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Acta Cryst. (2008). E64, m989    [ doi:10.1107/S1600536808019806 ]

Hexa-[mu]2-acetato-triaqua-[mu]3-oxido-triiron(III) nitrate acetic acid solvate

S. Yao, J. Liu and Q. Han

Abstract top

The asymmetric unit of the title compound, [Fe3(CH3COO)6O(H2O)3]NO3·CH3COOH, consists of a hexa-[mu]2-acetato-triaqua-[mu]3-oxo-triiron(III) macrocation, a nitrate ion and an acetic acid solvent molecule. In the cation, each Fe3+ ion is coordinated by four carboxylate O atoms, one central bridged O atom and one water molecule, resulting in distorted FeO6 octahedra. A network of O-H...O hydrogen bonds helps to establish the packing.

Comment top

Transiton-metal coordination complexes based on carboxylates have been attracting chemist's interests and constitutes one of the widest families of research (Thirumurugan & Natarajan, 2004). During the past years, lots of novel carboxylates compounds have been reported (Zhang et al., 2005), in which carboxlate-supported Cr3(/m3-O) (Fujihara et al., 1998) and Fe3(/m3-O) core (Ren et al., 2004; Vrubel et al., 2006), present two large kinds of widely investigated transtion-metal complexes. Herein, we report the title compound (I).

The title compound, (I), presents a macrocation of [Fe3O(CH3COO)6(H2O)3]+, in which Fe3+ is coordinated by four oxygen atoms from four carboxylates of four acetate anions, one central bridged oxygen atom, and one water molecule. The environment of all the Fe ions are distorted octahedral geometry (Fig. 1). The three Fe atoms approximatively reside in an equilateral triangle with an oxide ion in the center [Fe3O]. The Fe—O distances range from 1.897 (2) to 2.126 (3) Å (Table 1).

In the crystal, the components are linked by O—H···O hydrogen bonds generating a three-dimensional framework (Fig. 2 and Table 2).

Related literature top

For related literature, see: Fujihara et al. (1998); Ren et al. (2004); Thirumurugan & Natarajan (2004); Vrubel et al. (2006); Zhang et al. (2005).

Experimental top

Fe(NO3)3.9H2O (1 mmol, 0.404 g) was suspended in 5 ml water and 3 ml (1 mol/L) NaOH solution was added dropwise to produce a brown precipitate, then 25 ml acetic acid were added to the mixture. It was stirred under reflux for 3 h. The solution was filtered, and the filtrate was kept at the room temperature. After one weeks, xxx blocks of (I) were obtained.

Refinement top

H atoms were treated as riding, with C—H distances in the range of 0.93–0.98 Å and O—H distances of 0.82 Å, and were refined as riding with Uiso(H)=1.2Ueq(Cmethylene and Cmethylidyne) and Uiso(H)=1.5Ueq(O or Cmethyl).

Computing details top

Data collection: SMART (Bruker, 2001); 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: PLATON (Spek, 2003); software used to prepare material for publication: PLATON (Spek, 2003).

Figures top
[Figure 1] Fig. 1. The molecular structure of (I), with displacement ellipsoids for the non-hydrogen atoms drawn at the 50% probability level.
[Figure 2] Fig. 2. Three-dimensional structure of (I), with hydrogen bonds shown as dashed lines.
Hexa-µ2-acetato-triaqua-µ3-oxido-triiron(III) nitrate acetic acid solvate top
Crystal data top
[Fe3(C2H3O2)6O(H2O)3]NO3·C2H4O2F000 = 1460
Mr = 713.92Dx = 1.781 Mg m−3
Monoclinic, P21/cMo Kα radiation
λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 2092 reflections
a = 11.835 (3) Åθ = 2.2–23.2º
b = 14.755 (4) ŵ = 1.71 mm−1
c = 15.250 (4) ÅT = 296 (2) K
β = 90.851 (5)ºBlock, yellow
V = 2662.8 (12) Å30.18 × 0.13 × 0.10 mm
Z = 4
Data collection top
Bruker SMART CCD
diffractometer		4953 independent reflections
Radiation source: fine-focus sealed tube3355 reflections with I > 2σ(I)
Monochromator: graphiteRint = 0.054
T = 296(2) Kθmax = 25.5º
ω scansθmin = 1.7º
Absorption correction: multi-scan
(SADABS; Sheldrick, 2001)		h = −14→11
Tmin = 0.750, Tmax = 0.848k = −17→17
14072 measured reflectionsl = −18→17
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)] = 0.044H atoms treated by a mixture of
independent and constrained refinement
wR(F2) = 0.106  w = 1/[σ2(Fo2) + (0.048P)2]
where P = (Fo2 + 2Fc2)/3
S = 1.00(Δ/σ)max = 0.001
4953 reflectionsΔρmax = 0.51 e Å−3
378 parametersΔρmin = −0.41 e Å−3
9 restraintsExtinction correction: none
Primary atom site location: structure-invariant direct methods
Crystal data top
[Fe3(C2H3O2)6O(H2O)3]NO3·C2H4O2V = 2662.8 (12) Å3
Mr = 713.92Z = 4
Monoclinic, P21/cMo Kα
a = 11.835 (3) ŵ = 1.71 mm−1
b = 14.755 (4) ÅT = 296 (2) K
c = 15.250 (4) Å0.18 × 0.13 × 0.10 mm
β = 90.851 (5)º
Data collection top
Bruker SMART CCD
diffractometer		4953 independent reflections
Absorption correction: multi-scan
(SADABS; Sheldrick, 2001)		3355 reflections with I > 2σ(I)
Tmin = 0.750, Tmax = 0.848Rint = 0.054
14072 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0449 restraints
wR(F2) = 0.106H atoms treated by a mixture of
independent and constrained refinement
S = 1.00Δρmax = 0.51 e Å−3
4953 reflectionsΔρmin = −0.41 e Å−3
378 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
xyzUiso*/Ueq
Fe10.40305 (4)0.89656 (3)0.62790 (3)0.02692 (12)
Fe20.17864 (4)0.76827 (3)0.59152 (3)0.02751 (12)
Fe30.16879 (4)0.93399 (3)0.73634 (3)0.02779 (13)
O1W0.5730 (2)0.92274 (16)0.59831 (17)0.0390 (7)
O2W0.1067 (2)0.66185 (17)0.51505 (18)0.0536 (8)
O3W0.0853 (2)1.01043 (16)0.82684 (16)0.0414 (7)
O10.4549 (2)0.76906 (16)0.61642 (19)0.0505 (8)
O20.30533 (19)0.67883 (15)0.61664 (16)0.0373 (6)
O30.3729 (2)0.90801 (17)0.49476 (15)0.0433 (7)
O40.2469 (2)0.79746 (15)0.47350 (15)0.0375 (6)
O50.0995 (2)0.71685 (15)0.69403 (15)0.0379 (6)
O60.0942 (2)0.82725 (15)0.79378 (16)0.0461 (7)
O70.0395 (2)0.84025 (16)0.55730 (15)0.0387 (7)
O80.03183 (19)0.94965 (16)0.65798 (16)0.0406 (7)
O90.2290 (2)1.05548 (15)0.69826 (17)0.0430 (7)
O100.38902 (19)1.03126 (16)0.62901 (17)0.0456 (7)
O110.2928 (2)0.92041 (18)0.82695 (16)0.0492 (8)
O120.4514 (2)0.89345 (18)0.75438 (16)0.0481 (7)
O130.25047 (17)0.86634 (13)0.65078 (14)0.0254 (5)
O170.1754 (3)0.16154 (19)0.9058 (2)0.0782 (11)
O180.2920 (3)0.26869 (19)0.9325 (2)0.0674 (9)
O140.7459 (2)0.9001 (2)0.9425 (2)0.0738 (10)
H140.76980.87980.98930.111*
O150.9248 (2)0.9381 (2)0.92925 (19)0.0637 (9)
C10.4856 (3)0.6134 (2)0.6411 (3)0.0472 (11)
H1A0.44140.55900.64450.071*
H1B0.52580.62240.69560.071*
H1C0.53860.60800.59430.071*
C20.4094 (3)0.6923 (2)0.6240 (2)0.0302 (8)
C30.3290 (3)0.8632 (3)0.3488 (2)0.0479 (11)
H3A0.38370.90930.33610.072*
H3B0.25760.87920.32250.072*
H3C0.35390.80630.32560.072*
C40.3164 (3)0.8553 (2)0.4464 (2)0.0305 (9)
C50.0056 (3)0.6886 (3)0.8275 (2)0.0458 (11)
H5A−0.00750.63070.80040.069*
H5B−0.06550.71670.84000.069*
H5C0.04780.68030.88110.069*
C60.0711 (3)0.7479 (2)0.7666 (2)0.0317 (9)
C7−0.1126 (3)0.9443 (3)0.5496 (3)0.0476 (11)
H7A−0.13800.99600.58200.071*
H7B−0.16960.89800.55040.071*
H7C−0.09870.96180.49010.071*
C8−0.0058 (3)0.9087 (2)0.5905 (2)0.0317 (9)
C90.3287 (3)1.1823 (2)0.6455 (3)0.0512 (12)
H9A0.39751.19350.61470.077*
H9B0.33221.21180.70160.077*
H9C0.26591.20560.61200.077*
C100.3142 (3)1.0824 (2)0.6584 (2)0.0303 (9)
C110.4539 (3)0.8788 (3)0.9092 (2)0.0487 (11)
H11A0.40250.88650.95670.073*
H11B0.51680.91930.91680.073*
H11C0.48070.81740.90840.073*
C120.3942 (3)0.8995 (2)0.8241 (2)0.0324 (9)
O160.1840 (3)0.2745 (2)0.8165 (2)0.0802 (11)
N10.2187 (3)0.2358 (2)0.8830 (2)0.0534 (10)
C130.7984 (4)0.9702 (3)0.8110 (3)0.0624 (13)
H13A0.76941.03060.81630.094*
H13B0.74150.93180.78510.094*
H13C0.86370.97070.77440.094*
C140.8301 (3)0.9353 (3)0.8986 (3)0.0470 (11)
H3AW0.0417 (12)0.9921 (13)0.8637 (11)0.083 (16)*
H1AW0.6123 (14)0.8779 (8)0.5921 (16)0.048 (12)*
H3BW0.1149 (16)1.0579 (9)0.8427 (17)0.085 (16)*
H2AW0.0434 (9)0.6407 (19)0.5202 (14)0.106 (19)*
H2BW0.122 (2)0.667 (3)0.4630 (7)0.16 (3)*
H1BW0.584 (3)0.9594 (9)0.5594 (11)0.079 (16)*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Fe10.0246 (3)0.0245 (2)0.0317 (3)−0.0017 (2)0.0026 (2)−0.0008 (2)
Fe20.0289 (3)0.0224 (2)0.0313 (3)−0.0028 (2)0.0011 (2)0.0004 (2)
Fe30.0276 (3)0.0232 (2)0.0327 (3)−0.0019 (2)0.0055 (2)−0.0002 (2)
O1W0.0293 (13)0.0336 (13)0.0542 (16)0.0006 (11)0.0079 (12)0.0048 (12)
O2W0.0598 (18)0.0415 (16)0.0590 (19)−0.0159 (14)−0.0129 (15)−0.0030 (14)
O3W0.0436 (15)0.0338 (14)0.0472 (15)−0.0071 (12)0.0163 (13)−0.0110 (12)
O10.0332 (14)0.0288 (13)0.090 (2)0.0000 (12)0.0072 (14)−0.0050 (14)
O20.0375 (14)0.0235 (12)0.0506 (15)0.0018 (11)−0.0025 (12)−0.0014 (11)
O30.0430 (15)0.0563 (16)0.0306 (13)−0.0180 (13)0.0012 (12)0.0004 (12)
O40.0425 (14)0.0368 (13)0.0333 (13)−0.0113 (12)0.0046 (11)−0.0004 (11)
O50.0445 (15)0.0337 (13)0.0356 (14)−0.0096 (12)0.0077 (12)0.0040 (11)
O60.0565 (16)0.0293 (14)0.0530 (16)−0.0106 (12)0.0223 (13)0.0000 (12)
O70.0382 (14)0.0376 (14)0.0399 (14)0.0067 (12)−0.0069 (12)−0.0032 (12)
O80.0323 (14)0.0413 (14)0.0482 (16)0.0094 (12)−0.0028 (12)−0.0082 (12)
O90.0410 (15)0.0247 (13)0.0638 (17)−0.0030 (11)0.0204 (13)0.0019 (12)
O100.0341 (14)0.0250 (13)0.0784 (19)−0.0050 (11)0.0198 (14)−0.0003 (13)
O110.0411 (15)0.0685 (18)0.0376 (15)0.0119 (14)−0.0061 (13)−0.0085 (13)
O120.0355 (14)0.0763 (19)0.0324 (14)−0.0086 (14)−0.0018 (12)0.0012 (14)
O130.0236 (12)0.0226 (11)0.0303 (12)−0.0007 (9)0.0018 (10)−0.0004 (10)
O170.116 (3)0.0492 (18)0.069 (2)−0.0405 (18)−0.019 (2)0.0065 (16)
O180.0604 (19)0.0547 (18)0.087 (2)−0.0155 (16)−0.0065 (18)0.0070 (17)
O140.0485 (18)0.096 (2)0.076 (2)−0.0236 (18)−0.0037 (16)0.0325 (19)
O150.0425 (17)0.089 (2)0.0599 (19)−0.0098 (16)0.0070 (15)0.0113 (17)
C10.050 (2)0.038 (2)0.053 (2)0.0169 (19)0.000 (2)0.0056 (19)
C20.034 (2)0.0310 (18)0.0254 (18)0.0068 (17)0.0036 (15)−0.0009 (15)
C30.053 (2)0.060 (3)0.031 (2)−0.006 (2)0.0001 (19)0.0040 (19)
C40.0294 (19)0.0318 (19)0.0305 (19)0.0023 (16)0.0027 (16)0.0025 (16)
C50.047 (2)0.047 (2)0.043 (2)−0.017 (2)0.0054 (19)0.0111 (19)
C60.0297 (19)0.0257 (19)0.040 (2)−0.0044 (15)−0.0030 (16)0.0085 (15)
C70.039 (2)0.049 (2)0.054 (3)0.0014 (19)−0.008 (2)0.010 (2)
C80.0255 (18)0.035 (2)0.035 (2)−0.0030 (16)0.0037 (16)0.0117 (17)
C90.046 (2)0.032 (2)0.076 (3)−0.0016 (19)0.013 (2)0.010 (2)
C100.0274 (19)0.0260 (18)0.038 (2)−0.0042 (15)0.0007 (16)0.0009 (15)
C110.054 (3)0.050 (2)0.041 (2)−0.005 (2)−0.008 (2)0.0116 (19)
C120.040 (2)0.0230 (17)0.034 (2)−0.0067 (16)−0.0057 (17)0.0055 (16)
O160.120 (3)0.070 (2)0.0502 (19)−0.002 (2)0.002 (2)0.0049 (17)
N10.063 (2)0.045 (2)0.053 (2)−0.0038 (19)0.0088 (19)−0.0055 (18)
C130.063 (3)0.066 (3)0.058 (3)0.007 (3)−0.001 (2)0.006 (2)
C140.039 (2)0.042 (2)0.061 (3)0.0000 (19)0.005 (2)0.001 (2)
Geometric parameters (Å, °) top
Fe1—O131.897 (2)O12—C121.272 (4)
Fe1—O11.987 (2)O17—N11.260 (4)
Fe1—O101.995 (2)O18—N11.240 (4)
Fe1—O122.005 (3)O14—C141.316 (4)
Fe1—O32.063 (2)O14—H140.8200
Fe1—O1W2.104 (2)O15—C141.209 (5)
Fe2—O131.900 (2)C1—C21.494 (5)
Fe2—O51.985 (2)C1—H1A0.9600
Fe2—O72.021 (2)C1—H1B0.9600
Fe2—O22.030 (2)C1—H1C0.9600
Fe2—O42.030 (2)C3—C41.501 (5)
Fe2—O2W2.126 (3)C3—H3A0.9600
Fe3—O131.916 (2)C3—H3B0.9600
Fe3—O112.011 (3)C3—H3C0.9600
Fe3—O62.013 (2)C5—C61.500 (5)
Fe3—O82.013 (2)C5—H5A0.9600
Fe3—O92.017 (2)C5—H5B0.9600
Fe3—O3W2.048 (2)C5—H5C0.9600
O1W—H1AW0.815 (9)C7—C81.497 (5)
O1W—H1BW0.814 (9)C7—H7A0.9600
O2W—H2AW0.816 (9)C7—H7B0.9600
O2W—H2BW0.819 (9)C7—H7C0.9600
O3W—H3AW0.816 (9)C9—C101.497 (5)
O3W—H3BW0.818 (9)C9—H9A0.9600
O1—C21.260 (4)C9—H9B0.9600
O2—C21.251 (4)C9—H9C0.9600
O3—C41.258 (4)C11—C121.499 (5)
O4—C41.260 (4)C11—H11A0.9600
O5—C61.249 (4)C11—H11B0.9600
O6—C61.270 (4)C11—H11C0.9600
O7—C81.254 (4)O16—N11.229 (5)
O8—C81.268 (4)C13—C141.475 (6)
O9—C101.251 (4)C13—H13A0.9600
O10—C101.251 (4)C13—H13B0.9600
O11—C121.241 (4)C13—H13C0.9600
O13—Fe1—O195.13 (10)Fe2—O13—Fe3119.60 (11)
O13—Fe1—O1098.80 (9)C14—O14—H14109.5
O1—Fe1—O10165.92 (10)C2—C1—H1A109.5
O13—Fe1—O1294.40 (10)C2—C1—H1B109.5
O1—Fe1—O1288.79 (12)H1A—C1—H1B109.5
O10—Fe1—O1292.13 (11)C2—C1—H1C109.5
O13—Fe1—O392.81 (9)H1A—C1—H1C109.5
O1—Fe1—O392.29 (11)H1B—C1—H1C109.5
O10—Fe1—O385.04 (11)O2—C2—O1123.8 (3)
O12—Fe1—O3172.58 (10)O2—C2—C1118.9 (3)
O13—Fe1—O1W176.56 (9)O1—C2—C1117.4 (3)
O1—Fe1—O1W81.82 (10)C4—C3—H3A109.5
O10—Fe1—O1W84.19 (9)C4—C3—H3B109.5
O12—Fe1—O1W87.14 (10)H3A—C3—H3B109.5
O3—Fe1—O1W85.75 (10)C4—C3—H3C109.5
O13—Fe2—O597.45 (9)H3A—C3—H3C109.5
O13—Fe2—O794.56 (9)H3B—C3—H3C109.5
O5—Fe2—O790.68 (10)O3—C4—O4124.8 (3)
O13—Fe2—O294.67 (9)O3—C4—C3118.2 (3)
O5—Fe2—O287.64 (10)O4—C4—C3117.0 (3)
O7—Fe2—O2170.76 (10)C6—C5—H5A109.5
O13—Fe2—O494.54 (9)C6—C5—H5B109.5
O5—Fe2—O4167.95 (10)H5A—C5—H5B109.5
O7—Fe2—O489.59 (10)C6—C5—H5C109.5
O2—Fe2—O490.17 (10)H5A—C5—H5C109.5
O13—Fe2—O2W174.84 (10)H5B—C5—H5C109.5
O5—Fe2—O2W87.69 (11)O5—C6—O6124.6 (3)
O7—Fe2—O2W85.90 (10)O5—C6—C5118.9 (3)
O2—Fe2—O2W84.95 (10)O6—C6—C5116.5 (3)
O4—Fe2—O2W80.32 (10)C8—C7—H7A109.5
O13—Fe3—O1192.62 (10)C8—C7—H7B109.5
O13—Fe3—O696.76 (9)H7A—C7—H7B109.5
O11—Fe3—O686.74 (11)C8—C7—H7C109.5
O13—Fe3—O893.76 (10)H7A—C7—H7C109.5
O11—Fe3—O8173.00 (10)H7B—C7—H7C109.5
O6—Fe3—O889.64 (11)O7—C8—O8124.4 (3)
O13—Fe3—O994.77 (9)O7—C8—C7118.5 (3)
O11—Fe3—O991.68 (11)O8—C8—C7117.1 (3)
O6—Fe3—O9168.42 (10)C10—C9—H9A109.5
O8—Fe3—O990.67 (10)C10—C9—H9B109.5
O13—Fe3—O3W177.83 (10)H9A—C9—H9B109.5
O11—Fe3—O3W86.91 (10)C10—C9—H9C109.5
O6—Fe3—O3W85.33 (10)H9A—C9—H9C109.5
O8—Fe3—O3W86.82 (10)H9B—C9—H9C109.5
O9—Fe3—O3W83.13 (10)O9—C10—O10124.3 (3)
Fe1—O1W—H1AW115.2 (13)O9—C10—C9118.1 (3)
Fe1—O1W—H1BW116 (2)O10—C10—C9117.6 (3)
H1AW—O1W—H1BW111.0 (16)C12—C11—H11A109.5
Fe2—O2W—H2AW126.2 (19)C12—C11—H11B109.5
Fe2—O2W—H2BW112 (3)H11A—C11—H11B109.5
H2AW—O2W—H2BW109.8 (15)C12—C11—H11C109.5
Fe3—O3W—H3AW126.8 (15)H11A—C11—H11C109.5
Fe3—O3W—H3BW117.5 (16)H11B—C11—H11C109.5
H3AW—O3W—H3BW110.7 (16)O11—C12—O12125.1 (3)
C2—O1—Fe1135.3 (2)O11—C12—C11117.6 (3)
C2—O2—Fe2129.6 (2)O12—C12—C11117.3 (3)
C4—O3—Fe1127.6 (2)O16—N1—O18122.8 (4)
C4—O4—Fe2134.9 (2)O16—N1—O17119.9 (4)
C6—O5—Fe2134.0 (2)O18—N1—O17117.2 (4)
C6—O6—Fe3132.3 (2)C14—C13—H13A109.5
C8—O7—Fe2132.1 (2)C14—C13—H13B109.5
C8—O8—Fe3134.2 (2)H13A—C13—H13B109.5
C10—O9—Fe3135.5 (2)C14—C13—H13C109.5
C10—O10—Fe1131.6 (2)H13A—C13—H13C109.5
C12—O11—Fe3134.2 (2)H13B—C13—H13C109.5
C12—O12—Fe1130.9 (2)O15—C14—O14121.4 (4)
Fe1—O13—Fe2120.78 (11)O15—C14—C13124.1 (4)
Fe1—O13—Fe3119.60 (11)O14—C14—C13114.5 (4)
Hydrogen-bond geometry (Å, °) top
D—H···AD—HH···AD···AD—H···A
O14—H14···O17i0.821.822.642 (4)178
O3W—H3AW···O15ii0.816 (9)1.894 (9)2.697 (4)168 (2)
O1W—H1AW···O18iii0.815 (9)2.008 (10)2.821 (4)176 (2)
O3W—H3BW···O17iv0.818 (9)1.938 (13)2.742 (4)167 (3)
O2W—H2AW···O15v0.816 (9)2.28 (2)2.904 (4)134 (2)
O1W—H1BW···O3vi0.814 (9)2.188 (12)2.948 (3)155 (2)
Symmetry codes: (i) −x+1, −y+1, −z+2; (ii) x−1, y, z; (iii) −x+1, y+1/2, −z+3/2; (iv) x, y+1, z; (v) x−1, −y+3/2, z−1/2; (vi) −x+1, −y+2, −z+1.
Table 1
Selected geometric parameters (Å) top
Fe1—O131.897 (2)Fe2—O22.030 (2)
Fe1—O11.987 (2)Fe2—O42.030 (2)
Fe1—O101.995 (2)Fe2—O2W2.126 (3)
Fe1—O122.005 (3)Fe3—O131.916 (2)
Fe1—O32.063 (2)Fe3—O112.011 (3)
Fe1—O1W2.104 (2)Fe3—O62.013 (2)
Fe2—O131.900 (2)Fe3—O82.013 (2)
Fe2—O51.985 (2)Fe3—O92.017 (2)
Fe2—O72.021 (2)Fe3—O3W2.048 (2)
Table 2
Hydrogen-bond geometry (Å, °) top
D—H···AD—HH···AD···AD—H···A
O14—H14···O17i0.821.822.642 (4)178
O3W—H3AW···O15ii0.816 (9)1.894 (9)2.697 (4)168 (2)
O1W—H1AW···O18iii0.815 (9)2.008 (10)2.821 (4)176 (2)
O3W—H3BW···O17iv0.818 (9)1.938 (13)2.742 (4)167 (3)
O2W—H2AW···O15v0.816 (9)2.28 (2)2.904 (4)134 (2)
O1W—H1BW···O3vi0.814 (9)2.188 (12)2.948 (3)155 (2)
Symmetry codes: (i) −x+1, −y+1, −z+2; (ii) x−1, y, z; (iii) −x+1, y+1/2, −z+3/2; (iv) x, y+1, z; (v) x−1, −y+3/2, z−1/2; (vi) −x+1, −y+2, −z+1.
Acknowledgements top

This work was supported by the Basic Research Foundation for Natural Science of Henan University.

references
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