Hexa-μ(2)-acetato-triaqua-μ(3)-oxido-triiron(III) nitrate acetic acid solvate.

The asymmetric unit of the title compound, [Fe(3)(CH(3)COO)(6)O(H(2)O)(3)]NO(3)·CH(3)COOH, consists of a hexa-μ(2)-acetato-triaqua-μ(3)-oxo-triiron(III) macrocation, a nitrate ion and an acetic acid solvent mol-ecule. In the cation, each Fe(3+) ion is coordinated by four carboxyl-ate O atoms, one central bridged O atom and one water mol-ecule, resulting in distorted FeO(6) octa-hedra. A network of O-H⋯O hydrogen bonds helps to establish the packing.

Related literature

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

Experimental

Crystal data

[Fe3(C2H3O2)6O(H2O)3]NO3·C2H4O2

M = 713.92

Monoclinic,

a = 11.835 (3) Å

b = 14.755 (4) Å

c = 15.250 (4) Å

β = 90.851 (5)°

V = 2662.8 (12) Å3

Z = 4

Mo Kα radiation

μ = 1.71 mm−1

T = 296 (2) K

0.18 × 0.13 × 0.10 mm

Data collection

Bruker SMART CCD diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 2001 ▶) T min = 0.750, T max = 0.848

14072 measured reflections

4953 independent reflections

3355 reflections with I > 2σ(I)

R int = 0.054

Refinement

R[F 2 > 2σ(F 2)] = 0.044

wR(F 2) = 0.106

S = 1.00

4953 reflections

378 parameters

9 restraints

H atoms treated by a mixture of independent and constrained refinement

Δρmax = 0.51 e Å−3

Δρmin = −0.41 e Å−3

Data collection: SMART (Bruker, 2001 ▶); cell refinement and data reduction: SAINT-Plus (Bruker, 2001 ▶); structure solution: SHELXS97 (Sheldrick, 2008 ▶); structure refinement: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: PLATON (Spek, 2003 ▶); software used to prepare material for publication: PLATON.

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536808019806/hb2740sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808019806/hb2740Isup2.hkl

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

[Fe3(C2H3O2)6O(H2O)3]NO3·C2H4O2	F000 = 1460
Mr = 713.92	Dx = 1.781 Mg m−3
Monoclinic, P21/c	Mo Kα radiation λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 2092 reflections
a = 11.835 (3) Å	θ = 2.2–23.2º
b = 14.755 (4) Å	µ = 1.71 mm−1
c = 15.250 (4) Å	T = 296 (2) K
β = 90.851 (5)º	Block, yellow
V = 2662.8 (12) Å3	0.18 × 0.13 × 0.10 mm
Z = 4

Bruker SMART CCD diffractometer	4953 independent reflections
Radiation source: fine-focus sealed tube	3355 reflections with I > 2σ(I)
Monochromator: graphite	Rint = 0.054
T = 296(2) K	θmax = 25.5º
ω scans	θmin = 1.7º
Absorption correction: multi-scan(SADABS; Sheldrick, 2001)	h = −14→11
Tmin = 0.750, Tmax = 0.848	k = −17→17
14072 measured reflections	l = −18→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)] = 0.044	H 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 reflections	Δρmax = 0.51 e Å−3
378 parameters	Δρmin = −0.41 e Å−3
9 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
Fe1	0.40305 (4)	0.89656 (3)	0.62790 (3)	0.02692 (12)
Fe2	0.17864 (4)	0.76827 (3)	0.59152 (3)	0.02751 (12)
Fe3	0.16879 (4)	0.93399 (3)	0.73634 (3)	0.02779 (13)
O1W	0.5730 (2)	0.92274 (16)	0.59831 (17)	0.0390 (7)
O2W	0.1067 (2)	0.66185 (17)	0.51505 (18)	0.0536 (8)
O3W	0.0853 (2)	1.01043 (16)	0.82684 (16)	0.0414 (7)
O1	0.4549 (2)	0.76906 (16)	0.61642 (19)	0.0505 (8)
O2	0.30533 (19)	0.67883 (15)	0.61664 (16)	0.0373 (6)
O3	0.3729 (2)	0.90801 (17)	0.49476 (15)	0.0433 (7)
O4	0.2469 (2)	0.79746 (15)	0.47350 (15)	0.0375 (6)
O5	0.0995 (2)	0.71685 (15)	0.69403 (15)	0.0379 (6)
O6	0.0942 (2)	0.82725 (15)	0.79378 (16)	0.0461 (7)
O7	0.0395 (2)	0.84025 (16)	0.55730 (15)	0.0387 (7)
O8	0.03183 (19)	0.94965 (16)	0.65798 (16)	0.0406 (7)
O9	0.2290 (2)	1.05548 (15)	0.69826 (17)	0.0430 (7)
O10	0.38902 (19)	1.03126 (16)	0.62901 (17)	0.0456 (7)
O11	0.2928 (2)	0.92041 (18)	0.82695 (16)	0.0492 (8)
O12	0.4514 (2)	0.89345 (18)	0.75438 (16)	0.0481 (7)
O13	0.25047 (17)	0.86634 (13)	0.65078 (14)	0.0254 (5)
O17	0.1754 (3)	0.16154 (19)	0.9058 (2)	0.0782 (11)
O18	0.2920 (3)	0.26869 (19)	0.9325 (2)	0.0674 (9)
O14	0.7459 (2)	0.9001 (2)	0.9425 (2)	0.0738 (10)
H14	0.7698	0.8798	0.9893	0.111*
O15	0.9248 (2)	0.9381 (2)	0.92925 (19)	0.0637 (9)
C1	0.4856 (3)	0.6134 (2)	0.6411 (3)	0.0472 (11)
H1A	0.4414	0.5590	0.6445	0.071*
H1B	0.5258	0.6224	0.6956	0.071*
H1C	0.5386	0.6080	0.5943	0.071*
C2	0.4094 (3)	0.6923 (2)	0.6240 (2)	0.0302 (8)
C3	0.3290 (3)	0.8632 (3)	0.3488 (2)	0.0479 (11)
H3A	0.3837	0.9093	0.3361	0.072*
H3B	0.2576	0.8792	0.3225	0.072*
H3C	0.3539	0.8063	0.3256	0.072*
C4	0.3164 (3)	0.8553 (2)	0.4464 (2)	0.0305 (9)
C5	0.0056 (3)	0.6886 (3)	0.8275 (2)	0.0458 (11)
H5A	−0.0075	0.6307	0.8004	0.069*
H5B	−0.0655	0.7167	0.8400	0.069*
H5C	0.0478	0.6803	0.8811	0.069*
C6	0.0711 (3)	0.7479 (2)	0.7666 (2)	0.0317 (9)
C7	−0.1126 (3)	0.9443 (3)	0.5496 (3)	0.0476 (11)
H7A	−0.1380	0.9960	0.5820	0.071*
H7B	−0.1696	0.8980	0.5504	0.071*
H7C	−0.0987	0.9618	0.4901	0.071*
C8	−0.0058 (3)	0.9087 (2)	0.5905 (2)	0.0317 (9)
C9	0.3287 (3)	1.1823 (2)	0.6455 (3)	0.0512 (12)
H9A	0.3975	1.1935	0.6147	0.077*
H9B	0.3322	1.2118	0.7016	0.077*
H9C	0.2659	1.2056	0.6120	0.077*
C10	0.3142 (3)	1.0824 (2)	0.6584 (2)	0.0303 (9)
C11	0.4539 (3)	0.8788 (3)	0.9092 (2)	0.0487 (11)
H11A	0.4025	0.8865	0.9567	0.073*
H11B	0.5168	0.9193	0.9168	0.073*
H11C	0.4807	0.8174	0.9084	0.073*
C12	0.3942 (3)	0.8995 (2)	0.8241 (2)	0.0324 (9)
O16	0.1840 (3)	0.2745 (2)	0.8165 (2)	0.0802 (11)
N1	0.2187 (3)	0.2358 (2)	0.8830 (2)	0.0534 (10)
C13	0.7984 (4)	0.9702 (3)	0.8110 (3)	0.0624 (13)
H13A	0.7694	1.0306	0.8163	0.094*
H13B	0.7415	0.9318	0.7851	0.094*
H13C	0.8637	0.9707	0.7744	0.094*
C14	0.8301 (3)	0.9353 (3)	0.8986 (3)	0.0470 (11)
H3AW	0.0417 (12)	0.9921 (13)	0.8637 (11)	0.083 (16)*
H1AW	0.6123 (14)	0.8779 (8)	0.5921 (16)	0.048 (12)*
H3BW	0.1149 (16)	1.0579 (9)	0.8427 (17)	0.085 (16)*
H2AW	0.0434 (9)	0.6407 (19)	0.5202 (14)	0.106 (19)*
H2BW	0.122 (2)	0.667 (3)	0.4630 (7)	0.16 (3)*
H1BW	0.584 (3)	0.9594 (9)	0.5594 (11)	0.079 (16)*

	U11	U22	U33	U12	U13	U23
Fe1	0.0246 (3)	0.0245 (2)	0.0317 (3)	−0.0017 (2)	0.0026 (2)	−0.0008 (2)
Fe2	0.0289 (3)	0.0224 (2)	0.0313 (3)	−0.0028 (2)	0.0011 (2)	0.0004 (2)
Fe3	0.0276 (3)	0.0232 (2)	0.0327 (3)	−0.0019 (2)	0.0055 (2)	−0.0002 (2)
O1W	0.0293 (13)	0.0336 (13)	0.0542 (16)	0.0006 (11)	0.0079 (12)	0.0048 (12)
O2W	0.0598 (18)	0.0415 (16)	0.0590 (19)	−0.0159 (14)	−0.0129 (15)	−0.0030 (14)
O3W	0.0436 (15)	0.0338 (14)	0.0472 (15)	−0.0071 (12)	0.0163 (13)	−0.0110 (12)
O1	0.0332 (14)	0.0288 (13)	0.090 (2)	0.0000 (12)	0.0072 (14)	−0.0050 (14)
O2	0.0375 (14)	0.0235 (12)	0.0506 (15)	0.0018 (11)	−0.0025 (12)	−0.0014 (11)
O3	0.0430 (15)	0.0563 (16)	0.0306 (13)	−0.0180 (13)	0.0012 (12)	0.0004 (12)
O4	0.0425 (14)	0.0368 (13)	0.0333 (13)	−0.0113 (12)	0.0046 (11)	−0.0004 (11)
O5	0.0445 (15)	0.0337 (13)	0.0356 (14)	−0.0096 (12)	0.0077 (12)	0.0040 (11)
O6	0.0565 (16)	0.0293 (14)	0.0530 (16)	−0.0106 (12)	0.0223 (13)	0.0000 (12)
O7	0.0382 (14)	0.0376 (14)	0.0399 (14)	0.0067 (12)	−0.0069 (12)	−0.0032 (12)
O8	0.0323 (14)	0.0413 (14)	0.0482 (16)	0.0094 (12)	−0.0028 (12)	−0.0082 (12)
O9	0.0410 (15)	0.0247 (13)	0.0638 (17)	−0.0030 (11)	0.0204 (13)	0.0019 (12)
O10	0.0341 (14)	0.0250 (13)	0.0784 (19)	−0.0050 (11)	0.0198 (14)	−0.0003 (13)
O11	0.0411 (15)	0.0685 (18)	0.0376 (15)	0.0119 (14)	−0.0061 (13)	−0.0085 (13)
O12	0.0355 (14)	0.0763 (19)	0.0324 (14)	−0.0086 (14)	−0.0018 (12)	0.0012 (14)
O13	0.0236 (12)	0.0226 (11)	0.0303 (12)	−0.0007 (9)	0.0018 (10)	−0.0004 (10)
O17	0.116 (3)	0.0492 (18)	0.069 (2)	−0.0405 (18)	−0.019 (2)	0.0065 (16)
O18	0.0604 (19)	0.0547 (18)	0.087 (2)	−0.0155 (16)	−0.0065 (18)	0.0070 (17)
O14	0.0485 (18)	0.096 (2)	0.076 (2)	−0.0236 (18)	−0.0037 (16)	0.0325 (19)
O15	0.0425 (17)	0.089 (2)	0.0599 (19)	−0.0098 (16)	0.0070 (15)	0.0113 (17)
C1	0.050 (2)	0.038 (2)	0.053 (2)	0.0169 (19)	0.000 (2)	0.0056 (19)
C2	0.034 (2)	0.0310 (18)	0.0254 (18)	0.0068 (17)	0.0036 (15)	−0.0009 (15)
C3	0.053 (2)	0.060 (3)	0.031 (2)	−0.006 (2)	0.0001 (19)	0.0040 (19)
C4	0.0294 (19)	0.0318 (19)	0.0305 (19)	0.0023 (16)	0.0027 (16)	0.0025 (16)
C5	0.047 (2)	0.047 (2)	0.043 (2)	−0.017 (2)	0.0054 (19)	0.0111 (19)
C6	0.0297 (19)	0.0257 (19)	0.040 (2)	−0.0044 (15)	−0.0030 (16)	0.0085 (15)
C7	0.039 (2)	0.049 (2)	0.054 (3)	0.0014 (19)	−0.008 (2)	0.010 (2)
C8	0.0255 (18)	0.035 (2)	0.035 (2)	−0.0030 (16)	0.0037 (16)	0.0117 (17)
C9	0.046 (2)	0.032 (2)	0.076 (3)	−0.0016 (19)	0.013 (2)	0.010 (2)
C10	0.0274 (19)	0.0260 (18)	0.038 (2)	−0.0042 (15)	0.0007 (16)	0.0009 (15)
C11	0.054 (3)	0.050 (2)	0.041 (2)	−0.005 (2)	−0.008 (2)	0.0116 (19)
C12	0.040 (2)	0.0230 (17)	0.034 (2)	−0.0067 (16)	−0.0057 (17)	0.0055 (16)
O16	0.120 (3)	0.070 (2)	0.0502 (19)	−0.002 (2)	0.002 (2)	0.0049 (17)
N1	0.063 (2)	0.045 (2)	0.053 (2)	−0.0038 (19)	0.0088 (19)	−0.0055 (18)
C13	0.063 (3)	0.066 (3)	0.058 (3)	0.007 (3)	−0.001 (2)	0.006 (2)
C14	0.039 (2)	0.042 (2)	0.061 (3)	0.0000 (19)	0.005 (2)	0.001 (2)

Fe1—O13	1.897 (2)	O12—C12	1.272 (4)
Fe1—O1	1.987 (2)	O17—N1	1.260 (4)
Fe1—O10	1.995 (2)	O18—N1	1.240 (4)
Fe1—O12	2.005 (3)	O14—C14	1.316 (4)
Fe1—O3	2.063 (2)	O14—H14	0.8200
Fe1—O1W	2.104 (2)	O15—C14	1.209 (5)
Fe2—O13	1.900 (2)	C1—C2	1.494 (5)
Fe2—O5	1.985 (2)	C1—H1A	0.9600
Fe2—O7	2.021 (2)	C1—H1B	0.9600
Fe2—O2	2.030 (2)	C1—H1C	0.9600
Fe2—O4	2.030 (2)	C3—C4	1.501 (5)
Fe2—O2W	2.126 (3)	C3—H3A	0.9600
Fe3—O13	1.916 (2)	C3—H3B	0.9600
Fe3—O11	2.011 (3)	C3—H3C	0.9600
Fe3—O6	2.013 (2)	C5—C6	1.500 (5)
Fe3—O8	2.013 (2)	C5—H5A	0.9600
Fe3—O9	2.017 (2)	C5—H5B	0.9600
Fe3—O3W	2.048 (2)	C5—H5C	0.9600
O1W—H1AW	0.815 (9)	C7—C8	1.497 (5)
O1W—H1BW	0.814 (9)	C7—H7A	0.9600
O2W—H2AW	0.816 (9)	C7—H7B	0.9600
O2W—H2BW	0.819 (9)	C7—H7C	0.9600
O3W—H3AW	0.816 (9)	C9—C10	1.497 (5)
O3W—H3BW	0.818 (9)	C9—H9A	0.9600
O1—C2	1.260 (4)	C9—H9B	0.9600
O2—C2	1.251 (4)	C9—H9C	0.9600
O3—C4	1.258 (4)	C11—C12	1.499 (5)
O4—C4	1.260 (4)	C11—H11A	0.9600
O5—C6	1.249 (4)	C11—H11B	0.9600
O6—C6	1.270 (4)	C11—H11C	0.9600
O7—C8	1.254 (4)	O16—N1	1.229 (5)
O8—C8	1.268 (4)	C13—C14	1.475 (6)
O9—C10	1.251 (4)	C13—H13A	0.9600
O10—C10	1.251 (4)	C13—H13B	0.9600
O11—C12	1.241 (4)	C13—H13C	0.9600
O13—Fe1—O1	95.13 (10)	Fe2—O13—Fe3	119.60 (11)
O13—Fe1—O10	98.80 (9)	C14—O14—H14	109.5
O1—Fe1—O10	165.92 (10)	C2—C1—H1A	109.5
O13—Fe1—O12	94.40 (10)	C2—C1—H1B	109.5
O1—Fe1—O12	88.79 (12)	H1A—C1—H1B	109.5
O10—Fe1—O12	92.13 (11)	C2—C1—H1C	109.5
O13—Fe1—O3	92.81 (9)	H1A—C1—H1C	109.5
O1—Fe1—O3	92.29 (11)	H1B—C1—H1C	109.5
O10—Fe1—O3	85.04 (11)	O2—C2—O1	123.8 (3)
O12—Fe1—O3	172.58 (10)	O2—C2—C1	118.9 (3)
O13—Fe1—O1W	176.56 (9)	O1—C2—C1	117.4 (3)
O1—Fe1—O1W	81.82 (10)	C4—C3—H3A	109.5
O10—Fe1—O1W	84.19 (9)	C4—C3—H3B	109.5
O12—Fe1—O1W	87.14 (10)	H3A—C3—H3B	109.5
O3—Fe1—O1W	85.75 (10)	C4—C3—H3C	109.5
O13—Fe2—O5	97.45 (9)	H3A—C3—H3C	109.5
O13—Fe2—O7	94.56 (9)	H3B—C3—H3C	109.5
O5—Fe2—O7	90.68 (10)	O3—C4—O4	124.8 (3)
O13—Fe2—O2	94.67 (9)	O3—C4—C3	118.2 (3)
O5—Fe2—O2	87.64 (10)	O4—C4—C3	117.0 (3)
O7—Fe2—O2	170.76 (10)	C6—C5—H5A	109.5
O13—Fe2—O4	94.54 (9)	C6—C5—H5B	109.5
O5—Fe2—O4	167.95 (10)	H5A—C5—H5B	109.5
O7—Fe2—O4	89.59 (10)	C6—C5—H5C	109.5
O2—Fe2—O4	90.17 (10)	H5A—C5—H5C	109.5
O13—Fe2—O2W	174.84 (10)	H5B—C5—H5C	109.5
O5—Fe2—O2W	87.69 (11)	O5—C6—O6	124.6 (3)
O7—Fe2—O2W	85.90 (10)	O5—C6—C5	118.9 (3)
O2—Fe2—O2W	84.95 (10)	O6—C6—C5	116.5 (3)
O4—Fe2—O2W	80.32 (10)	C8—C7—H7A	109.5
O13—Fe3—O11	92.62 (10)	C8—C7—H7B	109.5
O13—Fe3—O6	96.76 (9)	H7A—C7—H7B	109.5
O11—Fe3—O6	86.74 (11)	C8—C7—H7C	109.5
O13—Fe3—O8	93.76 (10)	H7A—C7—H7C	109.5
O11—Fe3—O8	173.00 (10)	H7B—C7—H7C	109.5
O6—Fe3—O8	89.64 (11)	O7—C8—O8	124.4 (3)
O13—Fe3—O9	94.77 (9)	O7—C8—C7	118.5 (3)
O11—Fe3—O9	91.68 (11)	O8—C8—C7	117.1 (3)
O6—Fe3—O9	168.42 (10)	C10—C9—H9A	109.5
O8—Fe3—O9	90.67 (10)	C10—C9—H9B	109.5
O13—Fe3—O3W	177.83 (10)	H9A—C9—H9B	109.5
O11—Fe3—O3W	86.91 (10)	C10—C9—H9C	109.5
O6—Fe3—O3W	85.33 (10)	H9A—C9—H9C	109.5
O8—Fe3—O3W	86.82 (10)	H9B—C9—H9C	109.5
O9—Fe3—O3W	83.13 (10)	O9—C10—O10	124.3 (3)
Fe1—O1W—H1AW	115.2 (13)	O9—C10—C9	118.1 (3)
Fe1—O1W—H1BW	116 (2)	O10—C10—C9	117.6 (3)
H1AW—O1W—H1BW	111.0 (16)	C12—C11—H11A	109.5
Fe2—O2W—H2AW	126.2 (19)	C12—C11—H11B	109.5
Fe2—O2W—H2BW	112 (3)	H11A—C11—H11B	109.5
H2AW—O2W—H2BW	109.8 (15)	C12—C11—H11C	109.5
Fe3—O3W—H3AW	126.8 (15)	H11A—C11—H11C	109.5
Fe3—O3W—H3BW	117.5 (16)	H11B—C11—H11C	109.5
H3AW—O3W—H3BW	110.7 (16)	O11—C12—O12	125.1 (3)
C2—O1—Fe1	135.3 (2)	O11—C12—C11	117.6 (3)
C2—O2—Fe2	129.6 (2)	O12—C12—C11	117.3 (3)
C4—O3—Fe1	127.6 (2)	O16—N1—O18	122.8 (4)
C4—O4—Fe2	134.9 (2)	O16—N1—O17	119.9 (4)
C6—O5—Fe2	134.0 (2)	O18—N1—O17	117.2 (4)
C6—O6—Fe3	132.3 (2)	C14—C13—H13A	109.5
C8—O7—Fe2	132.1 (2)	C14—C13—H13B	109.5
C8—O8—Fe3	134.2 (2)	H13A—C13—H13B	109.5
C10—O9—Fe3	135.5 (2)	C14—C13—H13C	109.5
C10—O10—Fe1	131.6 (2)	H13A—C13—H13C	109.5
C12—O11—Fe3	134.2 (2)	H13B—C13—H13C	109.5
C12—O12—Fe1	130.9 (2)	O15—C14—O14	121.4 (4)
Fe1—O13—Fe2	120.78 (11)	O15—C14—C13	124.1 (4)
Fe1—O13—Fe3	119.60 (11)	O14—C14—C13	114.5 (4)

D—H···A	D—H	H···A	D···A	D—H···A
O14—H14···O17i	0.82	1.82	2.642 (4)	178
O3W—H3AW···O15ii	0.816 (9)	1.894 (9)	2.697 (4)	168 (2)
O1W—H1AW···O18iii	0.815 (9)	2.008 (10)	2.821 (4)	176 (2)
O3W—H3BW···O17iv	0.818 (9)	1.938 (13)	2.742 (4)	167 (3)
O2W—H2AW···O15v	0.816 (9)	2.28 (2)	2.904 (4)	134 (2)
O1W—H1BW···O3vi	0.814 (9)	2.188 (12)	2.948 (3)	155 (2)

Table 1

Selected bond lengths (Å)

Fe1—O13	1.897 (2)
Fe1—O1	1.987 (2)
Fe1—O10	1.995 (2)
Fe1—O12	2.005 (3)
Fe1—O3	2.063 (2)
Fe1—O1W	2.104 (2)
Fe2—O13	1.900 (2)
Fe2—O5	1.985 (2)
Fe2—O7	2.021 (2)
Fe2—O2	2.030 (2)
Fe2—O4	2.030 (2)
Fe2—O2W	2.126 (3)
Fe3—O13	1.916 (2)
Fe3—O11	2.011 (3)
Fe3—O6	2.013 (2)
Fe3—O8	2.013 (2)
Fe3—O9	2.017 (2)
Fe3—O3W	2.048 (2)

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O14—H14⋯O17i	0.82	1.82	2.642 (4)	178
O3W—H3AW⋯O15ii	0.816 (9)	1.894 (9)	2.697 (4)	168 (2)
O1W—H1AW⋯O18iii	0.815 (9)	2.008 (10)	2.821 (4)	176 (2)
O3W—H3BW⋯O17iv	0.818 (9)	1.938 (13)	2.742 (4)	167 (3)
O2W—H2AW⋯O15v	0.816 (9)	2.28 (2)	2.904 (4)	134 (2)
O1W—H1BW⋯O3vi	0.814 (9)	2.188 (12)	2.948 (3)	155 (2)

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