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

Zhang, X.; Wei, P.; Li, B.

doi:10.1107/S1600536808017893

metal-organic compounds

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ISSN: 2056-9890

Volume 64| Part 7| July 2008| Page m926

doi:10.1107/S1600536808017893

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RETRACTED ARTICLE

This article has been retracted. To view the retraction notice, click here.

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

Xiutang Zhang,^a Peihai Wei ^a ^* and Bin Li ^a

^aDepartment of Chemistry and Chemical Engineering, ShanDong Institute of Education, Jinan 250013, People's Republic of China
^*Correspondence e-mail: weipeihai@yahoo.com.cn

(Received 9 June 2008; accepted 12 June 2008; online 19 June 2008)

The title compound, [Fe₂Ni(C₁₇H₁₄Br₂N₂O₂)₂(CN)₄(H₂O)₂] or [{Fe(C₁₇H₁₄Br₂N₂O₂)(H₂O)}₂(μ-CN)₂{Ni(CN)₂}], is isostructural with its Mn^III-containing analogue. Each Fe^III atom is chelated by a Schiff base ligand via two N and two O atoms and is additionally coordinated by a water molecule, forming a slightly distorted octahedral geometry. The two Fe^III centres are bridged by a square-planar Ni(CN)₄ unit, which lies on an inversion centre. A two-dimensional network is formed via O—H⋯O and O—H⋯N hydrogen bonds.

Related literature

For related literature, see: Kuang et al. (2002 ); Kuchar et al. (2003 ); Yang et al. (2003 ). For the isostructural Mn^III-containing compound, see: Sun et al. (2008 ).

Experimental

Crystal data

[Fe₂Ni(C₁₇H₁₄Br₂N₂O₂)₂(CN)₄(H₂O)₂]
M_r = 1186.71
Monoclinic, P 2₁ /n
a = 11.599 (2) Å
b = 13.538 (3) Å
c = 14.715 (3) Å
β = 112.04 (3)°
V = 2141.8 (7) Å³
Z = 2
Mo Kα radiation
μ = 4.89 mm⁻¹
T = 293 (2) K
0.10 × 0.10 × 0.10 mm

Data collection

Bruker APEXII CCD diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2001 ) T_min = 0.449, T_max = 0.641
13404 measured reflections
3699 independent reflections
2263 reflections with I > 2σ(I)
R_int = 0.085

Refinement

R[F² > 2σ(F²)] = 0.066
wR(F²) = 0.181
S = 1.00
3699 reflections
276 parameters
3 restraints
H atoms treated by a mixture of independent and constrained refinement
Δρ_max = 0.96 e Å⁻³
Δρ_min = −0.64 e Å⁻³

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O3—H1W⋯O1ⁱ	0.81 (2)	2.09 (4)	2.859 (7)	159 (8)
O3—H2W⋯N2ⁱⁱ	0.81 (2)	2.02 (2)	2.813 (9)	167 (7)
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 global, I. DOI: 10.1107/S1600536808017893/cf2205sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536808017893/cf2205Isup2.hkl

checkCIF report

Comment top

Cyanide-bridged oligonuclear complexes with chain-like arrangements of metal ions and cyanide ligands have been studied for a long time due to the good electronic conductivity between the metallic groups (Kuang et al., 2002; Kuchar et al., 2003; Yang et al., 2003). In this context, bulk properties such as magnetism, luminescence, electrical conductivity resulting from metal-metal charge transfer like multi-redox steps, mixed valence and long-range electronic interactions prompted us to report our research work on cyanide-bridged complexes. In this paper, we report the structure of the title compound, (I). It is isostructural with its Mn^III-containing analogue (Sun et al., 2008).

As shown in Fig. 1, each Fe^III atom is chelated by a Schiff base ligand via two N and two O atoms and is additionally coordinated by a water molecule, forming a slightly distorted octahedral geometry. The Schiff base lies in the equatorial plane, and the cyanido and aqua ligands lie in the axial coordination sites. The Fe—N and Fe—O axial bond lengths are much longer than the equatorial ones. A centrosymmetric square-planar Ni(CN)₄ unit links two Fe^III centres. With O—H···O and O—H···N hydrogen bonds, a two-dimensional network is formed, as shown in Fig. 2.

Related literature top

For related literature, see: Kuang et al. (2002); Kuchar et al. (2003); Yang et al. (2003). For the isostructural Mn^III-containing compound, see: Sun et al. (2008).

Experimental top

A mixture of iron(III) acetylacetonate (1 mmol), N,N'-bis(2-hydroxy-5-bromobenzyl)-1,2-diaminopropane (1 mmol), and dipotassium tetracyanidonickelate(II) (1 mmol) in 20 ml methanol was refluxed for several hours. The cooled solution was filtered and the filtrate was kept in an ice box. One week later, brown blocks of (I) were obtained with a yield of 5%. Anal. Calc. for C₃₈H₃₂Br₄Fe₂N₈NiO₆: C 38.43, H 2.70, N 9.44%; Found: C 38.40, H 2.63, N 9.39.

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-2κ²C- bis{4,4'-dibromo-2,2'-[propane-1,2-diylbis(nitrilomethylidyne)]diphenolato}- 1κ⁴O,N,N',O';3κ⁴O,N,N', O'-1,3-diiron(III)-2-nickel(II) top

Crystal data top

[Fe₂Ni(C₁₇H₁₄Br₂N₂O₂)₂(CN)₄(H₂O)₂]	F(000) = 1168
M_r = 1186.71	D_x = 1.840 Mg m⁻³
Monoclinic, P2₁/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 3699 reflections
a = 11.599 (2) Å	θ = 3.0–25.1°
b = 13.538 (3) Å	µ = 4.89 mm⁻¹
c = 14.715 (3) Å	T = 293 K
β = 112.04 (3)°	Block, brown
V = 2141.8 (7) Å³	0.10 × 0.10 × 0.10 mm
Z = 2

Data collection top

Bruker APEXII CCD diffractometer	3699 independent reflections
Radiation source: fine-focus sealed tube	2263 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 = 0.449, T_max = 0.641	k = −16→15
13404 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)] = 0.066	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.181	H atoms treated by a mixture of independent and constrained refinement
S = 1.00	w = 1/[σ²(F_o²) + (0.09P)²] where P = (F_o² + 2F_c²)/3
3699 reflections	(Δ/σ)_max < 0.001
276 parameters	Δρ_max = 0.96 e Å⁻³
3 restraints	Δρ_min = −0.64 e Å⁻³

Crystal data top

[Fe₂Ni(C₁₇H₁₄Br₂N₂O₂)₂(CN)₄(H₂O)₂]	V = 2141.8 (7) Å³
M_r = 1186.71	Z = 2
Monoclinic, P2₁/n	Mo Kα radiation
a = 11.599 (2) Å	µ = 4.89 mm⁻¹
b = 13.538 (3) Å	T = 293 K
c = 14.715 (3) Å	0.10 × 0.10 × 0.10 mm
β = 112.04 (3)°

Data collection top

Bruker APEXII CCD diffractometer	3699 independent reflections
Absorption correction: multi-scan (SADABS; Bruker, 2001)	2263 reflections with I > 2σ(I)
T_min = 0.449, T_max = 0.641	R_int = 0.085
13404 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.066	3 restraints
wR(F²) = 0.181	H atoms treated by a mixture of independent and constrained refinement
S = 1.00	Δρ_max = 0.96 e Å⁻³
3699 reflections	Δρ_min = −0.64 e Å⁻³
276 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
Fe1	0.29547 (11)	0.95323 (8)	0.36728 (8)	0.0341 (4)
Ni1	0.0000	1.0000	0.0000	0.0334 (4)
Br1	−0.07330 (10)	1.37221 (7)	0.43825 (7)	0.0569 (4)
Br2	0.75936 (10)	0.61244 (8)	0.30711 (8)	0.0621 (4)
C1	0.1210 (8)	0.9936 (5)	0.1261 (6)	0.035 (2)
C2	−0.0637 (8)	0.8804 (6)	0.0276 (6)	0.037 (2)
C3	0.2234 (8)	1.1459 (6)	0.4134 (6)	0.034 (2)
C4	0.2476 (8)	1.2492 (5)	0.4247 (5)	0.033 (2)
H4	0.3242	1.2728	0.4277	0.039*
C5	0.1608 (9)	1.3146 (6)	0.4311 (6)	0.042 (2)
H5	0.1780	1.3819	0.4362	0.050*
C6	0.0471 (9)	1.2807 (6)	0.4303 (6)	0.042 (2)
C7	0.0185 (9)	1.1818 (6)	0.4197 (6)	0.045 (2)
H7	−0.0581	1.1603	0.4187	0.054*
C8	0.1029 (8)	1.1136 (5)	0.4104 (6)	0.037 (2)
C9	0.0680 (8)	1.0105 (6)	0.3966 (6)	0.035 (2)
H9	−0.0079	0.9939	0.4004	0.042*
C10	0.0874 (10)	0.8350 (7)	0.3700 (9)	0.067 (3)
H10A	0.1154	0.8044	0.4343	0.080*
H10B	−0.0028	0.8331	0.3424	0.080*
C11	0.1355 (9)	0.7815 (7)	0.3082 (9)	0.067 (3)
H11	0.0893	0.8088	0.2429	0.080*
C12	0.1048 (10)	0.6739 (6)	0.2961 (8)	0.060 (3)
H12A	0.1567	0.6390	0.3537	0.091*
H12B	0.1188	0.6491	0.2400	0.091*
H12C	0.0191	0.6646	0.2869	0.091*
C13	0.3443 (8)	0.7546 (5)	0.3198 (5)	0.032 (2)
H13	0.3196	0.6893	0.3047	0.039*
C14	0.4688 (8)	0.7786 (6)	0.3302 (5)	0.033 (2)
C15	0.5437 (9)	0.7030 (6)	0.3193 (5)	0.038 (2)
H15	0.5141	0.6384	0.3116	0.046*
C16	0.6591 (9)	0.7209 (7)	0.3197 (6)	0.049 (3)
C17	0.7053 (9)	0.8158 (7)	0.3289 (6)	0.048 (2)
H17	0.7829	0.8280	0.3262	0.058*
C18	0.6337 (8)	0.8932 (6)	0.3422 (6)	0.039 (2)
H18	0.6657	0.9570	0.3509	0.047*
C19	0.5155 (8)	0.8770 (6)	0.3428 (5)	0.033 (2)
N1	0.1906 (7)	0.9903 (4)	0.2063 (5)	0.0368 (18)
N2	−0.0938 (7)	0.8039 (5)	0.0441 (5)	0.046 (2)
N3	0.1306 (6)	0.9396 (5)	0.3796 (5)	0.0400 (18)
N4	0.2649 (6)	0.8131 (4)	0.3289 (4)	0.0294 (16)
O1	0.4524 (5)	0.9530 (3)	0.3561 (4)	0.0309 (13)
O2	0.3095 (5)	1.0870 (4)	0.4047 (4)	0.0308 (13)
O3	0.3783 (5)	0.9024 (4)	0.5250 (4)	0.0352 (14)
H1W	0.433 (5)	0.942 (3)	0.547 (6)	0.042*
H2W	0.397 (6)	0.8444 (16)	0.530 (6)	0.042*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Fe1	0.0365 (8)	0.0271 (7)	0.0247 (6)	0.0005 (5)	−0.0045 (5)	−0.0009 (5)
Ni1	0.0368 (9)	0.0254 (8)	0.0201 (7)	−0.0002 (6)	−0.0101 (6)	0.0006 (6)
Br1	0.0723 (8)	0.0473 (6)	0.0454 (6)	0.0242 (5)	0.0155 (5)	−0.0023 (5)
Br2	0.0537 (7)	0.0690 (8)	0.0549 (7)	0.0211 (5)	0.0105 (5)	−0.0137 (5)
C1	0.054 (6)	0.012 (4)	0.029 (5)	−0.002 (4)	0.003 (4)	0.000 (3)
C2	0.036 (5)	0.032 (5)	0.024 (4)	0.002 (4)	−0.010 (4)	0.000 (4)
C3	0.037 (5)	0.029 (4)	0.022 (4)	0.004 (4)	−0.007 (4)	−0.003 (3)
C4	0.039 (5)	0.031 (4)	0.018 (4)	−0.008 (4)	−0.001 (4)	0.001 (3)
C5	0.060 (7)	0.028 (5)	0.031 (5)	0.011 (5)	0.010 (5)	−0.004 (4)
C6	0.056 (6)	0.026 (5)	0.032 (5)	0.006 (4)	0.005 (4)	0.001 (4)
C7	0.052 (6)	0.054 (6)	0.022 (4)	0.011 (5)	0.005 (4)	−0.006 (4)
C8	0.044 (6)	0.030 (5)	0.024 (4)	0.009 (4)	−0.002 (4)	0.001 (3)
C9	0.031 (5)	0.038 (5)	0.030 (4)	0.001 (4)	0.004 (4)	−0.004 (4)
C10	0.064 (7)	0.043 (6)	0.104 (9)	−0.016 (5)	0.045 (7)	−0.025 (6)
C11	0.047 (7)	0.040 (6)	0.112 (10)	−0.004 (5)	0.030 (7)	−0.028 (6)
C12	0.059 (7)	0.039 (5)	0.076 (8)	−0.008 (5)	0.017 (6)	−0.008 (5)
C13	0.040 (5)	0.019 (4)	0.027 (4)	0.000 (4)	−0.001 (4)	−0.001 (3)
C14	0.034 (5)	0.034 (5)	0.020 (4)	0.009 (4)	−0.003 (4)	−0.008 (3)
C15	0.047 (6)	0.038 (5)	0.019 (4)	0.001 (4)	−0.001 (4)	0.000 (3)
C16	0.053 (6)	0.052 (6)	0.025 (5)	0.020 (5)	−0.004 (4)	−0.009 (4)
C17	0.043 (6)	0.054 (6)	0.043 (6)	−0.001 (5)	0.013 (5)	−0.011 (5)
C18	0.042 (6)	0.045 (5)	0.025 (4)	−0.003 (4)	0.006 (4)	−0.004 (4)
C19	0.035 (5)	0.043 (5)	0.010 (4)	0.010 (4)	−0.005 (3)	−0.003 (3)
N1	0.042 (4)	0.026 (4)	0.024 (4)	−0.007 (3)	−0.009 (3)	0.000 (3)
N2	0.055 (5)	0.029 (4)	0.037 (4)	−0.008 (4)	−0.001 (4)	−0.005 (3)
N3	0.038 (4)	0.033 (4)	0.043 (4)	−0.003 (3)	0.007 (4)	−0.011 (3)
N4	0.028 (4)	0.026 (4)	0.026 (4)	0.000 (3)	0.000 (3)	−0.001 (3)
O1	0.031 (3)	0.028 (3)	0.023 (3)	0.002 (2)	−0.001 (2)	0.001 (2)
O2	0.031 (3)	0.028 (3)	0.025 (3)	0.001 (2)	0.001 (2)	0.001 (2)
O3	0.040 (4)	0.025 (3)	0.025 (3)	−0.004 (3)	−0.004 (3)	−0.003 (3)

Geometric parameters (Å, º) top

Fe1—O2	1.882 (5)	C9—H9	0.930
Fe1—O1	1.888 (6)	C10—C11	1.430 (13)
Fe1—N4	1.973 (6)	C10—N3	1.490 (11)
Fe1—N3	1.996 (7)	C10—H10A	0.970
Fe1—O3	2.261 (5)	C10—H10B	0.970
Fe1—N1	2.276 (6)	C11—N4	1.478 (11)
Ni1—C1ⁱ	1.862 (8)	C11—C12	1.494 (11)
Ni1—C1	1.862 (8)	C11—H11	0.980
Ni1—C2	1.886 (9)	C12—H12A	0.960
Ni1—C2ⁱ	1.886 (9)	C12—H12B	0.960
Br1—C6	1.903 (9)	C12—H12C	0.960
Br2—C16	1.924 (9)	C13—N4	1.260 (9)
C1—N1	1.154 (10)	C13—C14	1.431 (11)
C2—N2	1.148 (9)	C13—H13	0.930
C3—O2	1.322 (9)	C14—C15	1.390 (11)
C3—C4	1.423 (10)	C14—C19	1.424 (11)
C3—C8	1.449 (12)	C15—C16	1.359 (13)
C4—C5	1.371 (11)	C15—H15	0.930
C4—H4	0.930	C16—C17	1.378 (12)
C5—C6	1.393 (13)	C17—C18	1.396 (12)
C5—H5	0.930	C17—H17	0.930
C6—C7	1.374 (11)	C18—C19	1.392 (12)
C7—C8	1.389 (12)	C18—H18	0.930
C7—H7	0.930	C19—O1	1.318 (9)
C8—C9	1.445 (10)	O3—H1W	0.80 (6)
C9—N3	1.284 (10)	O3—H2W	0.81 (2)

O2—Fe1—O1	92.7 (2)	N3—C10—H10B	109.6
O2—Fe1—N4	174.5 (3)	H10A—C10—H10B	108.2
O1—Fe1—N4	92.8 (3)	C10—C11—N4	109.3 (8)
O2—Fe1—N3	92.5 (2)	C10—C11—C12	115.9 (10)
O1—Fe1—N3	174.6 (2)	N4—C11—C12	119.0 (8)
N4—Fe1—N3	82.0 (3)	C10—C11—H11	103.5
O2—Fe1—O3	92.1 (2)	N4—C11—H11	103.5
O1—Fe1—O3	92.1 (2)	C12—C11—H11	103.5
N4—Fe1—O3	87.8 (2)	C11—C12—H12A	109.5
N3—Fe1—O3	86.1 (3)	C11—C12—H12B	109.5
O2—Fe1—N1	92.7 (2)	H12A—C12—H12B	109.5
O1—Fe1—N1	93.8 (2)	C11—C12—H12C	109.5
N4—Fe1—N1	86.9 (2)	H12A—C12—H12C	109.5
N3—Fe1—N1	87.6 (3)	H12B—C12—H12C	109.5
O3—Fe1—N1	172.3 (2)	N4—C13—C14	126.5 (7)
C1ⁱ—Ni1—C1	180.0 (4)	N4—C13—H13	116.8
C1ⁱ—Ni1—C2	92.6 (3)	C14—C13—H13	116.8
C1—Ni1—C2	87.4 (3)	C15—C14—C19	118.8 (8)
C1ⁱ—Ni1—C2ⁱ	87.4 (3)	C15—C14—C13	118.0 (7)
C1—Ni1—C2ⁱ	92.6 (3)	C19—C14—C13	123.0 (7)
C2—Ni1—C2ⁱ	180.000 (1)	C16—C15—C14	121.7 (8)
N1—C1—Ni1	176.0 (9)	C16—C15—H15	119.2
N2—C2—Ni1	174.3 (8)	C14—C15—H15	119.2
O2—C3—C4	118.7 (8)	C15—C16—C17	120.9 (9)
O2—C3—C8	124.7 (7)	C15—C16—Br2	119.5 (7)
C4—C3—C8	116.5 (7)	C17—C16—Br2	119.6 (8)
C5—C4—C3	121.7 (8)	C16—C17—C18	118.9 (9)
C5—C4—H4	119.2	C16—C17—H17	120.5
C3—C4—H4	119.2	C18—C17—H17	120.5
C4—C5—C6	120.3 (8)	C19—C18—C17	121.5 (8)
C4—C5—H5	119.9	C19—C18—H18	119.2
C6—C5—H5	119.9	C17—C18—H18	119.2
C7—C6—C5	120.6 (8)	O1—C19—C18	118.8 (8)
C7—C6—Br1	119.4 (7)	O1—C19—C14	123.0 (8)
C5—C6—Br1	119.9 (6)	C18—C19—C14	118.2 (8)
C6—C7—C8	120.7 (9)	C1—N1—Fe1	165.6 (7)
C6—C7—H7	119.7	C9—N3—C10	122.3 (8)
C8—C7—H7	119.7	C9—N3—Fe1	125.4 (6)
C7—C8—C9	119.0 (9)	C10—N3—Fe1	112.3 (6)
C7—C8—C3	120.2 (8)	C13—N4—C11	121.5 (7)
C9—C8—C3	120.8 (7)	C13—N4—Fe1	125.1 (6)
N3—C9—C8	126.9 (8)	C11—N4—Fe1	113.4 (5)
N3—C9—H9	116.6	C19—O1—Fe1	128.4 (5)
C8—C9—H9	116.6	C3—O2—Fe1	128.5 (5)
C11—C10—N3	110.1 (8)	Fe1—O3—H1W	100 (6)
C11—C10—H10A	109.6	Fe1—O3—H2W	112 (6)
N3—C10—H10A	109.6	H1W—O3—H2W	118 (4)
C11—C10—H10B	109.6

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	0.81 (2)	2.09 (4)	2.859 (7)	159 (8)
O3—H2W···N2ⁱⁱⁱ	0.81 (2)	2.02 (2)	2.813 (9)	167 (7)

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	[Fe₂Ni(C₁₇H₁₄Br₂N₂O₂)₂(CN)₄(H₂O)₂]
M_r	1186.71
Crystal system, space group	Monoclinic, P2₁/n
Temperature (K)	293
a, b, c (Å)	11.599 (2), 13.538 (3), 14.715 (3)
β (°)	112.04 (3)
V (Å³)	2141.8 (7)
Z	2
Radiation type	Mo Kα
µ (mm⁻¹)	4.89
Crystal size (mm)	0.10 × 0.10 × 0.10

Data collection
Diffractometer	Bruker APEXII CCD diffractometer
Absorption correction	Multi-scan (SADABS; Bruker, 2001)
T_min, T_max	0.449, 0.641
No. of measured, independent and observed [I > 2σ(I)] reflections	13404, 3699, 2263
R_int	0.085
(sin θ/λ)_max (Å⁻¹)	0.596

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.066, 0.181, 1.00
No. of reflections	3699
No. of parameters	276
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)	0.96, −0.64

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	0.81 (2)	2.09 (4)	2.859 (7)	159 (8)
O3—H2W···N2ⁱⁱ	0.81 (2)	2.02 (2)	2.813 (9)	167 (7)

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

Acknowledgements

The authors thank the National Ministry of Science and Technology of China (grant No. 2001CB6105–07).

References

Bruker (2001). SAINT-Plus and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA. Google Scholar
Bruker (2004). APEX2. Bruker AXS Inc., Madison, Wisconsin, USA. Google Scholar
Kuang, S. M., Fanwick, P. E. & Walton, R. A. (2002). Inorg. Chem. 41, 147–151. Web of Science CSD CrossRef PubMed CAS Google Scholar
Kuchar, J., Cernak, J., Zak, Z. & Massa, W. (2003). Monogr. Ser. Int. Conf. Coord. Chem. 6, 127–132. CAS Google Scholar
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. Web of Science CrossRef CAS IUCr Journals Google Scholar
Sun, Z.-H., Yang, G.-B., Meng, L.-B. & Chen, S. (2008). Acta Cryst. E64, m783. Web of Science CSD CrossRef IUCr Journals Google Scholar
Yang, J. Y., Shores, M. P., Sokol, J. J. & Long, J. R. (2003). Inorg. Chem. 42, 1403–1408. Web of Science CSD CrossRef PubMed CAS Google Scholar

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Volume 64| Part 7| July 2008| Page m926

doi:10.1107/S1600536808017893

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metal-organic compounds\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

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

Related literature

Experimental

Crystal data

Data collection

Refinement

Supporting information

Acknowledgements

References

metal-organic compounds

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