Diaqua-1κO,3κO-di-μ-cyanido-1:2κN:C;2:3κC:N-dicyanido-2κN-bis-{4,4'-dibromo-2,2'-[propane-1,2-diylbis(nitrilo-methyl-idyne)]diphenolato}-1κO,N,N',O';3κO,N,N',O'-1,3-dimanganese(III)-2-nickel(II).

In the title compound, [Mn(2)Ni(C(17)H(14)Br(2)N(2)O(2))(2)(CN)(4)(H(2)O)(2)] or [{Mn(C(17)H(14)Br(2)N(2)O(2))(H(2)O)}(2)(μ-CN)(2){Ni(CN)(2)}], each Mn(III) atom is chelated by a Schiff base ligand via two N and two O atoms and is additionally coordinated by a water mol-ecule to give a slightly distorted octa-hedral geometry. Two such Mn(III) ions are linked by a square-planar Ni(CN)(4) unit, which lies on an inversion centre. A two-dimensional network is formed by O-H⋯O and O-H⋯N hydrogen bonds.

Related literature

For related literature, see: Garnovskii et al. (1993 ▶); Huang et al. (2002 ▶); Bhadbhade & Srinivas (1993 ▶); Bunce et al. (1998 ▶).

Experimental

Crystal data

[Mn2Ni(C17H14Br2N2O2)2(CN)4(H2O)2]

M = 1184.95

Monoclinic,

a = 11.619 (2) Å

b = 13.514 (3) Å

c = 14.741 (3) Å

β = 112.04 (3)°

V = 2145.5 (7) Å3

Z = 2

Mo Kα radiation

μ = 4.79 mm−1

T = 293 (2) K

0.12 × 0.10 × 0.08 mm

Data collection

Bruker APEXII CCD area-detector diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2001 ▶) T min = 0.597, T max = 0.700

13467 measured reflections

3712 independent reflections

2268 reflections with I > 2σ(I)

R int = 0.085

Refinement

R[F 2 > 2σ(F 2)] = 0.065

wR(F 2) = 0.175

S = 1.00

3712 reflections

277 parameters

3 restraints

H atoms treated by a mixture of independent and constrained refinement

Δρmax = 0.81 e Å−3

Δρmin = −0.69 e Å−3

Data collection: APEX2 (Bruker, 2004 ▶); cell refinement: SAINT-Plus (Bruker, 2001 ▶); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL (Sheldrick, 2008 ▶); software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536808012749/cf2192sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808012749/cf2192Isup2.hkl

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

[Mn2Ni(C17H14Br2N2O2)2(CN)4(H2O)2]	F000 = 1164
Mr = 1184.95	Dx = 1.834 Mg m−3
Monoclinic, P21/n	Mo Kα radiation λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 3712 reflections
a = 11.619 (2) Å	θ = 3.0–25.1º
b = 13.514 (3) Å	µ = 4.79 mm−1
c = 14.741 (3) Å	T = 293 (2) K
β = 112.04 (3)º	Block, brown
V = 2145.5 (7) Å3	0.12 × 0.10 × 0.08 mm
Z = 2

Bruker APEXII CCD area-detector diffractometer	3712 independent reflections
Radiation source: fine-focus sealed tube	2268 reflections with I > 2σ(I)
Monochromator: graphite	Rint = 0.085
T = 293(2) K	θmax = 25.1º
φ and ω scans	θmin = 3.0º
Absorption correction: multi-scan(SADABS; Bruker, 2001)	h = −13→12
Tmin = 0.597, Tmax = 0.700	k = −16→15
13467 measured reflections	l = −17→17

Refinement on F2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.065	H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.175	w = 1/[σ2(Fo2) + (0.085P)2] where P = (Fo2 + 2Fc2)/3
S = 1.00	(Δ/σ)max < 0.001
3712 reflections	Δρmax = 0.81 e Å−3
277 parameters	Δρmin = −0.69 e Å−3
3 restraints	Extinction correction: none
Primary atom site location: structure-invariant direct methods

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	0.0000	1.0000	0.0000	0.0349 (4)
Mn1	0.29546 (11)	0.95323 (8)	0.36729 (8)	0.0306 (4)
Br2	−0.07326 (10)	1.37224 (7)	0.43825 (7)	0.0583 (4)
Br4	0.75942 (10)	0.61247 (7)	0.30713 (8)	0.0636 (4)
C1	0.1213 (8)	0.9936 (5)	0.1259 (5)	0.036 (2)
C2	−0.0637 (8)	0.8806 (6)	0.0275 (6)	0.039 (2)
C3	0.2230 (8)	1.1458 (5)	0.4133 (5)	0.035 (2)
C4	0.2475 (8)	1.2492 (5)	0.4247 (5)	0.0338 (19)
H4	0.3241	1.2728	0.4279	0.041*
C5	0.1609 (9)	1.3147 (6)	0.4311 (6)	0.043 (2)
H5	0.1781	1.3821	0.4359	0.052*
C6	0.0470 (9)	1.2810 (6)	0.4305 (6)	0.043 (2)
C7	0.0187 (9)	1.1818 (6)	0.4197 (6)	0.046 (2)
H7	−0.0578	1.1601	0.4184	0.056*
C8	0.1033 (8)	1.1135 (5)	0.4107 (6)	0.038 (2)
C9	0.0682 (8)	1.0107 (6)	0.3967 (6)	0.037 (2)
H9	−0.0076	0.9939	0.4003	0.045*
C10	0.0874 (10)	0.8352 (6)	0.3699 (9)	0.070 (3)
H10A	0.1148	0.8044	0.4340	0.084*
H10B	−0.0026	0.8335	0.3419	0.084*
C11	0.1358 (9)	0.7815 (6)	0.3084 (9)	0.069 (3)
H11	0.0896	0.8087	0.2432	0.082*
C12	0.1046 (9)	0.6736 (6)	0.2966 (8)	0.063 (3)
H12A	0.1564	0.6386	0.3541	0.094*
H12B	0.1185	0.6485	0.2406	0.094*
H12C	0.0190	0.6645	0.2874	0.094*
C13	0.3444 (7)	0.7543 (5)	0.3197 (5)	0.034 (2)
H13	0.3200	0.6888	0.3050	0.041*
C14	0.4691 (7)	0.7788 (5)	0.3300 (5)	0.035 (2)
C15	0.5439 (8)	0.7030 (6)	0.3193 (5)	0.039 (2)
H15	0.5142	0.6384	0.3117	0.047*
C16	0.6589 (9)	0.7208 (7)	0.3196 (6)	0.050 (3)
C17	0.7050 (9)	0.8158 (7)	0.3290 (6)	0.050 (2)
H17	0.7826	0.8279	0.3265	0.060*
C18	0.6340 (8)	0.8932 (6)	0.3422 (6)	0.041 (2)
H18	0.6660	0.9571	0.3508	0.049*
C19	0.5152 (8)	0.8769 (6)	0.3428 (5)	0.034 (2)
N1	0.1906 (6)	0.9902 (4)	0.2061 (4)	0.0384 (18)
N2	−0.0940 (7)	0.8037 (5)	0.0442 (5)	0.048 (2)
N3	0.1310 (6)	0.9397 (5)	0.3797 (5)	0.0411 (18)
N4	0.2646 (6)	0.8130 (4)	0.3287 (4)	0.0316 (16)
O1	0.4523 (5)	0.9530 (3)	0.3561 (3)	0.0328 (13)
O2	0.3094 (5)	1.0873 (3)	0.4049 (4)	0.0327 (13)
O3	0.3787 (5)	0.9022 (4)	0.5249 (4)	0.0368 (14)
H1W	0.434 (5)	0.942 (4)	0.552 (7)	0.080*
H2W	0.398 (7)	0.8437 (15)	0.533 (7)	0.080*

	U11	U22	U33	U12	U13	U23
Ni1	0.0383 (9)	0.0266 (8)	0.0214 (7)	−0.0002 (6)	−0.0099 (6)	0.0005 (6)
Mn1	0.0332 (7)	0.0231 (6)	0.0221 (6)	0.0005 (5)	−0.0051 (5)	−0.0009 (5)
Br2	0.0739 (8)	0.0485 (6)	0.0467 (6)	0.0242 (5)	0.0159 (5)	−0.0025 (4)
Br4	0.0553 (7)	0.0701 (7)	0.0566 (7)	0.0211 (5)	0.0109 (5)	−0.0140 (5)
C1	0.055 (6)	0.013 (4)	0.028 (4)	−0.001 (4)	0.003 (4)	0.000 (3)
C2	0.039 (5)	0.035 (5)	0.024 (4)	0.003 (4)	−0.010 (4)	0.000 (4)
C3	0.037 (5)	0.029 (4)	0.023 (4)	0.006 (4)	−0.006 (4)	−0.003 (3)
C4	0.041 (5)	0.032 (4)	0.020 (4)	−0.008 (4)	0.001 (4)	0.001 (3)
C5	0.060 (6)	0.030 (5)	0.032 (5)	0.010 (4)	0.009 (4)	−0.004 (4)
C6	0.059 (6)	0.026 (4)	0.033 (5)	0.006 (4)	0.004 (4)	0.001 (4)
C7	0.053 (6)	0.057 (6)	0.023 (4)	0.008 (5)	0.006 (4)	−0.007 (4)
C8	0.044 (5)	0.031 (5)	0.025 (4)	0.009 (4)	−0.003 (4)	0.000 (3)
C9	0.035 (5)	0.037 (5)	0.033 (4)	0.000 (4)	0.006 (4)	−0.003 (4)
C10	0.069 (8)	0.043 (6)	0.112 (10)	−0.017 (5)	0.049 (7)	−0.028 (6)
C11	0.047 (7)	0.040 (6)	0.117 (10)	−0.004 (5)	0.030 (6)	−0.027 (6)
C12	0.063 (7)	0.041 (5)	0.077 (7)	−0.007 (5)	0.019 (6)	−0.010 (5)
C13	0.042 (5)	0.019 (4)	0.029 (4)	0.001 (4)	0.001 (4)	−0.002 (3)
C14	0.035 (5)	0.035 (5)	0.022 (4)	0.008 (4)	−0.002 (4)	−0.007 (3)
C15	0.047 (6)	0.038 (5)	0.020 (4)	0.003 (4)	0.000 (4)	0.001 (3)
C16	0.053 (6)	0.053 (6)	0.028 (5)	0.020 (5)	−0.003 (4)	−0.008 (4)
C17	0.045 (6)	0.055 (6)	0.045 (6)	−0.001 (5)	0.012 (5)	−0.010 (5)
C18	0.044 (6)	0.046 (5)	0.026 (4)	−0.002 (4)	0.006 (4)	−0.004 (4)
C19	0.037 (5)	0.042 (5)	0.011 (4)	0.009 (4)	−0.005 (3)	−0.003 (3)
N1	0.045 (4)	0.027 (3)	0.025 (4)	−0.006 (3)	−0.009 (3)	0.000 (3)
N2	0.058 (5)	0.030 (4)	0.039 (4)	−0.010 (4)	0.000 (4)	−0.004 (3)
N3	0.038 (4)	0.033 (4)	0.045 (4)	−0.002 (3)	0.007 (3)	−0.010 (3)
N4	0.030 (4)	0.028 (4)	0.027 (4)	0.000 (3)	0.000 (3)	−0.001 (3)
O1	0.032 (3)	0.030 (3)	0.026 (3)	0.003 (2)	−0.001 (2)	0.001 (2)
O2	0.034 (3)	0.029 (3)	0.027 (3)	0.001 (2)	0.002 (2)	0.001 (2)
O3	0.042 (4)	0.029 (3)	0.025 (3)	−0.003 (3)	−0.004 (3)	−0.003 (2)

Ni1—C1	1.865 (8)	C9—H9	0.930
Ni1—C1i	1.865 (8)	C10—C11	1.431 (13)
Ni1—C2i	1.882 (9)	C10—N3	1.489 (10)
Ni1—C2	1.882 (9)	C10—H10A	0.970
Mn1—O2	1.884 (5)	C10—H10B	0.970
Mn1—O1	1.890 (6)	C11—N4	1.475 (11)
Mn1—N4	1.973 (6)	C11—C12	1.497 (11)
Mn1—N3	1.995 (7)	C11—H11	0.980
Mn1—O3	2.264 (5)	C12—H12A	0.960
Mn1—N1	2.282 (6)	C12—H12B	0.960
Br2—C6	1.899 (9)	C12—H12C	0.960
Br4—C16	1.925 (9)	C13—N4	1.265 (9)
C1—N1	1.154 (9)	C13—C14	1.438 (11)
C2—N2	1.153 (9)	C13—H13	0.930
C3—O2	1.319 (9)	C14—C15	1.389 (11)
C3—C4	1.423 (10)	C14—C19	1.415 (10)
C3—C8	1.443 (12)	C15—C16	1.356 (12)
C4—C5	1.370 (11)	C15—H15	0.930
C4—H4	0.930	C16—C17	1.378 (12)
C5—C6	1.397 (12)	C17—C18	1.391 (12)
C5—H5	0.930	C17—H17	0.930
C6—C7	1.375 (11)	C18—C19	1.401 (12)
C7—C8	1.390 (11)	C18—H18	0.930
C7—H7	0.930	C19—O1	1.319 (9)
C8—C9	1.442 (10)	O3—H1W	0.82 (7)
C9—N3	1.286 (10)	O3—H2W	0.82 (4)
C1—Ni1—C1i	180	N3—C10—H10B	109.7
C1—Ni1—C2i	92.5 (3)	H10A—C10—H10B	108.2
C1i—Ni1—C2i	87.5 (3)	C10—C11—N4	109.6 (8)
C1—Ni1—C2	87.5 (3)	C10—C11—C12	115.6 (9)
C1i—Ni1—C2	92.5 (3)	N4—C11—C12	119.2 (8)
C2i—Ni1—C2	180	C10—C11—H11	103.4
O2—Mn1—O1	92.8 (2)	N4—C11—H11	103.4
O2—Mn1—N4	174.4 (3)	C12—C11—H11	103.4
O1—Mn1—N4	92.9 (2)	C11—C12—H12A	109.5
O2—Mn1—N3	92.3 (2)	C11—C12—H12B	109.5
O1—Mn1—N3	174.6 (2)	H12A—C12—H12B	109.5
N4—Mn1—N3	82.0 (3)	C11—C12—H12C	109.5
O2—Mn1—O3	92.0 (2)	H12A—C12—H12C	109.5
O1—Mn1—O3	92.0 (2)	H12B—C12—H12C	109.5
N4—Mn1—O3	88.0 (2)	N4—C13—C14	126.4 (7)
N3—Mn1—O3	86.2 (3)	N4—C13—H13	116.8
O2—Mn1—N1	92.8 (2)	C14—C13—H13	116.8
O1—Mn1—N1	93.7 (2)	C15—C14—C19	119.0 (8)
N4—Mn1—N1	86.7 (2)	C15—C14—C13	117.8 (7)
N3—Mn1—N1	87.7 (3)	C19—C14—C13	123.1 (7)
O3—Mn1—N1	172.4 (2)	C16—C15—C14	121.7 (8)
N1—C1—Ni1	175.8 (8)	C16—C15—H15	119.1
N2—C2—Ni1	174.3 (8)	C14—C15—H15	119.1
O2—C3—C4	118.2 (7)	C15—C16—C17	120.8 (9)
O2—C3—C8	125.2 (7)	C15—C16—Br4	119.8 (7)
C4—C3—C8	116.6 (7)	C17—C16—Br4	119.4 (8)
C5—C4—C3	121.5 (8)	C16—C17—C18	119.0 (9)
C5—C4—H4	119.2	C16—C17—H17	120.5
C3—C4—H4	119.2	C18—C17—H17	120.5
C4—C5—C6	120.5 (7)	C17—C18—C19	121.4 (8)
C4—C5—H5	119.8	C17—C18—H18	119.3
C6—C5—H5	119.8	C19—C18—H18	119.3
C7—C6—C5	120.2 (8)	O1—C19—C18	118.7 (7)
C7—C6—Br2	119.4 (7)	O1—C19—C14	123.2 (8)
C5—C6—Br2	120.3 (6)	C18—C19—C14	118.1 (7)
C6—C7—C8	120.8 (9)	C1—N1—Mn1	165.7 (7)
C6—C7—H7	119.6	C9—N3—C10	121.9 (8)
C8—C7—H7	119.6	C9—N3—Mn1	125.6 (6)
C7—C8—C9	118.8 (8)	C10—N3—Mn1	112.4 (5)
C7—C8—C3	120.4 (7)	C13—N4—C11	121.7 (6)
C9—C8—C3	120.8 (7)	C13—N4—Mn1	124.9 (6)
N3—C9—C8	126.6 (8)	C11—N4—Mn1	113.3 (5)
N3—C9—H9	116.7	C19—O1—Mn1	128.4 (5)
C8—C9—H9	116.7	C3—O2—Mn1	128.3 (5)
C11—C10—N3	109.9 (8)	Mn1—O3—H1W	105 (7)
C11—C10—H10A	109.7	Mn1—O3—H2W	116 (7)
N3—C10—H10A	109.7	H1W—O3—H2W	116 (8)
C11—C10—H10B	109.7

D—H···A	D—H	H···A	D···A	D—H···A
O3—H1W···O1ii	0.82 (7)	2.06 (7)	2.860 (7)	165 (10)
O3—H2W···N2iii	0.82 (4)	2.00 (2)	2.803 (8)	167 (8)

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O3—H1W⋯O1i	0.82 (7)	2.06 (7)	2.860 (7)	165 (10)
O3—H2W⋯N2ii	0.82 (4)	2.00 (2)	2.803 (8)	167 (8)

Symmetry codes: (i) ; (ii) .