supplementary materials


HTML versionpdf versioncif file3d viewstructure factorssupplementary materialsCIF check reportcited insimilar papers  retraction buy article online

Acta Cryst. (2007). E63, m2601    [ doi:10.1107/S1600536807046107 ]

Tetraaquabis(4,4'-bipyridine)cobalt(II) pyridine-2,6-dicarboxylate tetrahydrate

G. Guan, Y. Gao, L. Wang and T. Wang

Abstract top

In the title compound, [Co(C10H8N2)2(H2O)4](C7H3NO4)·4H2O, the CoII ion adopts a slightly distorted trans-CoN2O4 octahedral coordination, arising from two monodentate 4,4'-bipyridine molecules and four water molecules. The constituent species interact by way of an extensive network of O-H...O and O-H...N hydrogen bonds. The crystal studied was an inversion twin.

Comment top

As part of our studies of coordination polymer networks (Howell et al., 2001), the molecular title compound, (I), arose.

The Coii atom is (I) is coordinated by two monodentate 4,4'-bipyridine molecules in the axial sites and four associated water molecules in the equatorial plane with the r.m.s. deviation for the fitted atoms (Co1, O1, O2, O3, O4) being 0.012 Å (Fig. 1, Table 1). The dihedral angle between the N1 and N2 rings is 6.2 (3)°; that between the N3 and N4 rings is 6.9 (3)°.

A network of O—H···O and O—H···N hydrogen bonds (Table 2, Fig. 2) helps to establish the packing for (I).

Related literature top

For general background, see: Howell et al. (2001).

Experimental top

A mixture of cobalt dichloride (0.5 mmol), benzene-1,3-dicarboxylic acid (0.5 mmol), sodium hydroxide (1 mmol), 4,4'-bipyridine (0.5 mmol), H2O (8 ml) and ethanol (8 ml) in a 25-ml Teflon-lined stainless steel autoclave was heated at 453 K for one week, and then cooled to room temperature. Red blocks of (I) were obtained with a yield of 8%. Anal. Calc. for C27H35CoN5O12: C 47.61, H 5.14, N 10.29%; Found: C 47.56, H 5.18, N 10.22%.

Refinement top

The H atoms of the water molecule were located from difference density maps and were refined with distance restraints of H···H = 1.38 (2) Å and O—H = 0.82 (2) Å. All other H atoms were placed in calculated positions (C—H = 0.93 Å) and refined as riding with Uiso(H) = 1.2Ueq of the respective carrier atom.

Computing details top

Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT-Plus (Bruker, 2001); data reduction: SAINT-Plus (Bruker, 2001); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 2001); software used to prepare material for publication: SHELXTL (Bruker, 2001).

Figures top
[Figure 1] Fig. 1. The molecular structure of (I), drawn with 30% probability displacement ellipsoids for the non-hydrogen atoms.
[Figure 2] Fig. 2. The packing in (I) with the O···O and O···N contacts for the hydrogen bonds indicated by dashed lines.
Tetraaquabis(4,4'-bipyridine)cobalt(II) pyridine-2,6-dicarboxylate tetrahydrate top
Crystal data top
[Co(C10H8N2)2(H2O)4](C7H3NO4)·4H2OF(000) = 1420
Mr = 680.53Dx = 1.462 Mg m−3
Monoclinic, CcMo Kα radiation, λ = 0.71073 Å
Hall symbol: C -2ycCell parameters from 3167 reflections
a = 18.1827 (5) Åθ = 1.6–25.0°
b = 6.8537 (10) ŵ = 0.63 mm−1
c = 25.1485 (5) ÅT = 293 K
β = 99.398 (10)°Block, red
V = 3091.9 (5) Å30.42 × 0.28 × 0.22 mm
Z = 4
Data collection top
Bruker APEXII CCD area-detector
diffractometer		3167 independent reflections
Radiation source: fine-focus sealed tube2936 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.033
φ and ω scansθmax = 25.0°, θmin = 1.6°
Absorption correction: multi-scan
(SADABS; Bruker, 2001)		h = −19→21
Tmin = 0.779, Tmax = 0.875k = −8→4
5091 measured reflectionsl = −29→12
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.043H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.129 w = 1/[σ2(Fo2) + (0.104P)2 + 1.0603P]
where P = (Fo2 + 2Fc2)/3
S = 1.00(Δ/σ)max < 0.001
3167 reflectionsΔρmax = 0.40 e Å−3
456 parametersΔρmin = −0.58 e Å−3
26 restraintsAbsolute structure: Flack (1983), with how many Friedel pairs?
Primary atom site location: structure-invariant direct methodsFlack parameter: 0.65 (4)
Crystal data top
[Co(C10H8N2)2(H2O)4](C7H3NO4)·4H2OV = 3091.9 (5) Å3
Mr = 680.53Z = 4
Monoclinic, CcMo Kα radiation
a = 18.1827 (5) ŵ = 0.63 mm−1
b = 6.8537 (10) ÅT = 293 K
c = 25.1485 (5) Å0.42 × 0.28 × 0.22 mm
β = 99.398 (10)°
Data collection top
Bruker APEXII CCD area-detector
diffractometer		3167 independent reflections
Absorption correction: multi-scan
(SADABS; Bruker, 2001)		2936 reflections with I > 2σ(I)
Tmin = 0.779, Tmax = 0.875Rint = 0.033
5091 measured reflectionsθmax = 25.0°
Refinement top
R[F2 > 2σ(F2)] = 0.043H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.129Δρmax = 0.40 e Å−3
S = 1.00Δρmin = −0.58 e Å−3
3167 reflectionsAbsolute structure: Flack (1983), with how many Friedel pairs?
456 parametersFlack parameter: 0.65 (4)
26 restraints
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
Co10.67783 (8)0.76266 (9)0.87717 (6)0.0355 (2)
C10.6043 (3)0.8586 (8)0.9833 (2)0.0364 (12)
H10.55970.86040.95910.044*
C20.7306 (3)0.8503 (9)0.9992 (2)0.0437 (14)
H20.77570.84580.98640.052*
C30.7327 (3)0.8594 (8)1.0542 (2)0.0395 (13)
H30.77820.86201.07730.047*
C40.6013 (3)0.8673 (9)1.0380 (2)0.0389 (13)
H40.55560.87491.04990.047*
C50.6670 (3)0.8644 (6)1.0746 (2)0.0265 (10)
C60.6670 (3)0.8625 (7)1.1340 (2)0.0277 (11)
C70.6017 (3)0.8496 (9)1.1560 (2)0.0444 (14)
H70.55570.84461.13350.053*
C80.7334 (3)0.8700 (10)1.1714 (2)0.0467 (14)
H80.77900.87941.15940.056*
C90.7313 (4)0.8637 (9)1.2261 (2)0.0461 (14)
H90.77630.86821.24980.055*
C100.6052 (4)0.8443 (10)1.2112 (3)0.0553 (17)
H100.56050.83511.22450.066*
C110.6226 (3)0.6744 (10)0.7540 (2)0.0452 (14)
H110.57700.68700.76580.054*
C120.7481 (4)0.6476 (10)0.7726 (2)0.0481 (15)
H120.79200.64290.79740.058*
C130.7532 (3)0.6281 (10)0.7186 (2)0.0459 (14)
H130.79940.60630.70830.055*
C140.6228 (3)0.6587 (9)0.6993 (2)0.0430 (14)
H140.57770.65990.67570.052*
C150.6886 (3)0.6411 (6)0.6791 (2)0.0261 (10)
C160.6920 (3)0.6373 (6)0.62062 (19)0.0272 (11)
C170.6269 (3)0.6348 (8)0.5828 (2)0.0359 (12)
H170.58040.63390.59370.043*
C180.7592 (3)0.6372 (8)0.6013 (2)0.0388 (12)
H180.80430.63750.62490.047*
C190.7576 (4)0.6368 (8)0.5461 (2)0.0429 (13)
H190.80310.63830.53370.051*
C200.6327 (3)0.6335 (8)0.5279 (2)0.0379 (12)
H200.58890.63180.50290.045*
C210.4269 (3)0.8255 (8)0.6808 (2)0.0369 (12)
C220.4210 (3)0.9008 (7)0.4797 (2)0.0329 (10)
C230.4286 (6)0.7341 (6)0.6267 (4)0.0317 (8)
C240.4309 (3)0.5329 (7)0.6202 (2)0.0372 (11)
H240.43190.45200.65000.045*
C250.4317 (3)0.4511 (7)0.5695 (2)0.0381 (11)
H250.43380.31630.56580.046*
C260.4295 (3)0.5684 (7)0.5248 (2)0.0371 (11)
H260.43010.51250.49110.044*
C270.4265 (4)0.7722 (7)0.5299 (3)0.0321 (14)
N10.6684 (2)0.8477 (6)0.96340 (16)0.0301 (10)
N20.6678 (3)0.8514 (6)1.24685 (19)0.0403 (11)
N30.6852 (2)0.6725 (6)0.79132 (17)0.0325 (10)
N40.6963 (3)0.6345 (6)0.50961 (18)0.0367 (11)
N50.4265 (3)0.8515 (7)0.5801 (2)0.0432 (11)
O10.7932 (2)0.8702 (5)0.88665 (16)0.0386 (9)
O20.6401 (3)1.0475 (5)0.84774 (15)0.0448 (10)
O30.5623 (2)0.6581 (6)0.86976 (17)0.0434 (9)
O40.7151 (2)0.4793 (6)0.90703 (17)0.0445 (9)
O50.8406 (4)0.2547 (5)0.8925 (2)0.0455 (14)
O60.4356 (3)0.3084 (8)0.7615 (2)0.0700 (13)
O70.4362 (3)0.8505 (6)0.81861 (18)0.0525 (11)
O80.5140 (4)0.7287 (7)0.3640 (3)0.0559 (16)
O90.4161 (2)1.0788 (5)0.48651 (15)0.0432 (9)
O100.4189 (2)0.8175 (6)0.43492 (16)0.0446 (9)
O110.4273 (3)0.7097 (7)0.72046 (19)0.0511 (13)
O120.4261 (2)1.0060 (6)0.68432 (16)0.0459 (9)
H1W0.825 (3)0.793 (7)0.901 (3)0.069*
H2W0.804 (4)0.986 (3)0.892 (3)0.069*
H3W0.607 (3)1.117 (9)0.854 (2)0.069*
H4W0.645 (4)1.026 (10)0.8169 (10)0.069*
H5W0.526 (3)0.715 (8)0.853 (3)0.069*
H6W0.559 (4)0.5395 (18)0.870 (3)0.069*
H7W0.745 (3)0.416 (8)0.893 (3)0.069*
H8W0.702 (4)0.419 (8)0.932 (2)0.069*
H9W0.859 (4)0.280 (10)0.9234 (10)0.069*
H10W0.867 (4)0.278 (11)0.870 (2)0.069*
H11W0.415 (4)0.262 (8)0.7327 (16)0.069*
H13W0.458 (4)0.956 (5)0.823 (2)0.069*
H14W0.431 (5)0.813 (9)0.7873 (10)0.069*
H15W0.492 (4)0.739 (10)0.3897 (19)0.069*
H16W0.487 (3)0.724 (11)0.3347 (14)0.069*
H12W0.425 (4)0.422 (4)0.767 (3)0.069*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Co10.0370 (3)0.0440 (3)0.0255 (3)0.0009 (3)0.0054 (2)0.0012 (3)
C10.028 (3)0.057 (3)0.023 (3)0.008 (2)0.001 (2)−0.005 (2)
C20.032 (3)0.070 (4)0.030 (3)−0.007 (3)0.007 (2)−0.007 (3)
C30.027 (3)0.068 (3)0.022 (3)−0.007 (3)0.001 (2)−0.006 (2)
C40.030 (3)0.066 (3)0.020 (3)0.003 (3)0.003 (2)−0.003 (2)
C50.034 (3)0.027 (2)0.019 (2)0.0008 (19)0.004 (2)−0.0007 (18)
C60.031 (3)0.029 (2)0.025 (3)0.002 (2)0.009 (2)−0.0010 (18)
C70.031 (3)0.071 (4)0.031 (3)−0.005 (3)0.006 (2)−0.005 (3)
C80.034 (3)0.073 (4)0.034 (3)0.002 (3)0.008 (3)0.000 (3)
C90.044 (3)0.070 (3)0.025 (3)0.003 (3)0.006 (3)0.002 (3)
C100.054 (4)0.083 (4)0.034 (3)−0.008 (3)0.021 (3)−0.007 (3)
C110.028 (3)0.084 (4)0.025 (3)−0.005 (3)0.010 (2)−0.007 (3)
C120.038 (3)0.076 (4)0.028 (3)0.014 (3)0.000 (3)−0.004 (3)
C130.029 (3)0.079 (4)0.032 (3)0.008 (3)0.010 (2)−0.010 (3)
C140.023 (3)0.077 (4)0.027 (3)−0.001 (3)−0.002 (2)−0.006 (3)
C150.028 (3)0.028 (2)0.022 (3)0.0014 (19)0.005 (2)0.0001 (18)
C160.032 (3)0.025 (2)0.023 (3)0.0024 (19)0.002 (2)−0.0028 (18)
C170.033 (3)0.057 (3)0.018 (3)0.000 (2)0.005 (2)−0.003 (2)
C180.035 (3)0.055 (3)0.028 (3)0.003 (2)0.009 (2)−0.003 (2)
C190.043 (3)0.055 (3)0.033 (3)0.001 (3)0.015 (3)0.000 (2)
C200.037 (3)0.047 (3)0.026 (3)−0.004 (2)−0.006 (2)−0.003 (2)
C210.028 (3)0.045 (3)0.036 (3)0.006 (2)0.003 (2)−0.002 (2)
C220.027 (2)0.041 (2)0.031 (2)−0.003 (2)0.0067 (19)−0.005 (2)
C230.0186 (16)0.042 (2)0.033 (2)0.002 (2)−0.0011 (14)0.002 (2)
C240.032 (2)0.041 (2)0.036 (3)0.002 (2)0.000 (2)0.002 (2)
C250.037 (3)0.029 (2)0.046 (3)0.004 (2)0.001 (2)−0.002 (2)
C260.035 (3)0.041 (3)0.034 (3)−0.001 (2)0.001 (2)−0.011 (2)
C270.024 (3)0.036 (3)0.037 (3)0.000 (2)0.005 (2)−0.007 (2)
N10.031 (2)0.037 (2)0.021 (2)−0.0023 (18)0.0028 (19)−0.0010 (17)
N20.053 (3)0.042 (2)0.026 (2)−0.005 (2)0.010 (2)−0.004 (2)
N30.034 (2)0.040 (2)0.024 (2)0.0030 (19)0.0038 (19)−0.0017 (18)
N40.049 (3)0.041 (2)0.021 (2)0.003 (2)0.009 (2)−0.0004 (18)
N50.033 (2)0.050 (3)0.046 (3)0.003 (2)0.005 (2)−0.002 (2)
O10.035 (2)0.0408 (17)0.039 (2)−0.0036 (16)0.0040 (17)0.0008 (16)
O20.066 (3)0.044 (2)0.0266 (19)0.0210 (19)0.0154 (18)0.0088 (17)
O30.034 (2)0.050 (2)0.045 (2)−0.0060 (18)0.0060 (18)−0.0033 (19)
O40.057 (3)0.045 (2)0.036 (2)0.0186 (18)0.0198 (18)0.0104 (17)
O50.047 (3)0.051 (3)0.040 (3)−0.0054 (17)0.008 (3)−0.0061 (17)
O60.087 (4)0.077 (3)0.045 (3)−0.010 (3)0.009 (2)−0.014 (2)
O70.066 (3)0.049 (2)0.043 (3)−0.008 (2)0.012 (2)−0.0047 (19)
O80.056 (4)0.063 (3)0.055 (4)−0.009 (2)0.028 (3)−0.015 (2)
O90.055 (2)0.0404 (19)0.0336 (19)0.0007 (17)0.0046 (17)−0.0005 (16)
O100.049 (2)0.055 (2)0.031 (2)−0.005 (2)0.0108 (18)−0.0114 (18)
O110.067 (4)0.061 (2)0.025 (2)0.005 (3)0.006 (2)0.003 (2)
O120.054 (2)0.048 (2)0.035 (2)0.0018 (18)0.0044 (17)−0.0097 (17)
Geometric parameters (Å, º) top
Co1—O42.151 (4)C17—C201.402 (8)
Co1—O22.160 (4)C17—H170.9300
Co1—O32.199 (4)C18—C191.384 (8)
Co1—O12.200 (4)C18—H180.9300
Co1—N12.279 (5)C19—N41.323 (8)
Co1—N32.271 (5)C19—H190.9300
C1—N11.344 (7)C20—N41.311 (8)
C1—C41.388 (8)C20—H200.9300
C1—H10.9300C21—O121.241 (7)
C2—N11.326 (7)C21—O111.274 (8)
C2—C31.377 (8)C21—C231.503 (11)
C2—H20.9300C22—O91.237 (6)
C3—C51.377 (7)C22—O101.258 (6)
C3—H30.9300C22—C271.529 (8)
C4—C51.384 (7)C23—C241.390 (7)
C4—H40.9300C23—N51.416 (10)
C5—C61.493 (6)C24—C251.397 (8)
C6—C71.392 (8)C24—H240.9300
C6—C81.407 (8)C25—C261.377 (8)
C7—C101.380 (9)C25—H250.9300
C7—H70.9300C26—C271.405 (7)
C8—C91.381 (8)C26—H260.9300
C8—H80.9300C27—N51.375 (8)
C9—N21.346 (8)O1—H1W0.82 (6)
C9—H90.9300O1—H2W0.82 (3)
C10—N21.329 (9)O2—H3W0.80 (6)
C10—H100.9300O2—H4W0.81 (3)
C11—N31.351 (7)O3—H5W0.82 (6)
C11—C141.379 (8)O3—H6W0.816 (11)
C11—H110.9300O4—H7W0.82 (6)
C12—N31.317 (8)O4—H8W0.82 (5)
C12—C131.383 (8)O5—H9W0.81 (4)
C12—H120.9300O5—H10W0.82 (7)
C13—C151.413 (8)O6—H11W0.82 (4)
C13—H130.9300O6—H12W0.82 (3)
C14—C151.380 (8)O7—H13W0.82 (5)
C14—H140.9300O7—H14W0.82 (3)
C15—C161.482 (7)O8—H15W0.82 (6)
C16—C181.387 (8)O8—H16W0.82 (4)
C16—C171.393 (7)
O4—Co1—O2179.6 (2)C18—C16—C15122.0 (5)
O4—Co1—O388.71 (17)C17—C16—C15120.7 (4)
O2—Co1—O391.11 (18)C16—C17—C20118.7 (5)
O4—Co1—O191.40 (17)C16—C17—H17120.6
O2—Co1—O188.77 (17)C20—C17—H17120.6
O3—Co1—O1178.5 (2)C19—C18—C16118.4 (5)
O4—Co1—N188.11 (16)C19—C18—H18120.8
O2—Co1—N191.48 (15)C16—C18—H18120.8
O3—Co1—N186.82 (17)N4—C19—C18125.0 (6)
O1—Co1—N191.71 (16)N4—C19—H19117.6
O4—Co1—N391.27 (16)C18—C19—H19117.5
O2—Co1—N389.13 (16)N4—C20—C17123.9 (5)
O3—Co1—N391.97 (17)N4—C20—H20118.0
O1—Co1—N389.49 (17)C17—C20—H20118.0
N1—Co1—N3178.66 (19)O12—C21—O11124.3 (6)
N1—C1—C4123.2 (5)O12—C21—C23118.8 (5)
N1—C1—H1118.4O11—C21—C23116.8 (5)
C4—C1—H1118.4O9—C22—O10125.3 (5)
N1—C2—C3124.4 (6)O9—C22—C27116.9 (4)
N1—C2—H2117.8O10—C22—C27117.7 (4)
C3—C2—H2117.8C24—C23—N5117.7 (8)
C2—C3—C5119.4 (5)C24—C23—C21121.6 (7)
C2—C3—H3120.3N5—C23—C21120.7 (4)
C5—C3—H3120.3C23—C24—C25120.6 (7)
C5—C4—C1119.4 (5)C23—C24—H24119.7
C5—C4—H4120.3C25—C24—H24119.7
C1—C4—H4120.3C26—C25—C24120.6 (5)
C3—C5—C4117.3 (5)C26—C25—H25119.7
C3—C5—C6121.0 (5)C24—C25—H25119.7
C4—C5—C6121.7 (5)C25—C26—C27120.1 (5)
C7—C6—C8115.5 (5)C25—C26—H26119.9
C7—C6—C5122.5 (5)C27—C26—H26119.9
C8—C6—C5121.9 (5)N5—C27—C26118.9 (6)
C10—C7—C6120.0 (6)N5—C27—C22121.4 (4)
C10—C7—H7120.0C26—C27—C22119.7 (5)
C6—C7—H7120.0C2—N1—C1116.2 (5)
C9—C8—C6120.3 (6)C2—N1—Co1117.5 (4)
C9—C8—H8119.9C1—N1—Co1124.9 (3)
C6—C8—H8119.8C10—N2—C9115.8 (5)
N2—C9—C8123.6 (6)C12—N3—C11115.8 (5)
N2—C9—H9118.2C12—N3—Co1124.3 (4)
C8—C9—H9118.2C11—N3—Co1119.0 (4)
N2—C10—C7124.8 (6)C20—N4—C19116.6 (5)
N2—C10—H10117.6C27—N5—C23122.1 (5)
C7—C10—H10117.6Co1—O1—H1W115 (5)
N3—C11—C14123.6 (5)Co1—O1—H2W123 (5)
N3—C11—H11118.2H1W—O1—H2W115 (3)
C14—C11—H11118.2Co1—O2—H3W132 (5)
N3—C12—C13124.4 (5)Co1—O2—H4W95 (5)
N3—C12—H12117.8H3W—O2—H4W120 (3)
C13—C12—H12117.8Co1—O3—H5W125 (5)
C12—C13—C15120.2 (5)Co1—O3—H6W114 (5)
C12—C13—H13119.9H5W—O3—H6W114 (3)
C15—C13—H13119.9Co1—O4—H7W122 (4)
C11—C14—C15121.2 (5)Co1—O4—H8W127 (4)
C11—C14—H14119.4H7W—O4—H8W111 (7)
C15—C14—H14119.4H9W—O5—H10W115 (7)
C14—C15—C13114.7 (5)H11W—O6—H12W116 (7)
C14—C15—C16123.1 (4)H13W—O7—H14W112 (3)
C13—C15—C16122.2 (5)H15W—O8—H16W115 (3)
C18—C16—C17117.4 (5)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1—H1W···O10i0.82 (6)1.93 (6)2.728 (6)162 (7)
O1—H2W···O5ii0.82 (3)1.96 (2)2.769 (6)169 (8)
O2—H3W···O8iii0.80 (6)2.05 (6)2.843 (8)173 (8)
O2—H4W···N2iv0.81 (3)2.06 (4)2.755 (6)145 (7)
O3—H5W···O70.82 (6)1.95 (6)2.772 (6)176 (10)
O3—H6W···O8v0.82 (1)2.01 (3)2.789 (7)161 (6)
O4—H7W···O50.82 (6)2.06 (3)2.826 (7)155 (7)
O4—H8W···N4v0.82 (5)2.00 (3)2.769 (6)155 (7)
O5—H9W···O9i0.81 (4)2.00 (3)2.777 (7)161 (7)
O5—H10W···O7vi0.82 (7)2.01 (6)2.822 (8)176 (7)
O6—H11W···O12vii0.82 (4)2.16 (4)2.825 (6)137 (6)
O7—H14W···O110.82 (3)1.82 (4)2.631 (7)174 (8)
O8—H15W···O100.82 (6)1.96 (7)2.746 (8)162 (7)
O8—H16W···O6viii0.82 (4)1.94 (4)2.747 (9)172 (8)
O6—H12W···O110.82 (3)2.30 (5)2.933 (7)135 (7)
Symmetry codes: (i) x+1/2, −y+3/2, z+1/2; (ii) x, y+1, z; (iii) x, −y+2, z+1/2; (iv) x, −y+2, z−1/2; (v) x, −y+1, z+1/2; (vi) x+1/2, y−1/2, z; (vii) x, y−1, z; (viii) x, −y+1, z−1/2.
Selected bond lengths (Å) top
Co1—O42.151 (4)Co1—O12.200 (4)
Co1—O22.160 (4)Co1—N12.279 (5)
Co1—O32.199 (4)Co1—N32.271 (5)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1—H1W···O10i0.82 (6)1.93 (6)2.728 (6)162 (7)
O1—H2W···O5ii0.82 (3)1.96 (2)2.769 (6)169 (8)
O2—H3W···O8iii0.80 (6)2.05 (6)2.843 (8)173 (8)
O2—H4W···N2iv0.81 (3)2.06 (4)2.755 (6)145 (7)
O3—H5W···O70.82 (6)1.95 (6)2.772 (6)176 (10)
O3—H6W···O8v0.816 (11)2.01 (3)2.789 (7)161 (6)
O4—H7W···O50.82 (6)2.06 (3)2.826 (7)155 (7)
O4—H8W···N4v0.82 (5)2.00 (3)2.769 (6)155 (7)
O5—H9W···O9i0.81 (4)2.00 (3)2.777 (7)161 (7)
O5—H10W···O7vi0.82 (7)2.01 (6)2.822 (8)176 (7)
O6—H11W···O12vii0.82 (4)2.16 (4)2.825 (6)137 (6)
O7—H14W···O110.82 (3)1.82 (4)2.631 (7)174 (8)
O8—H15W···O100.82 (6)1.96 (7)2.746 (8)162 (7)
O8—H16W···O6viii0.82 (4)1.94 (4)2.747 (9)172 (8)
O6—H12W···O110.82 (3)2.30 (5)2.933 (7)135 (7)
Symmetry codes: (i) x+1/2, −y+3/2, z+1/2; (ii) x, y+1, z; (iii) x, −y+2, z+1/2; (iv) x, −y+2, z−1/2; (v) x, −y+1, z+1/2; (vi) x+1/2, y−1/2, z; (vii) x, y−1, z; (viii) x, −y+1, z−1/2.
references
References top

Bruker (2001). SAINT, SADABS and SHELXTL. Bruker AXS Inc., Madison, Wisconsin, USA.

Bruker (2004). APEX. Bruker AXS Inc., Madison, Wisconsin, USA.

Flack, H. D. (1983). Acta Cryst. A39, 876–881.

Howell, R. C., Perez, F. G., Jain, S., Horrocks, W. D., Rheingold, A. L. Jr & Francesconi, L. C. (2001). Angew. Chem. Int. Ed. Engl. 40, 4031–4034.

Sheldrick, G. M. (1997). SHELXS97 and SHELXL97. University of Göttingen, Germany.