Diaqua-1κO,3κO-di-μ-cyanido-1:2κ2N:C;2:3κ2C:N-dicyanido-2κ2N-bis­{4,4′-dibromo-2,2′-[propane-1,2-diylbis(nitrilo­methyl­idyne)]diphenolato}-1κ4O,N,N′,O′;3κ4O,N,N′,O′-1,3-dimanganese(III)-2-nickel(II)

Sun, Z.-H.; Yang, G.-B.; Meng, L.-B.; Chen, S.

doi:10.1107/S1600536808012749

metal-organic compounds

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ISSN: 2056-9890

Volume 64| Part 6| June 2008| Page m783

doi:10.1107/S1600536808012749

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Diaqua-1κO,3κO-di-μ-cyanido-1:2κ²N:C;2:3κ²C:N-dicyanido-2κ²N-bis{4,4′-dibromo-2,2′-[propane-1,2-diylbis(nitrilomethylidyne)]diphenolato}-1κ⁴O,N,N′,O′;3κ⁴O,N,N′,O′-1,3-dimanganese(III)-2-nickel(II)

Zhen-Hai Sun,^a ^* Gui-Bin Yang,^a Ling-Bo Meng ^a and Shen Chen ^a

^aSchool of Chemistry and Life Sciences, Harbin University, Harbin 150080, People's Republic of China
^*Correspondence e-mail: zhenhai_sun@sina.com

(Received 26 March 2008; accepted 30 April 2008; online 7 May 2008)

In the title compound, [Mn₂Ni(C₁₇H₁₄Br₂N₂O₂)₂(CN)₄(H₂O)₂] or [{Mn(C₁₇H₁₄Br₂N₂O₂)(H₂O)}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 molecule to give a slightly distorted octahedral 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_r = 1184.95
Monoclinic, P 2₁ /n
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[F² > 2σ(F²)] = 0.065
wR(F²) = 0.175
S = 1.00
3712 reflections
277 parameters
3 restraints
H atoms treated by a mixture of independent and constrained refinement
Δρ_max = 0.81 e Å⁻³
Δρ_min = −0.69 e Å⁻³

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) -x+1, -y+2, -z+1; (ii) $[x+{\script{1\over 2}}, -y+{\script{3\over 2}}, z+{\script{1\over 2}}]$ .

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.

Supporting information

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

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

checkCIF report

Comment top

Schiff bases as ligands have been studied for a long time due to their easy synthesis and versatile complexing abilities. They play an important role in the development of coordination chemistry as well as inorganic biochemistry, catalysis, optical materials and so on (Garnovskii et al., 1993; Huang et al., 2002). Considerable attention has been focused on the syntheses and structures of manganese(III) complexes. Manganese complexes with multidentate Schiff base ligands have aroused particular interest because this metal can exhibit several oxidation states and may provide the basis of models for active sites of biological systems. On the other hand, the main attention in optically active Schiff base complexes is concentrated on their catalytic abilities in stereoselective synthesis (Bhadbhade & Srinivas, 1993; Bunce et al., 1998). In this paper, we report the structure of the title compound, (I).

As shown in Fig. 1, 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 molecule to give a slightly distorted octahedral geometry, in which the Schiff base lies in the equatorial plane. Two such Mn^III ions are linked by a square-planar Ni(CN)₄ unit, which lies on an inversion centre. The cyanido and aqua ligands lie in the axial coordination sites. The Mn—N and Mn—O axial bond lengths are much longer than the equatorial ones. A two-dimensional network is formed by O—H···O and O—H···N hydrogen bonds, as shown in Fig. 2.

Related literature top

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

Experimental top

A mixture of manganese(III) acetate (1 mmol), N,N'-bis(2-hydroxy-5-bromobenzyl)-1,2-diaminopropane (1 mmol) and dipotassium tetracyanidonickelate(II) (1 mmol) in 20 ml me thanol was refluxed for two hours. The cooled solution was filtered and the filtrate was allowed to evaporate naturally at room temperature. Two day later, brown blocks of (I) were obtained with a yield of 16%. Anal. Calc. for C₃₈H₃₂Br₄Mn₂N₈NiO₆: C 38.48, H 2.70, N 9.45%; Found: C 38.42, H 2.64, N 9.38.

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, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Figures top

	Fig. 1. The molecular structure of (I), drawn with 30% probability displacement ellipsoids for the non-hydrogen atoms. [Symmetry code for unlabelled atoms: -x, 2 - y, -z.]
	Fig. 2. Two-dimensional network formed by hydrogen bonds (dashed lines).

Diaqua-1κO,3κO-di-µ-cyanido-1:2κ²N:C;2:3κ²C:N-dicyanido-2κ²N- bis{4,4'-dibromo-2,2'-[propane-1,2-diylbis(nitrilomethylidyne)]diphenolato}- 1κ⁴O,N,N',O';3κ⁴O,N,N',O'-1,3-dimanganese(III)-2-nickel(II) top

Crystal data top

[Mn₂Ni(C₁₇H₁₄Br₂N₂O₂)₂(CN)₄(H₂O)₂]	F(000) = 1164
M_r = 1184.95	D_x = 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 = 3.0–25.1°
b = 13.514 (3) Å	µ = 4.79 mm⁻¹
c = 14.741 (3) Å	T = 293 K
β = 112.04 (3)°	Block, brown
V = 2145.5 (7) Å³	0.12 × 0.10 × 0.08 mm
Z = 2

Data collection top

Bruker APEXII CCD area-detector diffractometer	3712 independent reflections
Radiation source: fine-focus sealed tube	2268 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.085
ϕ and ω scans	θ_max = 25.1°, θ_min = 3.0°
Absorption correction: multi-scan (SADABS; Bruker, 2001)	h = −13→12
T_min = 0.597, T_max = 0.700	k = −16→15
13467 measured reflections	l = −17→17

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)] = 0.065	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.175	H atoms treated by a mixture of independent and constrained refinement
S = 1.00	w = 1/[σ²(F_o²) + (0.085P)²] where P = (F_o² + 2F_c²)/3
3712 reflections	(Δ/σ)_max < 0.001
277 parameters	Δρ_max = 0.81 e Å⁻³
3 restraints	Δρ_min = −0.69 e Å⁻³

Crystal data top

[Mn₂Ni(C₁₇H₁₄Br₂N₂O₂)₂(CN)₄(H₂O)₂]	V = 2145.5 (7) Å³
M_r = 1184.95	Z = 2
Monoclinic, P2₁/n	Mo Kα radiation
a = 11.619 (2) Å	µ = 4.79 mm⁻¹
b = 13.514 (3) Å	T = 293 K
c = 14.741 (3) Å	0.12 × 0.10 × 0.08 mm
β = 112.04 (3)°

Data collection top

Bruker APEXII CCD area-detector diffractometer	3712 independent reflections
Absorption correction: multi-scan (SADABS; Bruker, 2001)	2268 reflections with I > 2σ(I)
T_min = 0.597, T_max = 0.700	R_int = 0.085
13467 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.065	3 restraints
wR(F²) = 0.175	H atoms treated by a mixture of independent and constrained refinement
S = 1.00	Δρ_max = 0.81 e Å⁻³
3712 reflections	Δρ_min = −0.69 e Å⁻³
277 parameters

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

	x	y	z	U_iso*/U_eq
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*

Atomic displacement parameters (Å²) top

	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)

Geometric parameters (Å, º) top

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

Symmetry code: (i) −x, −y+2, −z.

Hydrogen-bond geometry (Å, º) top

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)

Symmetry codes: (ii) −x+1, −y+2, −z+1; (iii) x+1/2, −y+3/2, z+1/2.

Experimental details

Crystal data
Chemical formula	[Mn₂Ni(C₁₇H₁₄Br₂N₂O₂)₂(CN)₄(H₂O)₂]
M_r	1184.95
Crystal system, space group	Monoclinic, P2₁/n
Temperature (K)	293
a, b, c (Å)	11.619 (2), 13.514 (3), 14.741 (3)
β (°)	112.04 (3)
V (Å³)	2145.5 (7)
Z	2
Radiation type	Mo Kα
µ (mm⁻¹)	4.79
Crystal size (mm)	0.12 × 0.10 × 0.08

Data collection
Diffractometer	Bruker APEXII CCD area-detector diffractometer
Absorption correction	Multi-scan (SADABS; Bruker, 2001)
T_min, T_max	0.597, 0.700
No. of measured, independent and observed [I > 2σ(I)] reflections	13467, 3712, 2268
R_int	0.085
(sin θ/λ)_max (Å⁻¹)	0.597

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.065, 0.175, 1.00
No. of reflections	3712
No. of parameters	277
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)	0.81, −0.69

Computer programs: APEX2 (Bruker, 2004), SAINT-Plus (Bruker, 2001), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).

Hydrogen-bond geometry (Å, º) top

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) −x+1, −y+2, −z+1; (ii) x+1/2, −y+3/2, z+1/2.

Acknowledgements

The authors thank Harbin University for financial support.

References

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