Hexaaqua-cobalt(II) bis-{[N-(4-meth-oxy-2-oxidobenzyl-idene)glycylglycinato]nickel(II)} hexa-hydrate.

In the title compound, [Co(H(2)O)(6)][Ni(C(12)H(11)N(2)O(5))](2)·6H(2)O, the Ni(II) atom has a nearly square-planar coordination with two N and two O atoms of the N-(4-meth-oxy-2-oxidobenzyl-idene)glycylglycinate Schiff base ligand (L(3-)). The Co(II) atom sits on an inversion center and is coordinated to six aqua ligands in a slightly distorted octa-hedral geometry. The [Co(H(2)O)(6)](2+) cations and [NiL](-) anions form columns along the a axis by O-H⋯O hydrogen bonds. Additional hydrogen bonds between the uncoordinated and coordinated water molecules help to consolidate the crystal packing.

Related literature

For the structures of the copper(II) analogues, see: Liu et al. (2006 ▶); Zou et al. (2004 ▶). For the magnetic properties of n class="Chemical">copper(II) heteronuclear complexes, see: Liu et al. (2004 ▶); Zou et al. (2003 ▶).

Experimental

Crystal data

[Co(H2O)6][n class="Chemical">Ni(C12H11N2O5)]2·6H2O

M = 919.00

Triclinic,

a = 7.9052 (8) Å

b = 10.7595 (10) Å

c = 11.5032 (11) Å

α = 76.325 (1)°

β = 76.654 (1)°

γ = 80.334 (1)°

V = 918.34 (15) Å3

Z = 1

Mo Kα radiation

μ = 1.55 mm−1

T = 296 K

0.30 × 0.30 × 0.25 mm

Data collection

Bruker SMART APEX CCD diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 2004 ▶) T min = 0.633, T max = 0.672

7254 measured reflections

3572 independent reflections

3300 reflections with I > 2σ(I)

R int = 0.073

Refinement

R[F 2 > 2σ(F 2)] = 0.035

wR(F 2) = 0.091

S = 1.04

3572 reflections

272 parameters

18 restraints

H atoms treated by a mixture of independent and n class="Chemical">constrained refinement

Δρmax = 0.67 e Å−3

Δρmin = −0.88 e Å−3

Data collection: SMART (Bruker, 2002 ▶); cell refinement: SAIn class="Chemical">NT-Plus (Bruker, 2003 ▶); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXTL (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536809026750/pk2168sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809026750/pk2168Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

[Co(H2O)6][Ni(C12H11N2O5)]2·6H2O	Z = 1
Mr = 919.00	F(000) = 477
Triclinic, P1	Dx = 1.662 Mg m−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 7.9052 (8) Å	Cell parameters from 6194 reflections
b = 10.7595 (10) Å	θ = 2.4–28.4°
c = 11.5032 (11) Å	µ = 1.55 mm−1
α = 76.325 (1)°	T = 296 K
β = 76.654 (1)°	Block, yellow
γ = 80.334 (1)°	0.30 × 0.30 × 0.25 mm
V = 918.34 (15) Å3

Bruker SMART APEX CCD diffractometer	3572 independent reflections
Radiation source: sealed tube	3300 reflections with I > 2σ(I)
graphite	Rint = 0.073
φ and ω scans	θmax = 26.0°, θmin = 1.9°
Absorption correction: multi-scan (SADABS; Sheldrick, 2004)	h = −9→9
Tmin = 0.633, Tmax = 0.672	k = −13→13
7254 measured reflections	l = −14→14

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)] = 0.035	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.091	H atoms treated by a mixture of independent and constrained refinement
S = 1.04	w = 1/[σ2(Fo2) + (0.0608P)2 + 0.0666P] where P = (Fo2 + 2Fc2)/3
3572 reflections	(Δ/σ)max = 0.002
272 parameters	Δρmax = 0.67 e Å−3
18 restraints	Δρmin = −0.88 e Å−3

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.

	x	y	z	Uiso*/Ueq
Ni1	0.53859 (3)	0.70463 (2)	0.993860 (18)	0.02321 (10)
Co1	0.5000	1.0000	0.5000	0.02262 (11)
C1	0.7940 (2)	0.51644 (17)	0.89989 (17)	0.0253 (4)
C2	0.9034 (2)	0.46971 (18)	0.79967 (18)	0.0292 (4)
H2	0.9018	0.5164	0.7207	0.035*
C3	1.0127 (2)	0.35529 (19)	0.81779 (19)	0.0302 (4)
C4	1.0201 (3)	0.28302 (19)	0.9361 (2)	0.0349 (4)
H4	1.0962	0.2073	0.9477	0.042*
C5	0.9134 (3)	0.32634 (18)	1.03332 (19)	0.0329 (4)
H5	0.9168	0.2780	1.1115	0.039*
C6	0.7977 (2)	0.44218 (17)	1.01975 (17)	0.0273 (4)
C7	0.6938 (2)	0.48078 (18)	1.12730 (18)	0.0295 (4)
H7	0.7051	0.4269	1.2020	0.035*
C8	0.4866 (2)	0.6148 (2)	1.24644 (17)	0.0337 (4)
H8A	0.5669	0.6223	1.2960	0.040*
H8B	0.4162	0.5464	1.2908	0.040*
C9	0.3700 (2)	0.74026 (19)	1.22086 (16)	0.0268 (4)
C10	0.2913 (2)	0.90964 (18)	1.05217 (17)	0.0290 (4)
H10A	0.3237	0.9817	1.0760	0.035*
H10B	0.1664	0.9068	1.0811	0.035*
C11	0.3377 (2)	0.92460 (18)	0.91472 (17)	0.0282 (4)
C12	1.1187 (3)	0.3666 (2)	0.6024 (2)	0.0459 (5)
H12A	1.0029	0.3720	0.5875	0.069*
H12B	1.2000	0.3187	0.5483	0.069*
H12C	1.1511	0.4518	0.5884	0.069*
N1	0.58553 (19)	0.58460 (15)	1.12880 (14)	0.0268 (3)
N2	0.3876 (2)	0.79006 (16)	1.10386 (14)	0.0273 (3)
O1	0.69326 (16)	0.62706 (13)	0.87706 (12)	0.028
O2	0.45819 (18)	0.84079 (13)	0.87239 (11)	0.0307 (3)
O3	0.26077 (19)	1.01400 (14)	0.84986 (12)	0.0393 (3)
O4	0.27210 (18)	0.78848 (15)	1.30738 (12)	0.0342 (3)
O5	1.12210 (19)	0.30305 (15)	0.72600 (14)	0.0408 (3)
O6	0.4645 (2)	0.83132 (15)	0.62941 (13)	0.0392 (3)
H6A	0.387 (3)	0.794 (3)	0.618 (2)	0.059*
H6B	0.457 (4)	0.831 (3)	0.7041 (17)	0.059*
O7	0.46103 (19)	1.10891 (15)	0.63028 (12)	0.0339 (3)
H7A	0.386 (3)	1.093 (3)	0.6968 (19)	0.051*
H7B	0.551 (2)	1.129 (3)	0.645 (2)	0.051*
O8	0.23876 (17)	1.02599 (15)	0.49286 (13)	0.0361 (3)
H8C	0.162 (3)	1.018 (3)	0.5560 (17)	0.054*
H8D	0.208 (3)	1.089 (2)	0.4394 (19)	0.054*
O9	0.2328 (2)	0.69532 (17)	0.57292 (15)	0.0458 (4)
H9A	0.127 (3)	0.722 (3)	0.601 (2)	0.069*
H9B	0.251 (4)	0.717 (3)	0.4978 (15)	0.069*
O10	0.00613 (19)	0.01756 (16)	0.71029 (14)	0.0415 (4)
H10C	−0.067 (3)	0.081 (2)	0.699 (3)	0.062*
H10D	0.073 (3)	0.029 (3)	0.752 (3)	0.062*
O11	0.1080 (2)	0.20515 (16)	0.31073 (15)	0.0446 (4)
H11B	0.178 (3)	0.248 (3)	0.254 (2)	0.067*
H11A	0.080 (4)	0.150 (2)	0.280 (3)	0.067*

	U11	U22	U33	U12	U13	U23
Ni1	0.02687 (14)	0.02163 (15)	0.01832 (14)	0.00209 (10)	−0.00428 (10)	−0.00239 (10)
Co1	0.02615 (18)	0.0238 (2)	0.01660 (18)	−0.00234 (14)	−0.00260 (13)	−0.00383 (13)
C1	0.0255 (8)	0.0193 (8)	0.0313 (9)	−0.0020 (6)	−0.0082 (7)	−0.0040 (7)
C2	0.0315 (9)	0.0232 (9)	0.0317 (10)	−0.0001 (7)	−0.0080 (7)	−0.0042 (7)
C3	0.0282 (8)	0.0240 (9)	0.0398 (11)	−0.0004 (7)	−0.0075 (8)	−0.0108 (8)
C4	0.0354 (9)	0.0230 (9)	0.0459 (12)	0.0035 (7)	−0.0143 (9)	−0.0048 (8)
C5	0.0369 (9)	0.0228 (10)	0.0387 (10)	−0.0010 (8)	−0.0158 (8)	0.0002 (8)
C6	0.0285 (8)	0.0198 (9)	0.0336 (10)	−0.0019 (7)	−0.0106 (7)	−0.0019 (7)
C7	0.0316 (8)	0.0253 (9)	0.0292 (9)	−0.0038 (7)	−0.0102 (7)	0.0036 (7)
C8	0.0333 (9)	0.0425 (11)	0.0222 (9)	−0.0015 (8)	−0.0066 (7)	−0.0020 (8)
C9	0.0269 (8)	0.0333 (10)	0.0215 (8)	−0.0059 (7)	−0.0044 (7)	−0.0067 (7)
C10	0.0351 (9)	0.0254 (9)	0.0244 (9)	0.0011 (7)	−0.0031 (7)	−0.0067 (7)
C11	0.0328 (9)	0.0238 (9)	0.0249 (9)	0.0013 (7)	−0.0026 (7)	−0.0053 (7)
C12	0.0519 (12)	0.0402 (13)	0.0409 (12)	0.0061 (10)	−0.0034 (10)	−0.0130 (10)
N1	0.0278 (7)	0.0279 (8)	0.0227 (7)	−0.0017 (6)	−0.0065 (6)	−0.0012 (6)
N2	0.0324 (7)	0.0260 (8)	0.0220 (7)	0.0015 (6)	−0.0053 (6)	−0.0053 (6)
O1	0.031	0.023	0.024	0.006	−0.004	−0.001
O2	0.0386 (7)	0.0272 (7)	0.0203 (6)	0.0076 (5)	−0.0038 (5)	−0.0035 (5)
O3	0.0491 (8)	0.0322 (8)	0.0258 (7)	0.0151 (6)	−0.0042 (6)	−0.0019 (6)
O4	0.0367 (7)	0.0427 (8)	0.0218 (7)	−0.0003 (6)	−0.0036 (5)	−0.0091 (6)
O5	0.0438 (8)	0.0324 (8)	0.0418 (8)	0.0109 (6)	−0.0068 (7)	−0.0116 (7)
O6	0.0556 (9)	0.0372 (8)	0.0253 (7)	−0.0144 (7)	−0.0108 (6)	0.0014 (6)
O7	0.0368 (7)	0.0401 (8)	0.0258 (7)	−0.0076 (6)	0.0001 (5)	−0.0129 (6)
O8	0.0303 (7)	0.0435 (9)	0.0288 (7)	0.0000 (6)	−0.0052 (5)	−0.0005 (6)
O9	0.0518 (9)	0.0448 (10)	0.0398 (9)	−0.0103 (8)	−0.0107 (7)	−0.0022 (7)
O10	0.0363 (7)	0.0485 (10)	0.0365 (8)	0.0039 (7)	−0.0028 (6)	−0.0128 (7)
O11	0.0486 (9)	0.0420 (9)	0.0361 (8)	−0.0067 (7)	−0.0053 (7)	0.0037 (7)

Ni1—N2	1.8318 (15)	C8—H8A	0.9700
Ni1—N1	1.8364 (15)	C8—H8B	0.9700
Ni1—O1	1.8510 (13)	C9—O4	1.270 (2)
Ni1—O2	1.9058 (13)	C9—N2	1.310 (2)
Co1—O7i	2.0518 (13)	C10—N2	1.451 (2)
Co1—O7	2.0518 (13)	C10—C11	1.514 (3)
Co1—O8	2.0551 (13)	C10—H10A	0.9700
Co1—O8i	2.0551 (13)	C10—H10B	0.9700
Co1—O6	2.0711 (14)	C11—O3	1.235 (2)
Co1—O6i	2.0711 (14)	C11—O2	1.289 (2)
C1—O1	1.323 (2)	C12—O5	1.429 (3)
C1—C2	1.413 (3)	C12—H12A	0.9600
C1—C6	1.425 (3)	C12—H12B	0.9600
C2—C3	1.382 (3)	C12—H12C	0.9600
C2—H2	0.9300	O6—H6A	0.831 (16)
C3—O5	1.369 (2)	O6—H6B	0.848 (16)
C3—C4	1.408 (3)	O7—H7A	0.854 (16)
C4—C5	1.363 (3)	O7—H7B	0.844 (16)
C4—H4	0.9300	O8—H8C	0.827 (16)
C5—C6	1.416 (3)	O8—H8D	0.844 (16)
C5—H5	0.9300	O9—H9A	0.850 (17)
C6—C7	1.427 (3)	O9—H9B	0.824 (17)
C7—N1	1.289 (2)	O10—H10C	0.822 (16)
C7—H7	0.9300	O10—H10D	0.831 (17)
C8—N1	1.477 (2)	O11—H11B	0.850 (17)
C8—C9	1.509 (3)	O11—H11A	0.841 (17)
N2—Ni1—N1	85.19 (7)	C9—C8—H8A	110.0
N2—Ni1—O1	176.83 (6)	N1—C8—H8B	110.0
N1—Ni1—O1	97.51 (6)	C9—C8—H8B	110.0
N2—Ni1—O2	85.41 (6)	H8A—C8—H8B	108.4
N1—Ni1—O2	170.42 (6)	O4—C9—N2	126.66 (18)
O1—Ni1—O2	91.94 (5)	O4—C9—C8	121.02 (16)
O7i—Co1—O7	180.000 (1)	N2—C9—C8	112.30 (16)
O7i—Co1—O8	87.11 (6)	N2—C10—C11	107.22 (14)
O7—Co1—O8	92.89 (6)	N2—C10—H10A	110.3
O7i—Co1—O8i	92.89 (6)	C11—C10—H10A	110.3
O7—Co1—O8i	87.11 (6)	N2—C10—H10B	110.3
O8—Co1—O8i	180.000 (1)	C11—C10—H10B	110.3
O7i—Co1—O6	87.25 (6)	H10A—C10—H10B	108.5
O7—Co1—O6	92.75 (6)	O3—C11—O2	123.75 (17)
O8—Co1—O6	90.07 (6)	O3—C11—C10	119.65 (16)
O8i—Co1—O6	89.93 (6)	O2—C11—C10	116.61 (15)
O7i—Co1—O6i	92.75 (6)	O5—C12—H12A	109.5
O7—Co1—O6i	87.25 (6)	O5—C12—H12B	109.5
O8—Co1—O6i	89.93 (6)	H12A—C12—H12B	109.5
O8i—Co1—O6i	90.07 (6)	O5—C12—H12C	109.5
O6—Co1—O6i	180.00 (6)	H12A—C12—H12C	109.5
O1—C1—C2	118.00 (16)	H12B—C12—H12C	109.5
O1—C1—C6	123.54 (17)	C7—N1—C8	119.95 (16)
C2—C1—C6	118.46 (17)	C7—N1—Ni1	125.62 (13)
C3—C2—C1	120.68 (18)	C8—N1—Ni1	114.43 (12)
C3—C2—H2	119.7	C9—N2—C10	124.56 (16)
C1—C2—H2	119.7	C9—N2—Ni1	119.54 (13)
O5—C3—C2	124.42 (18)	C10—N2—Ni1	115.88 (12)
O5—C3—C4	114.44 (17)	C1—O1—Ni1	125.20 (11)
C2—C3—C4	121.15 (18)	C11—O2—Ni1	114.57 (11)
C5—C4—C3	118.64 (18)	C3—O5—C12	118.60 (16)
C5—C4—H4	120.7	Co1—O6—H6A	111 (2)
C3—C4—H4	120.7	Co1—O6—H6B	120 (2)
C4—C5—C6	122.47 (18)	H6A—O6—H6B	113 (2)
C4—C5—H5	118.8	Co1—O7—H7A	121.4 (18)
C6—C5—H5	118.8	Co1—O7—H7B	117.0 (18)
C5—C6—C1	118.58 (17)	H7A—O7—H7B	109 (2)
C5—C6—C7	118.28 (17)	Co1—O8—H8C	121.2 (18)
C1—C6—C7	123.11 (17)	Co1—O8—H8D	115.3 (19)
N1—C7—C6	124.99 (17)	H8C—O8—H8D	111 (2)
N1—C7—H7	117.5	H9A—O9—H9B	109 (2)
C6—C7—H7	117.5	H10C—O10—H10D	111 (2)
N1—C8—C9	108.53 (15)	H11B—O11—H11A	107 (2)
N1—C8—H8A	110.0

D—H···A	D—H	H···A	D···A	D—H···A
O6—H6A···O9	0.83 (2)	1.97 (2)	2.796 (2)	171 (3)
O6—H6B···O2	0.85 (2)	1.96 (2)	2.809 (2)	175 (3)
O7—H7A···O3	0.85 (2)	1.89 (2)	2.721 (2)	164 (3)
O7—H7B···O4ii	0.84 (2)	2.01 (2)	2.835 (2)	167 (3)
O8—H8C···O10iii	0.83 (2)	1.91 (2)	2.733 (2)	170 (3)
O8—H8D···O11iii	0.84 (2)	1.93 (2)	2.756 (2)	167 (3)
O9—H9A···O11iv	0.85 (2)	2.03 (2)	2.871 (2)	170 (3)
O9—H9B···O4v	0.82 (2)	2.12 (2)	2.941 (2)	173 (3)
O10—H10C···O4vi	0.82 (2)	1.96 (2)	2.775 (2)	169 (3)
O10—H10D···O3vii	0.83 (2)	2.03 (2)	2.840 (2)	167 (3)
O11—H11B···O1viii	0.85 (2)	1.98 (2)	2.817 (2)	170 (3)
O11—H11A···O10ix	0.84 (2)	2.00 (2)	2.778 (2)	154 (3)

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O6—H6A⋯O9	0.831 (16)	1.973 (17)	2.796 (2)	171 (3)
O6—H6B⋯O2	0.848 (16)	1.964 (16)	2.809 (2)	175 (3)
O7—H7A⋯O3	0.854 (16)	1.890 (17)	2.721 (2)	164 (3)
O7—H7B⋯O4i	0.844 (16)	2.007 (17)	2.835 (2)	167 (3)
O8—H8C⋯O10ii	0.827 (16)	1.914 (17)	2.733 (2)	170 (3)
O8—H8D⋯O11ii	0.844 (16)	1.927 (17)	2.756 (2)	167 (3)
O9—H9A⋯O11iii	0.850 (17)	2.030 (17)	2.871 (2)	170 (3)
O9—H9B⋯O4iv	0.824 (17)	2.121 (18)	2.941 (2)	173 (3)
O10—H10C⋯O4v	0.822 (16)	1.963 (17)	2.775 (2)	169 (3)
O10—H10D⋯O3vi	0.831 (17)	2.025 (17)	2.840 (2)	167 (3)
O11—H11B⋯O1vii	0.850 (17)	1.976 (17)	2.817 (2)	170 (3)
O11—H11A⋯O10viii	0.841 (17)	1.999 (18)	2.778 (2)	154 (3)

Symmetry codes: (i) ; (ii) ; (iii) ; (iv) ; (v) ; (vi) ; (vii) ; (viii) .