Poly[di-μ2-acetato-diaquabis(2,2′-bi­pyridine)bis(μ3-5-nitroisophthalato)tricobalt(II)]

Wang, H.-D.; Li, M.-M.; He, H.-Y.

doi:10.1107/S1600536809012562

metal-organic compounds

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ISSN: 2056-9890

Volume 65| Part 5| May 2009| Page m510

doi:10.1107/S1600536809012562

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Poly[di-μ₂-acetato-diaquabis(2,2′-bipyridine)bis(μ₃-5-nitroisophthalato)tricobalt(II)]

Hai-Dong Wang,^a Min-Min Li ^a and Hong-Yin He ^a ^*

^aBiological and Chemical Engineering School of Jiaxing University, Jiaxing 314001, People's Republic of China
^*Correspondence e-mail: hhy123@163.com

(Received 1 April 2009; accepted 3 April 2009; online 10 April 2009)

The title complex, [Co₃(C₈H₃NO₆)₂(C₂H₃O₂)₂(C₁₀H₈N₂)₂(H₂O)₂], was synthesized under hydrothermal conditions. The structure features a centrosymmetric complex with three Co^II centres, one of which is located on a centre of inversion. The Co centres are coordinated in a distorted octahedral geometry. The bipyridine ligands are bonded to just one Co centre in a chelating mode, whereas the 5-nitroisophthalate and acetate ions are bonded to two different Co atoms. The crystal structure is stabilized by O—H⋯O hydrogen bonds.

Related literature

For related structures, see: He et al. (2004 , 2005 ); Zhang et al. (2006 ).

Experimental

Crystal data

[Co₃(C₈H₃NO₆)₂(C₂H₃O₂)₂(C₁₀H₈N₂)₂(H₂O)₂]
M_r = 1061.51
Triclinic, $[P \overline 1]$
a = 10.0084 (1) Å
b = 10.0781 (1) Å
c = 11.3941 (1) Å
α = 81.196 (1)°
β = 67.685 (1)°
γ = 69.472 (1)°
V = 995.43 (2) Å³
Z = 1
Mo Kα radiation
μ = 1.33 mm⁻¹
T = 296 K
0.26 × 0.13 × 0.10 mm

Data collection

Bruker SMART 1K CCD diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2002 ) T_min = 0.724, T_max = 0.883
10424 measured reflections
3679 independent reflections
3296 reflections with I > 2σ(I)
R_int = 0.020

Refinement

R[F² > 2σ(F²)] = 0.030
wR(F²) = 0.077
S = 1.03
3679 reflections
310 parameters
3 restraints
H atoms treated by a mixture of independent and constrained refinement
Δρ_max = 0.53 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
O1W—H1WA⋯O3ⁱ	0.83 (2)	1.99 (2)	2.755 (3)	154 (2)
O1W—H1WB⋯O3ⁱⁱ	0.826 (18)	1.96 (2)	2.762 (3)	163 (3)
Symmetry codes: (i) x-1, y, z; (ii) -x+1, -y+1, -z+1.

Data collection: SMART (Bruker, 2002); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997 ); software used to prepare material for publication: PLATON (Spek, 2009 ).

Supporting information

Crystal structure: contains datablocks I, added_by_encifer. DOI: 10.1107/S1600536809012562/bt2923sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536809012562/bt2923Isup2.hkl

checkCIF report

Comment top

Recently, we were interested in polymers formed by isophthalate ligands and the complexes the form with transition metals because of their diverse topologies and potential applications as functional materials (He et al., 2004, 2005, Zhang et al., 2006).

The structure features a centrosymmetric complex with three Co(II) centres, one of which is located on a centre of inversion. The Co centres are coordinated in a distorted octahedral geometry. The bipyridine ligands are bonded to just one Co centre in a chelating mode, whereas the 5-nitroisophthalate and acetate ions are bonded to two different Co atoms. The crystal structure is stabilized by O-H···O hydrogen bonds (Tab. 1).

Related literature top

For related structures, see: He et al. (2004, 2005); Zhang et al. (2006).

Experimental top

A mixture of Co(Ac)₂.4H₂O (0.1240g, 0.5 mmol), 2,2'-bipyridine (0.0790g, 0.5 mmol), 5-nitroisophthalic acid (0.1050g, 0.5mmol), 8 ml H₂O and 8ml EtOH was heated at 413 K for three days in a 20 ml Teflon-lined stainless-steel autoclave. After cooling, a red plate shaped crystals of the title compound were obstained.

Computing details top

Data collection: SMART (Bruker, 2002); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT (Bruker, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: PLATON (Spek, 2009).

Figures top

Fig. 1. View of the title complex view. Displacement ellipsoids are drawn at the 30% probability level. H atoms are omitted for clarity. Symmetry codes for generating equivalent atoms: (v) x-1, y, z. (vi) x, -y, 1-z. (vii) 1-x, 2-y, 1-z.

Poly[di-µ₂-acetato-diaquabis(2,2'-bipyridine)bis(µ₃-5-nitroisophthalato)tricobalt(II)] top

Crystal data top

[Co₃(C₈H₃NO₆)₂(C₂H₃O₂)₂(C₁₀H₈N₂)₂(H₂O)₂]	Z = 1
M_r = 1061.51	F(000) = 539
Triclinic, P1	D_x = 1.771 Mg m⁻³
a = 10.0084 (1) Å	Mo Kα radiation, λ = 0.71073 Å
b = 10.0781 (1) Å	Cell parameters from 10424 reflections
c = 11.3941 (1) Å	θ = 1.9–25.5°
α = 81.196 (1)°	µ = 1.33 mm⁻¹
β = 67.685 (1)°	T = 296 K
γ = 69.472 (1)°	Plate, red
V = 995.43 (2) Å³	0.26 × 0.13 × 0.10 mm

Data collection top

Bruker SMART 1K CCD diffractometer	3679 independent reflections
Radiation source: fine-focus sealed tube	3296 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.020
phi/ω scans	θ_max = 25.5°, θ_min = 1.9°
Absorption correction: multi-scan (SADABS; Bruker, 2002)	h = −12→12
T_min = 0.724, T_max = 0.883	k = −12→12
10424 measured reflections	l = −13→13

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)] = 0.030	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.077	H atoms treated by a mixture of independent and constrained refinement
S = 1.03	w = 1/[σ²(F_o²) + (0.0358P)² + 1.058P] where P = (F_o² + 2F_c²)/3
3679 reflections	(Δ/σ)_max < 0.001
310 parameters	Δρ_max = 0.53 e Å⁻³
3 restraints	Δρ_min = −0.45 e Å⁻³

Crystal data top

[Co₃(C₈H₃NO₆)₂(C₂H₃O₂)₂(C₁₀H₈N₂)₂(H₂O)₂]	γ = 69.472 (1)°
M_r = 1061.51	V = 995.43 (2) Å³
Triclinic, P1	Z = 1
a = 10.0084 (1) Å	Mo Kα radiation
b = 10.0781 (1) Å	µ = 1.33 mm⁻¹
c = 11.3941 (1) Å	T = 296 K
α = 81.196 (1)°	0.26 × 0.13 × 0.10 mm
β = 67.685 (1)°

Data collection top

Bruker SMART 1K CCD diffractometer	3679 independent reflections
Absorption correction: multi-scan (SADABS; Bruker, 2002)	3296 reflections with I > 2σ(I)
T_min = 0.724, T_max = 0.883	R_int = 0.020
10424 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.030	3 restraints
wR(F²) = 0.077	H atoms treated by a mixture of independent and constrained refinement
S = 1.03	Δρ_max = 0.53 e Å⁻³
3679 reflections	Δρ_min = −0.45 e Å⁻³
310 parameters

Special details top

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds 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 > 2sigma(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	0.0000	1.0000	0.5000	0.02056 (11)
Co2	0.29863 (3)	0.66172 (3)	0.34001 (3)	0.02348 (10)
N1	0.5014 (2)	0.4947 (2)	0.26205 (19)	0.0264 (4)
N2	0.2395 (2)	0.5533 (2)	0.23098 (19)	0.0271 (4)
C6	0.3533 (3)	0.4463 (2)	0.1610 (2)	0.0259 (5)
O1	0.38924 (18)	0.74188 (17)	0.43457 (16)	0.0283 (4)
O9	0.10814 (18)	0.86327 (17)	0.34394 (15)	0.0263 (4)
C11	0.5544 (3)	0.8074 (2)	0.5603 (2)	0.0218 (5)
H11A	0.6088	0.7353	0.5017	0.026*
C17	0.3124 (3)	0.8272 (2)	0.5243 (2)	0.0233 (5)
C16	0.3980 (3)	0.8686 (2)	0.5891 (2)	0.0219 (5)
C19	0.8024 (3)	0.7950 (3)	0.5801 (2)	0.0269 (5)
C12	0.6310 (3)	0.8526 (2)	0.6180 (2)	0.0233 (5)
O3	0.8695 (2)	0.67757 (19)	0.5289 (2)	0.0414 (5)
C5	0.5033 (3)	0.4180 (2)	0.1738 (2)	0.0256 (5)
C4	0.6363 (3)	0.3199 (3)	0.1018 (2)	0.0337 (6)
H4A	0.6361	0.2703	0.0395	0.040*
C14	0.3935 (3)	1.0141 (2)	0.7364 (2)	0.0273 (5)
C13	0.5491 (3)	0.9578 (3)	0.7079 (2)	0.0272 (5)
H13A	0.5977	0.9894	0.7478	0.033*
C15	0.3160 (3)	0.9740 (2)	0.6786 (2)	0.0262 (5)
H15A	0.2114	1.0163	0.6989	0.031*
C9	0.0689 (3)	0.5133 (3)	0.1519 (3)	0.0382 (6)
H9A	−0.0288	0.5389	0.1495	0.046*
C7	0.3293 (3)	0.3687 (3)	0.0849 (3)	0.0352 (6)
H7A	0.4092	0.2951	0.0369	0.042*
C10	0.1008 (3)	0.5858 (3)	0.2260 (3)	0.0328 (6)
H10A	0.0225	0.6601	0.2742	0.039*
C1	0.6309 (3)	0.4698 (3)	0.2832 (3)	0.0327 (6)
H1A	0.6295	0.5217	0.3447	0.039*
C8	0.1844 (3)	0.4028 (3)	0.0818 (3)	0.0406 (7)
H8A	0.1652	0.3512	0.0324	0.049*
C2	0.7661 (3)	0.3707 (3)	0.2180 (3)	0.0379 (6)
H2A	0.8533	0.3539	0.2369	0.046*
N3	0.3069 (3)	1.1250 (3)	0.8321 (2)	0.0462 (6)
C3	0.7690 (3)	0.2970 (3)	0.1241 (3)	0.0392 (6)
H3A	0.8598	0.2323	0.0761	0.047*
O6	0.1710 (3)	1.1769 (3)	0.8577 (3)	0.0776 (9)
O2	0.17072 (18)	0.88101 (19)	0.56665 (16)	0.0318 (4)
O4	0.8652 (2)	0.8704 (2)	0.60355 (17)	0.0369 (4)
O5	0.3732 (3)	1.1514 (4)	0.8890 (3)	0.1161 (15)
O1W	0.17349 (19)	0.56964 (19)	0.50084 (18)	0.0318 (4)
H1WA	0.0831 (15)	0.620 (2)	0.523 (3)	0.048*
H1WB	0.180 (3)	0.4895 (15)	0.486 (3)	0.048*
O8	0.31763 (19)	0.80788 (18)	0.17845 (16)	0.0334 (4)
C32	0.1871 (3)	0.8911 (2)	0.2305 (2)	0.0263 (5)
C33	0.1213 (4)	1.0190 (3)	0.1602 (3)	0.0468 (7)
H33A	0.1949	1.0239	0.0772	0.070*
H33B	0.0952	1.1025	0.2056	0.070*
H33C	0.0314	1.0129	0.1524	0.070*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Co1	0.0155 (2)	0.0220 (2)	0.0263 (2)	−0.00532 (16)	−0.00810 (17)	−0.00619 (17)
Co2	0.02330 (17)	0.02240 (17)	0.02775 (18)	−0.00702 (13)	−0.01024 (13)	−0.00655 (13)
N1	0.0258 (10)	0.0226 (10)	0.0315 (11)	−0.0068 (8)	−0.0108 (8)	−0.0030 (8)
N2	0.0270 (10)	0.0274 (10)	0.0295 (11)	−0.0090 (8)	−0.0106 (9)	−0.0057 (8)
C6	0.0327 (13)	0.0215 (11)	0.0249 (12)	−0.0087 (10)	−0.0114 (10)	−0.0010 (9)
O1	0.0230 (8)	0.0311 (9)	0.0350 (9)	−0.0075 (7)	−0.0115 (7)	−0.0123 (7)
O9	0.0279 (9)	0.0240 (8)	0.0270 (9)	−0.0078 (7)	−0.0085 (7)	−0.0052 (7)
C11	0.0251 (11)	0.0195 (11)	0.0236 (11)	−0.0089 (9)	−0.0092 (9)	−0.0022 (9)
C17	0.0251 (12)	0.0214 (11)	0.0255 (12)	−0.0074 (9)	−0.0121 (9)	0.0016 (9)
C16	0.0243 (11)	0.0212 (11)	0.0221 (11)	−0.0085 (9)	−0.0093 (9)	−0.0001 (9)
C19	0.0258 (12)	0.0310 (13)	0.0279 (12)	−0.0145 (10)	−0.0099 (10)	0.0027 (10)
C12	0.0256 (12)	0.0219 (11)	0.0256 (11)	−0.0115 (9)	−0.0099 (9)	0.0020 (9)
O3	0.0261 (9)	0.0334 (10)	0.0636 (13)	−0.0083 (8)	−0.0114 (9)	−0.0124 (9)
C5	0.0301 (12)	0.0213 (11)	0.0248 (12)	−0.0083 (10)	−0.0093 (10)	0.0005 (9)
C4	0.0369 (14)	0.0273 (13)	0.0303 (13)	−0.0046 (11)	−0.0087 (11)	−0.0040 (10)
C14	0.0327 (13)	0.0255 (12)	0.0241 (12)	−0.0113 (10)	−0.0063 (10)	−0.0070 (10)
C13	0.0337 (13)	0.0317 (13)	0.0246 (12)	−0.0182 (11)	−0.0113 (10)	−0.0029 (10)
C15	0.0239 (12)	0.0250 (12)	0.0274 (12)	−0.0058 (9)	−0.0073 (9)	−0.0040 (10)
C9	0.0380 (15)	0.0400 (15)	0.0478 (16)	−0.0155 (12)	−0.0235 (13)	−0.0031 (13)
C7	0.0434 (15)	0.0287 (13)	0.0365 (14)	−0.0074 (11)	−0.0180 (12)	−0.0090 (11)
C10	0.0288 (13)	0.0325 (13)	0.0387 (14)	−0.0082 (11)	−0.0117 (11)	−0.0098 (11)
C1	0.0318 (13)	0.0284 (13)	0.0433 (15)	−0.0104 (11)	−0.0180 (11)	−0.0015 (11)
C8	0.0552 (18)	0.0359 (15)	0.0451 (16)	−0.0165 (13)	−0.0280 (14)	−0.0090 (12)
C2	0.0274 (13)	0.0329 (14)	0.0530 (17)	−0.0102 (11)	−0.0160 (12)	0.0063 (13)
N3	0.0444 (15)	0.0481 (14)	0.0441 (14)	−0.0132 (12)	−0.0057 (11)	−0.0256 (12)
C3	0.0300 (14)	0.0309 (14)	0.0419 (15)	−0.0007 (11)	−0.0053 (12)	−0.0006 (12)
O6	0.0595 (16)	0.0778 (18)	0.0809 (18)	0.0265 (13)	−0.0342 (14)	−0.0527 (15)
O2	0.0200 (8)	0.0421 (10)	0.0341 (9)	−0.0035 (7)	−0.0137 (7)	−0.0073 (8)
O4	0.0339 (10)	0.0497 (11)	0.0392 (10)	−0.0286 (9)	−0.0109 (8)	−0.0037 (9)
O5	0.0539 (16)	0.176 (3)	0.130 (3)	−0.0378 (19)	0.0024 (16)	−0.128 (3)
O1W	0.0276 (9)	0.0288 (9)	0.0382 (10)	−0.0091 (7)	−0.0093 (8)	−0.0044 (8)
O8	0.0297 (9)	0.0333 (9)	0.0322 (9)	−0.0078 (8)	−0.0055 (8)	−0.0059 (8)
C32	0.0309 (13)	0.0255 (12)	0.0277 (12)	−0.0107 (10)	−0.0125 (10)	−0.0058 (10)
C33	0.0542 (18)	0.0416 (16)	0.0379 (16)	−0.0079 (14)	−0.0182 (14)	0.0054 (13)

Geometric parameters (Å, º) top

Co1—O2	2.0503 (16)	C5—C4	1.384 (3)
Co1—O2ⁱ	2.0503 (16)	C4—C3	1.381 (4)
Co1—O9ⁱ	2.1153 (15)	C4—H4A	0.9300
Co1—O9	2.1153 (15)	C14—C15	1.375 (3)
Co1—O4ⁱⁱ	2.1154 (17)	C14—C13	1.380 (4)
Co1—O4ⁱⁱⁱ	2.1154 (17)	C14—N3	1.471 (3)
Co2—O1	2.0392 (15)	C13—H13A	0.9300
Co2—O1W	2.0831 (18)	C15—H15A	0.9300
Co2—N1	2.1053 (19)	C9—C8	1.372 (4)
Co2—N2	2.1249 (19)	C9—C10	1.380 (4)
Co2—O8	2.1668 (18)	C9—H9A	0.9300
Co2—O9	2.2382 (16)	C7—C8	1.382 (4)
N1—C1	1.338 (3)	C7—H7A	0.9300
N1—C5	1.350 (3)	C10—H10A	0.9300
N2—C10	1.331 (3)	C1—C2	1.377 (4)
N2—C6	1.345 (3)	C1—H1A	0.9300
C6—C7	1.385 (3)	C8—H8A	0.9300
C6—C5	1.487 (3)	C2—C3	1.380 (4)
O1—C17	1.259 (3)	C2—H2A	0.9300
O9—C32	1.281 (3)	N3—O5	1.199 (3)
C11—C16	1.391 (3)	N3—O6	1.206 (3)
C11—C12	1.395 (3)	C3—H3A	0.9300
C11—H11A	0.9300	O4—Co1^iv	2.1154 (17)
C17—O2	1.248 (3)	O1W—H1WA	0.826 (10)
C17—C16	1.508 (3)	O1W—H1WB	0.824 (10)
C16—C15	1.388 (3)	O8—C32	1.248 (3)
C19—O3	1.244 (3)	C32—C33	1.493 (4)
C19—O4	1.252 (3)	C33—H33A	0.9600
C19—C12	1.510 (3)	C33—H33B	0.9600
C12—C13	1.390 (3)	C33—H33C	0.9600

O2—Co1—O2ⁱ	180.0	C13—C12—C19	119.0 (2)
O2—Co1—O9ⁱ	92.58 (6)	C11—C12—C19	121.4 (2)
O2ⁱ—Co1—O9ⁱ	87.42 (6)	N1—C5—C4	121.7 (2)
O2—Co1—O9	87.42 (6)	N1—C5—C6	115.1 (2)
O2ⁱ—Co1—O9	92.58 (6)	C4—C5—C6	123.2 (2)
O9ⁱ—Co1—O9	180.000 (1)	C3—C4—C5	119.0 (2)
O2—Co1—O4ⁱⁱ	90.67 (7)	C3—C4—H4A	120.5
O2ⁱ—Co1—O4ⁱⁱ	89.33 (7)	C5—C4—H4A	120.5
O9ⁱ—Co1—O4ⁱⁱ	88.72 (7)	C15—C14—C13	123.5 (2)
O9—Co1—O4ⁱⁱ	91.28 (7)	C15—C14—N3	118.4 (2)
O2—Co1—O4ⁱⁱⁱ	89.33 (7)	C13—C14—N3	118.1 (2)
O2ⁱ—Co1—O4ⁱⁱⁱ	90.67 (7)	C14—C13—C12	118.1 (2)
O9ⁱ—Co1—O4ⁱⁱⁱ	91.28 (7)	C14—C13—H13A	120.9
O9—Co1—O4ⁱⁱⁱ	88.72 (7)	C12—C13—H13A	120.9
O4ⁱⁱ—Co1—O4ⁱⁱⁱ	180.0	C14—C15—C16	118.3 (2)
O1—Co2—O1W	94.98 (7)	C14—C15—H15A	120.9
O1—Co2—N1	94.01 (7)	C16—C15—H15A	120.9
O1W—Co2—N1	103.72 (7)	C8—C9—C10	118.6 (2)
O1—Co2—N2	170.78 (7)	C8—C9—H9A	120.7
O1W—Co2—N2	87.41 (7)	C10—C9—H9A	120.7
N1—Co2—N2	76.77 (7)	C8—C7—C6	118.7 (2)
O1—Co2—O8	98.32 (7)	C8—C7—H7A	120.7
O1W—Co2—O8	152.53 (7)	C6—C7—H7A	120.7
N1—Co2—O8	99.22 (7)	N2—C10—C9	122.5 (2)
N2—Co2—O8	83.29 (7)	N2—C10—H10A	118.8
O1—Co2—O9	94.50 (6)	C9—C10—H10A	118.8
O1W—Co2—O9	95.80 (7)	N1—C1—C2	123.0 (2)
N1—Co2—O9	157.91 (7)	N1—C1—H1A	118.5
N2—Co2—O9	94.12 (7)	C2—C1—H1A	118.5
O8—Co2—O9	59.37 (6)	C9—C8—C7	119.6 (2)
C1—N1—C5	118.4 (2)	C9—C8—H8A	120.2
C1—N1—Co2	124.99 (16)	C7—C8—H8A	120.2
C5—N1—Co2	116.21 (15)	C1—C2—C3	118.4 (2)
C10—N2—C6	119.0 (2)	C1—C2—H2A	120.8
C10—N2—Co2	124.78 (16)	C3—C2—H2A	120.8
C6—N2—Co2	116.22 (15)	O5—N3—O6	122.5 (3)
N2—C6—C7	121.6 (2)	O5—N3—C14	117.9 (3)
N2—C6—C5	114.8 (2)	O6—N3—C14	119.3 (2)
C7—C6—C5	123.6 (2)	C2—C3—C4	119.5 (2)
C17—O1—Co2	124.66 (14)	C2—C3—H3A	120.3
C32—O9—Co1	126.76 (14)	C4—C3—H3A	120.3
C32—O9—Co2	88.61 (13)	C17—O2—Co1	138.15 (16)
Co1—O9—Co2	121.97 (8)	C19—O4—Co1^iv	137.23 (17)
C16—C11—C12	121.0 (2)	Co2—O1W—H1WA	109 (2)
C16—C11—H11A	119.5	Co2—O1W—H1WB	111 (2)
C12—C11—H11A	119.5	H1WA—O1W—H1WB	109 (2)
O2—C17—O1	126.4 (2)	C32—O8—Co2	92.74 (15)
O2—C17—C16	116.0 (2)	O8—C32—O9	119.2 (2)
O1—C17—C16	117.6 (2)	O8—C32—C33	120.5 (2)
C15—C16—C11	119.6 (2)	O9—C32—C33	120.2 (2)
C15—C16—C17	117.9 (2)	C32—C33—H33A	109.5
C11—C16—C17	122.5 (2)	C32—C33—H33B	109.5
O3—C19—O4	125.4 (2)	H33A—C33—H33B	109.5
O3—C19—C12	118.0 (2)	C32—C33—H33C	109.5
O4—C19—C12	116.6 (2)	H33A—C33—H33C	109.5
C13—C12—C11	119.5 (2)	H33B—C33—H33C	109.5

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

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H1WA···O3ⁱⁱ	0.83 (2)	1.99 (2)	2.755 (3)	154 (2)
O1W—H1WB···O3^v	0.83 (2)	1.96 (2)	2.762 (3)	163 (3)

Symmetry codes: (ii) x−1, y, z; (v) −x+1, −y+1, −z+1.

Experimental details

Crystal data
Chemical formula	[Co₃(C₈H₃NO₆)₂(C₂H₃O₂)₂(C₁₀H₈N₂)₂(H₂O)₂]
M_r	1061.51
Crystal system, space group	Triclinic, P1
Temperature (K)	296
a, b, c (Å)	10.0084 (1), 10.0781 (1), 11.3941 (1)
α, β, γ (°)	81.196 (1), 67.685 (1), 69.472 (1)
V (Å³)	995.43 (2)
Z	1
Radiation type	Mo Kα
µ (mm⁻¹)	1.33
Crystal size (mm)	0.26 × 0.13 × 0.10

Data collection
Diffractometer	Bruker SMART 1K CCD diffractometer
Absorption correction	Multi-scan (SADABS; Bruker, 2002)
T_min, T_max	0.724, 0.883
No. of measured, independent and observed [I > 2σ(I)] reflections	10424, 3679, 3296
R_int	0.020
(sin θ/λ)_max (Å⁻¹)	0.606

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.030, 0.077, 1.03
No. of reflections	3679
No. of parameters	310
No. of restraints	3
H-atom treatment	H atoms treated by a mixture of independent and constrained refinement
Δρ_max, Δρ_min (e Å⁻³)	0.53, −0.45

Computer programs: SMART (Bruker, 2002), SAINT (Bruker, 2002), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), ORTEP-3 for Windows (Farrugia, 1997), PLATON (Spek, 2009).

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H1WA···O3ⁱ	0.83 (2)	1.99 (2)	2.755 (3)	154 (2)
O1W—H1WB···O3ⁱⁱ	0.826 (18)	1.96 (2)	2.762 (3)	163 (3)

Symmetry codes: (i) x−1, y, z; (ii) −x+1, −y+1, −z+1.

References

Bruker (2002). SADABS, SAINT and SMART. Bruker AXS Inc., Madison, USA. Google Scholar
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565. CrossRef IUCr Journals Google Scholar
He, H.-Y., Zhou, Y.-L. & Zhu, L.-G. (2004). Acta Cryst. C60, m569–m571. Web of Science CSD CrossRef CAS IUCr Journals Google Scholar
He, H.-Y., Zhu, L.-G. & Ng, S. W. (2005). Acta Cryst. E61, m601–m602. Web of Science CSD CrossRef IUCr Journals Google Scholar
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. Web of Science CrossRef CAS IUCr Journals Google Scholar
Spek, A. L. (2009). Acta Cryst. D65, 148–155. Web of Science CrossRef CAS IUCr Journals Google Scholar
Zhang, Z., Zhou, Y.-L. & He, H.-Y. (2006). Acta Cryst. E62, m2591–m2593. Web of Science CSD CrossRef IUCr Journals Google Scholar

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