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Acta Cryst. (2007). E63, m1397-m1398    [ doi:10.1107/S1600536807017746 ]

Hexaaquacobalt(II) bis(5-benzoyl-2-methoxy-4-oxidobenzenesulfonato-[kappa]2O,O')bis(pyridine-[kappa]N)cobaltate(II) tetrahydrate

Y.-C. Liu, T. Yuan, Z.-F. Chen, H. Liang and Y. Zhang

Abstract top

The ionic title compound, [Co(H2O)6][Co(C14H10O6S)2(C5H5N)2]·4H2O, consists of octahedrally coordinated [Co(H2O)6]2+ and [Co(C14H10O6S)2(C5H5N)2]2- ions along with four solvent water molecules. Both ions lie on inversion sites. In the anion, two 5-benzoyl-2-methoxy-4-oxidobenzenesulfonate ligands chelate the Co atom; the pyridine ligands occupy trans positions. A three-dimensional network structure results from hydrogen bonding involving the aqua ligands, sulfonate groups and solvent water molecules.

Comment top

Although the crystal structure of guanidinium 5-benzoyl-4- hydroxybenznesulfonate (sulisobenzone) methanol solvate [C(NH2)3+.(C14H11O3)SO3-. CH3OH] (II) was first reported by Russell and Ward in 1996), there is no study on a metal derivative of the aion.

The title compound (I) consists of [Co(H2O)6]2+, [Co(C5H5N)2(C14H10O6S)2Co]2- and four lattice water molecules; the composition is related to [Co(H2O)6][Co(C7H3NO4)2].2H2O (III) (Shiu et al., 2004). The cation and anion lie on inversion sites. In (I), two cobalt atoms are octahedrally coordinated, with Co1 surrounded by two N atoms of two pyridine ligands, and four O atoms of two sulisobenzone ligands; the Co2 is ligated by six O atoms of water molecules (Fig. 1). The Co1—O bond lengths are shorter than those of (III). The geometric parameters of 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonate are comparable with those of (II) (Russell & Ward, 1996). The methoxyl group is oriented away from the sulfonate group so that the sulfonate group is sterically accessible for hydrogen bonding with cation and the lattice water donors.

The packing is governed by hydrogen bonds involving the aqua ligands, sulfonate groups and lattice water molecules (Fig.2 and Table 2) to give rise to a three-dimensional network motif.

Related literature top

For related literature, see: Russell & Ward (1996); Shiu et al. (2004).

Experimental top

Cobalt nitrate hydrate (0.2 mmol), 5-benzoyl-4-hydroxy-2-mehtoxybenzenesulfonic acid (0.2 mmol), ethanol (2 ml), H2O (2 ml) and pyridine (0.2 ml), were placed in a Pyrex tube (ca 20 cm). The tube was frozen with liquid N2, evacuated under vacuum, sealed with a torch and heated at 353 K for two days to give orange-red plate crystals (I), with a yield of 85%.

Refinement top

H atoms on C atoms were positioned geometrically and were treated as riding and refined isotropically, with C—H distances of 0.95 Å and Uiso(H) = 1.2eq(C). H atoms bound to water O were located in a difference map and refined isotropically with restraint of O—H = 0.82 Å.

Computing details top

Data collection: CrystalClear (Rigaku, 1999); cell refinement: CrystalClear; data reduction: CrystalStructure (Rigaku/MSC & Rigaku, 2000); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1997); software used to prepare material for publication: SHELXTL.

Figures top
[Figure 1] Fig. 1. The structure of compound (I) showing 50% probability displacement ellipsoids and the atom numbering scheme.
[Figure 2] Fig. 2. The packing diagram for compound (I) (dashed lines indicate hydrogen bonds).
Hexaaquacobalt(II) bis(5-benzoyl-2-methoxy-4-oxidobenzenesulfonato- κ2O,O')bis(pyridine-κN)cobaltate(II) tetrahydrate top
Crystal data top
[Co(H2O)6][Co(C14H10O6S)2(C5H5N)2]·4H2OF(000) = 1108
Mr = 1068.78Dx = 1.504 Mg m−3
Monoclinic, P21/cMo Kα radiation, λ = 0.71070 Å
Hall symbol: -p 2ybcCell parameters from 6940 reflections
a = 20.373 (3) Åθ = 3.0–25.3°
b = 7.1181 (9) ŵ = 0.87 mm−1
c = 17.497 (3) ÅT = 193 K
β = 111.514 (4)°Platelet, orange
V = 2360.5 (6) Å30.32 × 0.21 × 0.06 mm
Z = 2
Data collection top
Rigaku Mercury
diffractometer		4319 independent reflections
Radiation source: fine-focus sealed tube3462 reflections with I > 2σ(I)
graphiteRint = 0.058
Detector resolution: 7.31 pixels mm-1θmax = 25.3°, θmin = 3.1°
ω scansh = −23→24
Absorption correction: multi-scan
(Jacobson, 1998)		k = −8→8
Tmin = 0.768, Tmax = 0.950l = −20→21
22147 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)] = 0.051Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.103H atoms treated by a mixture of independent and constrained refinement
S = 1.14 w = 1/[σ2(Fo2) + (0.0304P)2 + 2.5747P]
where P = (Fo2 + 2Fc2)/3
4319 reflections(Δ/σ)max < 0.001
343 parametersΔρmax = 0.68 e Å−3
13 restraintsΔρmin = −0.38 e Å−3
Crystal data top
[Co(H2O)6][Co(C14H10O6S)2(C5H5N)2]·4H2OV = 2360.5 (6) Å3
Mr = 1068.78Z = 2
Monoclinic, P21/cMo Kα radiation
a = 20.373 (3) ŵ = 0.87 mm−1
b = 7.1181 (9) ÅT = 193 K
c = 17.497 (3) Å0.32 × 0.21 × 0.06 mm
β = 111.514 (4)°
Data collection top
Rigaku Mercury
diffractometer		4319 independent reflections
Absorption correction: multi-scan
(Jacobson, 1998)		3462 reflections with I > 2σ(I)
Tmin = 0.768, Tmax = 0.950Rint = 0.058
22147 measured reflectionsθmax = 25.3°
Refinement top
R[F2 > 2σ(F2)] = 0.051H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.103Δρmax = 0.68 e Å−3
S = 1.14Δρmin = −0.38 e Å−3
4319 reflectionsAbsolute structure: ?
343 parametersFlack parameter: ?
13 restraintsRogers parameter: ?
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
Co10.50000.50000.50000.02003 (16)
Co20.00000.50000.00000.02028 (16)
S10.12304 (4)0.49322 (11)0.41394 (4)0.01826 (18)
O10.42104 (11)0.6814 (3)0.48558 (13)0.0250 (5)
O20.42779 (11)0.3420 (3)0.40685 (13)0.0244 (5)
O30.19800 (11)0.8273 (3)0.49728 (14)0.0281 (5)
O40.11333 (11)0.4893 (3)0.49252 (12)0.0241 (5)
O50.11111 (11)0.3096 (3)0.37406 (13)0.0248 (5)
O60.08083 (11)0.6411 (3)0.36010 (13)0.0259 (5)
O7−0.04346 (13)0.4972 (4)0.09263 (15)0.0278 (5)
H7A−0.062 (2)0.402 (4)0.102 (3)0.056 (14)*
H7B−0.0636 (18)0.593 (3)0.098 (2)0.038 (12)*
O80.06503 (16)0.7105 (4)0.06326 (16)0.0422 (7)
H8A0.078 (2)0.726 (7)0.1136 (8)0.071 (16)*
H8B0.080 (2)0.796 (4)0.042 (2)0.053 (14)*
O90.07215 (14)0.3021 (4)0.06926 (16)0.0334 (6)
H9A0.071 (3)0.273 (7)0.1146 (16)0.084 (18)*
H9B0.080 (3)0.207 (4)0.047 (3)0.088 (19)*
O100.06752 (15)0.1624 (4)0.21393 (16)0.0382 (6)
H10A0.081 (2)0.232 (5)0.2539 (17)0.059 (15)*
H10B0.0248 (7)0.146 (7)0.200 (3)0.077 (18)*
O110.1141 (2)0.7821 (6)0.22309 (19)0.0633 (9)
H11A0.101 (4)0.892 (3)0.2191 (18)0.25 (5)*
H11B0.104 (4)0.724 (5)0.258 (2)0.14 (3)*
N10.53214 (13)0.6648 (4)0.41518 (16)0.0246 (6)
C10.35542 (16)0.6346 (4)0.46664 (18)0.0205 (7)
C20.31166 (16)0.7572 (5)0.49088 (19)0.0216 (7)
H20.33110.87030.51890.026*
C30.24190 (16)0.7166 (4)0.47481 (19)0.0217 (7)
C40.21184 (16)0.5472 (4)0.43321 (19)0.0198 (7)
C50.25249 (16)0.4312 (4)0.40683 (18)0.0199 (7)
H50.23170.32020.37790.024*
C60.32401 (15)0.4683 (4)0.42047 (18)0.0198 (7)
C70.36210 (16)0.3416 (4)0.38757 (18)0.0195 (7)
C80.32306 (15)0.1984 (5)0.32385 (18)0.0201 (7)
C90.34515 (17)0.0129 (5)0.3360 (2)0.0265 (7)
H9C0.3817−0.02360.38570.032*
C100.3137 (2)−0.1189 (5)0.2755 (2)0.0370 (9)
H100.3278−0.24670.28470.044*
C110.2619 (2)−0.0669 (6)0.2019 (2)0.0398 (10)
H110.2415−0.15750.16000.048*
C120.24051 (19)0.1172 (6)0.1902 (2)0.0348 (9)
H120.20500.15350.13970.042*
C130.26956 (17)0.2501 (5)0.25025 (19)0.0276 (8)
H130.25330.37630.24170.033*
C140.22528 (18)0.9989 (5)0.5402 (2)0.0344 (9)
H14A0.26630.97120.58990.052*
H14B0.18881.05990.55550.052*
H14C0.23941.08280.50460.052*
C150.52623 (18)0.8529 (5)0.4150 (2)0.0308 (8)
H150.50840.90890.45270.037*
C160.5445 (2)0.9684 (5)0.3632 (2)0.0377 (9)
H160.53871.10060.36450.045*
C170.5716 (2)0.8887 (6)0.3094 (2)0.0422 (10)
H170.58470.96490.27280.051*
C180.5793 (2)0.6978 (6)0.3096 (2)0.0397 (9)
H180.59870.63950.27380.048*
C190.55858 (18)0.5911 (5)0.3625 (2)0.0312 (8)
H190.56330.45850.36140.037*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Co10.0128 (3)0.0263 (3)0.0220 (3)−0.0002 (3)0.0076 (2)−0.0032 (3)
Co20.0220 (3)0.0177 (3)0.0250 (3)−0.0001 (3)0.0131 (3)0.0001 (3)
S10.0163 (4)0.0187 (4)0.0218 (4)−0.0006 (3)0.0093 (3)−0.0008 (3)
O10.0154 (11)0.0268 (13)0.0335 (13)−0.0009 (10)0.0100 (10)−0.0030 (10)
O20.0169 (12)0.0304 (13)0.0272 (12)0.0007 (10)0.0096 (10)−0.0061 (10)
O30.0200 (12)0.0248 (13)0.0423 (14)0.0001 (10)0.0147 (11)−0.0123 (11)
O40.0276 (12)0.0257 (12)0.0252 (11)−0.0012 (10)0.0168 (10)0.0003 (10)
O50.0243 (12)0.0232 (12)0.0299 (12)−0.0051 (10)0.0134 (10)−0.0072 (10)
O60.0212 (12)0.0258 (13)0.0294 (12)0.0039 (10)0.0077 (10)0.0027 (10)
O70.0351 (14)0.0200 (13)0.0384 (13)0.0014 (13)0.0253 (12)0.0017 (12)
O80.0600 (19)0.0413 (17)0.0288 (15)−0.0267 (15)0.0203 (14)−0.0054 (13)
O90.0402 (15)0.0336 (15)0.0313 (14)0.0141 (13)0.0190 (13)0.0047 (13)
O100.0318 (16)0.0519 (19)0.0294 (15)−0.0063 (14)0.0094 (13)−0.0052 (13)
O110.091 (3)0.064 (2)0.0414 (18)−0.018 (2)0.0311 (18)0.0007 (16)
N10.0212 (14)0.0286 (16)0.0254 (14)0.0004 (12)0.0101 (12)−0.0028 (13)
C10.0177 (16)0.0216 (17)0.0234 (16)−0.0011 (13)0.0092 (14)0.0019 (14)
C20.0188 (16)0.0198 (17)0.0267 (17)−0.0010 (13)0.0087 (14)−0.0043 (14)
C30.0201 (16)0.0210 (18)0.0274 (17)0.0035 (14)0.0128 (14)0.0000 (14)
C40.0159 (15)0.0196 (17)0.0254 (16)−0.0012 (13)0.0093 (14)0.0008 (13)
C50.0181 (16)0.0193 (16)0.0215 (16)0.0008 (13)0.0066 (14)−0.0008 (13)
C60.0150 (15)0.0236 (18)0.0204 (15)0.0007 (13)0.0061 (13)0.0000 (13)
C70.0186 (16)0.0210 (17)0.0202 (16)0.0026 (13)0.0088 (13)0.0038 (13)
C80.0171 (16)0.0263 (18)0.0208 (16)−0.0003 (14)0.0113 (14)−0.0009 (14)
C90.0245 (17)0.0262 (19)0.0278 (17)0.0015 (15)0.0086 (15)0.0022 (15)
C100.045 (2)0.024 (2)0.045 (2)−0.0031 (17)0.020 (2)−0.0050 (17)
C110.041 (2)0.039 (2)0.039 (2)−0.0124 (19)0.014 (2)−0.0161 (19)
C120.0287 (19)0.045 (2)0.0264 (19)−0.0027 (18)0.0049 (16)−0.0053 (17)
C130.0230 (18)0.0299 (19)0.0282 (18)0.0039 (15)0.0075 (15)−0.0001 (15)
C140.0285 (19)0.0266 (19)0.050 (2)0.0001 (17)0.0167 (17)−0.0184 (18)
C150.0291 (19)0.030 (2)0.0333 (19)0.0034 (16)0.0118 (16)−0.0031 (16)
C160.038 (2)0.029 (2)0.042 (2)−0.0036 (17)0.0113 (19)0.0038 (18)
C170.039 (2)0.050 (3)0.042 (2)−0.007 (2)0.0193 (19)0.012 (2)
C180.040 (2)0.049 (3)0.040 (2)−0.0003 (19)0.0261 (19)0.0011 (19)
C190.034 (2)0.031 (2)0.0322 (19)0.0018 (17)0.0172 (17)−0.0017 (16)
Geometric parameters (Å, °) top
Co1—O1i2.005 (2)C1—C61.443 (4)
Co1—O12.005 (2)C2—C31.375 (4)
Co1—O2i2.080 (2)C2—H20.9500
Co1—O22.080 (2)C3—C41.426 (4)
Co1—N1i2.173 (3)C4—C51.364 (4)
Co1—N12.173 (3)C5—C61.412 (4)
Co2—O72.113 (2)C5—H50.9500
Co2—O82.037 (3)C6—C71.440 (4)
Co2—O8ii2.037 (3)C7—C81.505 (4)
Co2—O92.075 (3)C8—C91.386 (5)
Co2—O9ii2.075 (3)C8—C131.397 (4)
Co2—O7ii2.113 (2)C9—C101.383 (5)
S1—O51.459 (2)C9—H9C0.9500
S1—O41.459 (2)C10—C111.382 (5)
S1—O61.463 (2)C10—H100.9500
S1—C41.757 (3)C11—C121.373 (5)
O1—C11.297 (4)C11—H110.9500
C7—O21.254 (4)C12—C131.376 (5)
O3—C31.354 (4)C12—H120.9500
O3—C141.435 (4)C13—H130.9500
O7—H7A0.82 (3)C14—H14A0.9800
O7—H7B0.82 (3)C14—H14B0.9800
O8—H8A0.829 (10)C14—H14C0.9800
O8—H8B0.83 (3)C15—C161.372 (5)
O9—H9A0.83 (3)C15—H150.9500
O9—H9B0.83 (4)C16—C171.376 (5)
O10—H10A0.82 (3)C16—H160.9500
O10—H10B0.82 (3)C17—C181.368 (6)
O11—H11A0.82 (3)C17—H170.9500
O11—H11B0.82 (5)C18—C191.378 (5)
N1—C191.333 (4)C18—H180.9500
N1—C151.344 (4)C19—H190.9500
C1—C21.419 (4)
O1i—Co1—O1180.00 (13)C3—C2—H2119.2
O1i—Co1—O2i86.87 (9)C1—C2—H2119.2
O1—Co1—O2i93.13 (9)O3—C3—C2124.2 (3)
O1i—Co1—O293.13 (9)O3—C3—C4115.8 (3)
O1—Co1—O286.87 (9)C2—C3—C4120.1 (3)
O2i—Co1—O2180.0C5—C4—C3119.0 (3)
O1i—Co1—N1i89.72 (9)C5—C4—S1120.9 (2)
O1—Co1—N1i90.28 (9)C3—C4—S1120.1 (2)
O2i—Co1—N1i93.47 (9)C4—C5—C6123.1 (3)
O2—Co1—N1i86.53 (9)C4—C5—H5118.4
O1i—Co1—N190.28 (9)C6—C5—H5118.4
O1—Co1—N189.72 (9)C5—C6—C7119.3 (3)
O2i—Co1—N186.53 (9)C5—C6—C1117.8 (3)
O2—Co1—N193.47 (9)C7—C6—C1122.9 (3)
N1i—Co1—N1180.0O2—C7—C6124.7 (3)
O7—Co2—O887.83 (10)O2—C7—C8115.0 (3)
O7—Co2—O987.25 (10)C6—C7—C8120.3 (3)
O8—Co2—O8ii180.0 (3)C9—C8—C13119.5 (3)
O8—Co2—O990.10 (12)C9—C8—C7118.5 (3)
O8ii—Co2—O989.90 (12)C13—C8—C7121.7 (3)
O8—Co2—O9ii89.90 (12)C10—C9—C8119.7 (3)
O8ii—Co2—O9ii90.10 (12)C10—C9—H9C120.2
O9—Co2—O9ii180.0 (2)C8—C9—H9C120.2
O8—Co2—O7ii92.17 (10)C11—C10—C9120.9 (4)
O8ii—Co2—O7ii87.83 (10)C11—C10—H10119.6
O9—Co2—O7ii92.75 (10)C9—C10—H10119.6
O9ii—Co2—O7ii87.25 (10)C12—C11—C10119.1 (3)
O8ii—Co2—O792.17 (10)C12—C11—H11120.4
O9ii—Co2—O792.75 (10)C10—C11—H11120.4
O7ii—Co2—O7180.00 (9)C11—C12—C13121.2 (3)
O5—S1—O4112.16 (13)C11—C12—H12119.4
O5—S1—O6112.40 (13)C13—C12—H12119.4
O4—S1—O6111.69 (13)C12—C13—C8119.6 (3)
O5—S1—C4105.46 (14)C12—C13—H13120.2
O4—S1—C4108.01 (14)C8—C13—H13120.2
O6—S1—C4106.67 (14)O3—C14—H14A109.5
C1—O1—Co1124.8 (2)O3—C14—H14B109.5
C7—O2—Co1126.2 (2)H14A—C14—H14B109.5
C3—O3—C14118.5 (2)O3—C14—H14C109.5
Co2—O7—H7A121 (3)H14A—C14—H14C109.5
Co2—O7—H7B117 (3)H14B—C14—H14C109.5
H7A—O7—H7B112 (4)N1—C15—C16123.6 (3)
Co2—O8—H8A124 (3)N1—C15—H15118.2
Co2—O8—H8B125 (3)C16—C15—H15118.2
H8A—O8—H8B111 (4)C15—C16—C17118.6 (4)
Co2—O9—H9A118 (4)C15—C16—H16120.7
Co2—O9—H9B119 (4)C17—C16—H16120.7
H9A—O9—H9B109 (5)C18—C17—C16118.8 (4)
H10A—O10—H10B109 (5)C18—C17—H17120.6
H11A—O11—H11B112 (6)C16—C17—H17120.6
C19—N1—C15116.6 (3)C17—C18—C19119.1 (4)
C19—N1—Co1124.0 (2)C17—C18—H18120.5
C15—N1—Co1119.4 (2)C19—C18—H18120.5
O1—C1—C2117.8 (3)N1—C19—C18123.3 (4)
O1—C1—C6123.9 (3)N1—C19—H19118.4
C2—C1—C6118.3 (3)C18—C19—H19118.4
C3—C2—C1121.7 (3)
O2i—Co1—O1—C1−145.3 (2)C3—C4—C5—C61.6 (5)
O2—Co1—O1—C134.7 (2)S1—C4—C5—C6179.8 (2)
N1i—Co1—O1—C1−51.8 (2)C4—C5—C6—C7−177.6 (3)
N1—Co1—O1—C1128.2 (2)C4—C5—C6—C11.8 (5)
O1i—Co1—O2—C7154.5 (3)O1—C1—C6—C5177.8 (3)
O1—Co1—O2—C7−25.5 (3)C2—C1—C6—C5−4.1 (4)
N1i—Co1—O2—C765.0 (3)O1—C1—C6—C7−2.8 (5)
N1—Co1—O2—C7−115.0 (3)C2—C1—C6—C7175.3 (3)
O1i—Co1—N1—C1935.2 (3)Co1—O2—C7—C67.8 (4)
O1—Co1—N1—C19−144.8 (3)Co1—O2—C7—C8−173.65 (19)
O2i—Co1—N1—C19122.0 (3)C5—C6—C7—O2−167.5 (3)
O2—Co1—N1—C19−58.0 (3)C1—C6—C7—O213.1 (5)
O1i—Co1—N1—C15−144.2 (2)C5—C6—C7—C814.0 (4)
O1—Co1—N1—C1535.8 (2)C1—C6—C7—C8−165.4 (3)
O2i—Co1—N1—C15−57.3 (2)O2—C7—C8—C951.5 (4)
O2—Co1—N1—C15122.7 (2)C6—C7—C8—C9−129.8 (3)
Co1—O1—C1—C2154.4 (2)O2—C7—C8—C13−123.0 (3)
Co1—O1—C1—C6−27.5 (4)C6—C7—C8—C1355.6 (4)
O1—C1—C2—C3−178.7 (3)C13—C8—C9—C10−0.4 (5)
C6—C1—C2—C33.1 (5)C7—C8—C9—C10−175.1 (3)
C14—O3—C3—C20.4 (5)C8—C9—C10—C112.0 (5)
C14—O3—C3—C4179.3 (3)C9—C10—C11—C12−1.8 (6)
C1—C2—C3—O3179.2 (3)C10—C11—C12—C130.0 (6)
C1—C2—C3—C40.4 (5)C11—C12—C13—C81.6 (5)
O3—C3—C4—C5178.3 (3)C9—C8—C13—C12−1.3 (5)
C2—C3—C4—C5−2.8 (5)C7—C8—C13—C12173.1 (3)
O3—C3—C4—S10.1 (4)C19—N1—C15—C161.2 (5)
C2—C3—C4—S1179.1 (2)Co1—N1—C15—C16−179.4 (3)
O5—S1—C4—C54.0 (3)N1—C15—C16—C17−1.2 (6)
O4—S1—C4—C5124.1 (3)C15—C16—C17—C18−0.1 (6)
O6—S1—C4—C5−115.7 (3)C16—C17—C18—C191.2 (6)
O5—S1—C4—C3−177.8 (2)C15—N1—C19—C180.0 (5)
O4—S1—C4—C3−57.8 (3)Co1—N1—C19—C18−179.4 (3)
O6—S1—C4—C362.4 (3)C17—C18—C19—N1−1.2 (6)
Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) −x, −y+1, −z.
Hydrogen-bond geometry (Å, °) top
D—H···AD—HH···AD···AD—H···A
O7—H7A···O6iii0.82 (3)2.06 (2)2.855 (3)164 (4)
O7—H7B···O5iv0.82 (3)1.98 (3)2.788 (3)172 (4)
O8—H8A···O110.83 (1)1.83 (1)2.651 (4)173 (5)
O8—H8B···O4v0.82 (3)1.99 (3)2.821 (3)178 (4)
O9—H9A···O100.83 (3)1.93 (4)2.753 (4)170 (5)
O9—H9B···O4vi0.83 (4)1.95 (5)2.763 (3)169 (5)
O10—H10A···O50.82 (3)2.04 (2)2.813 (3)158 (4)
O10—H10B···O6iii0.82 (3)2.02 (2)2.822 (3)166 (5)
O11—H11A···O10vii0.82 (3)2.03 (3)2.853 (5)177 (5)
O11—H11B···O60.82 (5)2.09 (5)2.899 (4)166 (4)
Symmetry codes: (iii) −x, y−1/2, −z+1/2; (iv) −x, y+1/2, −z+1/2; (v) x, −y+3/2, z−1/2; (vi) x, −y+1/2, z−1/2; (vii) x, y+1, z.
Table 1
Selected geometric parameters (Å, °) top
Co1—O12.005 (2)Co2—O82.037 (3)
Co1—O22.080 (2)Co2—O92.075 (3)
Co1—N12.173 (3)C7—O21.254 (4)
Co2—O72.113 (2)
O1i—Co1—O1180.00 (13)N1i—Co1—N1180.0
O1—Co1—O286.87 (9)O7—Co2—O887.83 (10)
O1—Co1—N1i90.28 (9)O7—Co2—O987.25 (10)
O1—Co1—N189.72 (9)O8—Co2—O990.10 (12)
O2—Co1—N193.47 (9)
Symmetry codes: (i) −x+1, −y+1, −z+1.
Table 2
Hydrogen-bond geometry (Å, °) top
D—H···AD—HH···AD···AD—H···A
O7—H7A···O6ii0.82 (3)2.06 (2)2.855 (3)164 (4)
O7—H7B···O5iii0.82 (3)1.98 (3)2.788 (3)172 (4)
O8—H8A···O110.83 (1)1.83 (1)2.651 (4)173 (5)
O8—H8B···O4iv0.82 (3)1.99 (3)2.821 (3)178 (4)
O9—H9A···O100.83 (3)1.93 (4)2.753 (4)170 (5)
O9—H9B···O4v0.83 (4)1.95 (5)2.763 (3)169 (5)
O10—H10A···O50.82 (3)2.04 (2)2.813 (3)158 (4)
O10—H10B···O6ii0.82 (3)2.02 (2)2.822 (3)166 (5)
O11—H11A···O10vi0.82 (3)2.03 (3)2.853 (5)177 (5)
O11—H11B···O60.82 (5)2.09 (5)2.899 (4)166 (4)
Symmetry codes: (ii) −x, y−1/2, −z+1/2; (iii) −x, y+1/2, −z+1/2; (iv) x, −y+3/2, z−1/2; (v) x, −y+1/2, z−1/2; (vi) x, y+1, z.
Acknowledgements top

This work was supported by the NSF of Guangxi (Nos. 0429001, 0575046), the Project of Ten, Hundred, Thousand Distinguished Talents in New Century of Guangxi (No. 2003223) and the program of NCET (NCET-04–0836) of the Chinese Ministry of Education.

references
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