (6)	0.0223 (5)	0.0290 (5)	−0.0043 (4)	−0.0046 (4)	−0.0024 (4)
O1	0.047 (3)	0.024 (3)	0.040 (3)	−0.007 (2)	−0.002 (3)	−0.001 (2)
O2	0.049 (3)	0.027 (3)	0.041 (3)	0.002 (3)	0.000 (3)	−0.007 (2)
O3	0.039 (3)	0.044 (3)	0.033 (3)	−0.008 (3)	−0.001 (2)	0.009 (3)
O4	0.037 (3)	0.049 (3)	0.038 (3)	−0.010 (3)	−0.014 (2)	0.011 (3)
N1	0.038 (3)	0.022 (3)	0.025 (3)	−0.003 (3)	−0.005 (3)	−0.002 (3)
N2	0.049 (4)	0.029 (3)	0.020 (3)	−0.004 (3)	0.000 (3)	0.000 (3)
C1	0.032 (4)	0.014 (3)	0.033 (4)	0.000 (3)	−0.006 (3)	−0.004 (3)
C2	0.033 (4)	0.018 (4)	0.029 (4)	−0.006 (3)	−0.011 (3)	0.004 (3)
C3	0.040 (4)	0.025 (4)	0.023 (4)	−0.006 (3)	−0.006 (3)	−0.005 (3)
C4	0.032 (4)	0.009 (3)	0.032 (4)	0.002 (3)	−0.003 (3)	−0.003 (3)
C5	0.042 (4)	0.017 (3)	0.016 (3)	−0.004 (3)	−0.004 (3)	0.000 (3)
C6	0.044 (4)	0.028 (4)	0.026 (4)	−0.008 (3)	−0.003 (3)	−0.008 (3)
C7	0.034 (4)	0.026 (4)	0.034 (4)	0.001 (3)	−0.010 (3)	−0.002 (3)
C8	0.037 (4)	0.026 (4)	0.033 (4)	−0.008 (3)	−0.008 (3)	−0.006 (3)
C9	0.042 (4)	0.018 (4)	0.030 (4)	0.000 (3)	−0.004 (3)	0.000 (3)
O1W	0.042 (3)	0.032 (3)	0.035 (3)	−0.011 (2)	−0.007 (2)	0.002 (2)
O2W	0.042 (3)	0.034 (3)	0.030 (3)	−0.013 (2)	−0.008 (2)	0.002 (2)
O3W	0.080 (4)	0.029 (3)	0.042 (3)	−0.007 (3)	0.004 (3)	−0.009 (3)
O4W	0.047 (3)	0.025 (3)	0.039 (3)	−0.009 (2)	−0.005 (2)	−0.006 (2)
O5W	0.043 (3)	0.021 (3)	0.050 (3)	0.004 (2)	−0.014 (3)	−0.006 (2)
O6W	0.038 (3)	0.034 (3)	0.043 (3)	0.002 (2)	−0.007 (2)	−0.005 (3)
O7W	0.055 (4)	0.045 (3)	0.042 (3)	−0.006 (3)	−0.007 (3)	−0.013 (3)
O8W	0.050 (3)	0.039 (3)	0.061 (4)	−0.008 (3)	−0.012 (3)	−0.006 (3)
O9W	0.044 (3)	0.045 (4)	0.070 (4)	−0.010 (3)	−0.009 (3)	0.001 (3)
O10W	0.049 (3)	0.048 (4)	0.040 (3)	−0.015 (3)	−0.010 (3)	−0.001 (3)

Geometric parameters (Å, º) top

Co2—O3W	2.068 (5)	C5—C6	1.384 (9)
Co2—O5W	2.082 (5)	C6—H6	0.9300
Co2—N1	2.096 (6)	C9—H9	0.9300
Co2—O1W	2.104 (5)	O1W—H1W	0.8400
Co2—O2W	2.109 (5)	O1W—H2W	0.8401
Co2—O4W	2.141 (5)	O2W—H4W	0.8400
O1—C7	1.250 (8)	O2W—H3W	0.8400
O2—C7	1.259 (9)	O3W—H5W	0.8400
O3—C8	1.255 (8)	O3W—H6W	0.8400
O4—C8	1.239 (8)	O4W—H7W	0.8401
N1—C9	1.328 (9)	O4W—H8W	0.8401
N1—C4	1.401 (8)	O5W—H9W	0.8400
N2—C9	1.330 (9)	O5W—H10W	0.8400
N2—C5	1.380 (8)	O6W—H12W	0.8400
N2—H2	0.8600	O6W—H11W	0.8400
C1—C6	1.383 (9)	O7W—H13W	0.8400
C1—C2	1.419 (10)	O7W—H14W	0.8400
C1—C7	1.503 (9)	O8W—H15W	0.8400
C2—C3	1.376 (9)	O8W—H16W	0.8400
C2—C8	1.522 (9)	O9W—H17W	0.8400
C3—C4	1.394 (9)	O9W—H18W	0.8400
C3—H3	0.9300	O10W—H20W	0.8708
C4—C5	1.392 (9)	O10W—H19W	0.8660

O3W—Co2—O5W	88.5 (2)	N2—C5—C4	105.4 (6)
O3W—Co2—N1	175.5 (2)	C6—C5—C4	122.0 (6)
O5W—Co2—N1	87.0 (2)	C1—C6—C5	117.9 (6)
O3W—Co2—O1W	90.5 (2)	C1—C6—H6	121.0
O5W—Co2—O1W	177.2 (2)	C5—C6—H6	121.0
N1—Co2—O1W	94.1 (2)	O1—C7—O2	124.7 (7)
O3W—Co2—O2W	86.2 (2)	O1—C7—C1	117.8 (6)
O5W—Co2—O2W	93.4 (2)	O2—C7—C1	117.3 (6)
N1—Co2—O2W	94.0 (2)	O4—C8—O3	125.3 (7)
O1W—Co2—O2W	89.15 (19)	O4—C8—C2	117.0 (6)
O3W—Co2—O4W	90.0 (2)	O3—C8—C2	117.5 (6)
O5W—Co2—O4W	89.0 (2)	N1—C9—N2	113.4 (6)
N1—Co2—O4W	90.0 (2)	N1—C9—H9	123.3
O1W—Co2—O4W	88.33 (19)	N2—C9—H9	123.3
O2W—Co2—O4W	175.4 (2)	Co2—O1W—H1W	119.1
C9—N1—C4	104.2 (6)	Co2—O1W—H2W	115.2
C9—N1—Co2	122.8 (5)	H1W—O1W—H2W	111.5
C4—N1—Co2	132.5 (4)	Co2—O2W—H4W	110.6
C9—N2—C5	107.7 (6)	Co2—O2W—H3W	120.7
C9—N2—H2	126.2	H4W—O2W—H3W	111.6
C5—N2—H2	126.2	Co2—O3W—H5W	123.9
C6—C1—C2	120.1 (6)	Co2—O3W—H6W	122.3
C6—C1—C7	119.0 (6)	H5W—O3W—H6W	112.1
C2—C1—C7	120.8 (6)	Co2—O4W—H7W	101.5
C3—C2—C1	121.6 (6)	Co2—O4W—H8W	116.2
C3—C2—C8	117.0 (6)	H7W—O4W—H8W	110.5
C1—C2—C8	121.3 (6)	Co2—O5W—H9W	102.5
C2—C3—C4	117.8 (6)	Co2—O5W—H10W	123.2
C2—C3—H3	121.1	H9W—O5W—H10W	111.2
C4—C3—H3	121.1	H12W—O6W—H11W	111.4
C5—C4—C3	120.5 (6)	H13W—O7W—H14W	111.5
C5—C4—N1	109.3 (6)	H15W—O8W—H16W	111.6
C3—C4—N1	130.2 (6)	H17W—O9W—H18W	111.6
N2—C5—C6	132.6 (6)	H20W—O10W—H19W	112.0

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
N2—H2···O10Wⁱ	0.86	1.99	2.822 (8)	162
O1W—H1W···O3ⁱⁱ	0.84	1.78	2.603 (7)	169
O1W—H2W···O6Wⁱⁱⁱ	0.84	1.95	2.789 (9)	175
O2W—H4W···O8W	0.84	1.90	2.726 (9)	165
O2W—H3W···O4ⁱⁱ	0.84	1.78	2.614 (7)	173
O3W—H5W···O10W^iv	0.84	1.93	2.752 (8)	167
O3W—H6W···O6W^v	0.84	1.92	2.758 (8)	177
O4W—H7W···O7Wⁱⁱⁱ	0.84	2.05	2.827 (7)	154
O4W—H8W···O1^iv	0.84	1.96	2.801 (8)	176
O5W—H9W···O7W	0.84	1.92	2.734 (9)	162
O5W—H10W···O2^vi	0.84	1.88	2.700 (7)	164
O6W—H12W···O1^vi	0.84	1.98	2.812 (6)	171
O6W—H11W···O2W	0.84	2.06	2.865 (6)	161
O7W—H13W···O8W	0.84	1.89	2.721 (8)	168
O7W—H14W···O2ⁱ	0.84	1.91	2.737 (8)	168
O8W—H15W···O1W^vii	0.84	2.05	2.860 (7)	163
O8W—H16W···O9W	0.84	1.88	2.699 (7)	166
O9W—H17W···O4^vii	0.84	1.93	2.766 (9)	172
O9W—H18W···O3	0.84	1.93	2.771 (8)	175
O10W—H20W···O1	0.87	1.89	2.747 (7)	168
O10W—H19W···O2^vii	0.87	2.54	3.191 (9)	133

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

Experimental details

Crystal data
Chemical formula	[Co(C₉H₄N₂O₄)(H₂O)₅]·5H₂O
M_r	443.23
Crystal system, space group	Triclinic, P1
Temperature (K)	293
a, b, c (Å)	6.8454 (14), 11.480 (2), 12.408 (3)
α, β, γ (°)	78.02 (3), 78.57 (3), 74.80 (3)
V (Å³)	909.7 (4)
Z	2
Radiation type	Mo Kα
µ (mm⁻¹)	1.02
Crystal size (mm)	0.31 × 0.26 × 0.21

Data collection
Diffractometer	Rigaku/MSC Mercury CCD diffractometer
Absorption correction	Multi-scan (REQAB; Jacobson, 1998)
T_min, T_max	0.744, 0.815
No. of measured, independent and observed [I > 2σ(I)] reflections	7307, 3269, 2010
R_int	0.050
(sin θ/λ)_max (Å⁻¹)	0.599

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.048, 0.148, 1.19
No. of reflections	3269
No. of parameters	235
No. of restraints	30
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	0.85, −1.00

Computer programs: RAPID-AUTO (Rigaku, 1998), CrystalStructure (Rigaku/MSC, 2002), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), ORTEPII (Johnson, 1976).

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
N2—H2···O10Wⁱ	0.86	1.99	2.822 (8)	162.0
O1W—H1W···O3ⁱⁱ	0.84	1.78	2.603 (7)	168.6
O1W—H2W···O6Wⁱⁱⁱ	0.84	1.95	2.789 (9)	175.3
O2W—H4W···O8W	0.84	1.90	2.726 (9)	165.2
O2W—H3W···O4ⁱⁱ	0.84	1.78	2.614 (7)	172.7
O3W—H5W···O10W^iv	0.84	1.93	2.752 (8)	167.2
O3W—H6W···O6W^v	0.84	1.92	2.758 (8)	176.6
O4W—H7W···O7Wⁱⁱⁱ	0.84	2.05	2.827 (7)	154.0
O4W—H8W···O1^iv	0.84	1.96	2.801 (8)	176.3
O5W—H9W···O7W	0.84	1.92	2.734 (9)	161.9
O5W—H10W···O2^vi	0.84	1.88	2.700 (7)	163.6
O6W—H12W···O1^vi	0.84	1.98	2.812 (6)	170.6
O6W—H11W···O2W	0.84	2.06	2.865 (6)	160.6
O7W—H13W···O8W	0.84	1.89	2.721 (8)	167.5
O7W—H14W···O2ⁱ	0.84	1.91	2.737 (8)	168.2
O8W—H15W···O1W^vii	0.84	2.05	2.860 (7)	163.0
O8W—H16W···O9W	0.84	1.88	2.699 (7)	165.9
O9W—H17W···O4^vii	0.84	1.93	2.766 (9)	172.0
O9W—H18W···O3	0.84	1.93	2.771 (8)	174.8
O10W—H20W···O1	0.874	1.89	2.747 (7)	167.8
O10W—H19W···O2^vii	0.87	2.54	3.191 (9)	132.8

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

Acknowledgements

The authors acknowledge Guang Dong Ocean University for support of this work.

References

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