Crystal structure of tetra­kis­(tetra­hydro­furan-κO)bis­(tri­fluoro­methane­sulfonato-κO)iron(II)

The title high-spin iron(II) complex is six-coordinated with two tri­fluoro­methane­sulfonato and four tetra­hydro­furan ligands. It is isostructural with the corresponding Co, Ni and Zn complexes known from the literature.

Key indicators

• Single-crystal X-ray study
• T = 150 K
• Mean [sigma](C-C) = 0.003 Å
• R factor = 0.019
• wR factor = 0.051
• Data-to-parameter ratio = 18.4

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT241_ALERT_2_C High   'MainMol' Ueq as Compared to Neighbors of        C13 Check

Alert level G
PLAT242_ALERT_2_G Low    'MainMol' Ueq as Compared to Neighbors of         C1 Check
PLAT242_ALERT_2_G Low    'MainMol' Ueq as Compared to Neighbors of         C2 Check
PLAT794_ALERT_5_G Tentative Bond Valency for Fe1       (II)      .       2.13 Info
PLAT978_ALERT_2_G Number C-C Bonds with Positive Residual Density.          5 Info

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   1 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   4 ALERT level G = General information/check it is not something unexpected

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   4 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

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Computing details

Data collection: APEX2 (Bruker, 2007); cell refinement: PEAKREF (Schreurs, 2016); data reduction: Eval15 (Schreurs et al., 2010); program(s) used to solve structure: initial coordinates from isostructural Zn complex (Amel'chenkova et al., 2006); program(s) used to refine structure: SHELXL2018 (Sheldrick, 2015); molecular graphics: PLATON (Spek, 2009) and DRAWxtl (Finger et al., 2007).

Tetrakis(tetrahydrofuran-κO)bis(trifluoromethanesulfonato-κO)iron(II)

Crystal data

[Fe(CF3O3S)2(C4H8O)4]	Dx = 1.590 Mg m^−3
Mr = 642.40	Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, P212121	Cell parameters from 40729 reflections
a = 8.6618 (3) Å	θ = 1.6–27.5°
b = 16.2610 (6) Å	µ = 0.81 mm^−1
c = 19.0572 (4) Å	T = 150 K
V = 2684.20 (14) Å^3	Block, light pink
Z = 4	0.43 × 0.32 × 0.18 mm
F(000) = 1328

Data collection

Bruker Kappa APEXII CCD diffractometer	6027 reflections with I > 2σ(I)
Radiation source: sealed tube	Rint = 0.020
φ and ω scans	θmax = 27.5°, θmin = 1.7°
Absorption correction: multi-scan (SADABS; Krause et al., 2015)	h = −11→11
Tmin = 0.652, Tmax = 0.746	k = −21→21
43720 measured reflections	l = −24→24
6166 independent reflections

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.019	H-atom parameters constrained
wR(F^2) = 0.051	w = 1/[σ^2(Fo^2) + (0.0277P)^2 + 0.6586P] where P = (Fo^2 + 2Fc^2)/3
S = 1.07	(Δ/σ)max = 0.001
6166 reflections	Δρmax = 0.33 e Å^−3
335 parameters	Δρmin = −0.28 e Å^−3
0 restraints	Absolute structure: Refined as an inversion twin
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: −0.001 (10)

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. Refined as a two-component inversion twin

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Fe1	0.50772 (3)	0.48861 (2)	0.86831 (2)	0.01643 (6)
S1	0.81595 (5)	0.57825 (3)	0.93928 (2)	0.02277 (10)
S2	0.32496 (6)	0.31474 (3)	0.81507 (2)	0.02265 (10)
F1	0.9574 (2)	0.68741 (12)	1.01554 (11)	0.0680 (6)
F2	0.7121 (2)	0.68477 (9)	1.03052 (7)	0.0470 (4)
F3	0.8062 (3)	0.73954 (9)	0.93805 (9)	0.0590 (5)
F4	0.06455 (18)	0.35905 (12)	0.75689 (10)	0.0558 (4)
F5	0.14957 (18)	0.24184 (9)	0.72262 (9)	0.0480 (4)
F6	0.2551 (2)	0.35272 (10)	0.68562 (7)	0.0508 (4)
O1	0.65973 (16)	0.57880 (9)	0.91040 (7)	0.0240 (3)
O2	0.93533 (19)	0.58245 (12)	0.88737 (9)	0.0406 (4)
O3	0.83890 (17)	0.52029 (9)	0.99506 (8)	0.0324 (3)
O4	0.34877 (17)	0.40267 (8)	0.82643 (8)	0.0274 (3)
O5	0.45752 (17)	0.27184 (10)	0.78893 (9)	0.0353 (4)
O6	0.2398 (2)	0.27486 (11)	0.86955 (9)	0.0428 (4)
O7	0.38706 (15)	0.48776 (10)	0.96533 (6)	0.0238 (3)
O8	0.35941 (17)	0.58263 (8)	0.83381 (7)	0.0256 (3)
O9	0.62129 (17)	0.49769 (8)	0.77015 (7)	0.0264 (3)
O10	0.64976 (15)	0.39087 (8)	0.90293 (7)	0.0235 (3)
C1	0.8230 (3)	0.67820 (14)	0.98276 (12)	0.0350 (5)
C2	0.1914 (3)	0.31710 (13)	0.74133 (11)	0.0296 (4)
C3	0.2234 (2)	0.46794 (15)	0.97287 (10)	0.0305 (5)
H3A	0.203548	0.410133	0.959313	0.037*
H3B	0.159680	0.504403	0.943011	0.037*
C4	0.1865 (2)	0.48144 (16)	1.05024 (11)	0.0354 (5)
H4A	0.115020	0.438696	1.067968	0.042*
H4B	0.139912	0.536288	1.058032	0.042*
C5	0.3443 (2)	0.47496 (15)	1.08559 (10)	0.0308 (4)
H5A	0.346138	0.504546	1.130987	0.037*
H5B	0.374432	0.416917	1.093207	0.037*
C6	0.4466 (2)	0.51605 (14)	1.03204 (9)	0.0272 (4)
H6A	0.439699	0.576664	1.035736	0.033*
H6B	0.555633	0.499216	1.038254	0.033*
C7	0.2531 (3)	0.57493 (15)	0.77512 (11)	0.0349 (5)
H7A	0.159543	0.544020	0.789144	0.042*
H7B	0.302789	0.546152	0.735315	0.042*
C8	0.2128 (3)	0.66148 (15)	0.75551 (12)	0.0358 (5)
H8A	0.107456	0.664582	0.735575	0.043*
H8B	0.287162	0.683703	0.720896	0.043*
C9	0.2226 (3)	0.70770 (13)	0.82393 (12)	0.0318 (5)
H9A	0.250509	0.765977	0.815906	0.038*
H9B	0.123089	0.705398	0.849438	0.038*
C10	0.3467 (3)	0.66399 (13)	0.86392 (13)	0.0417 (6)
H10A	0.445941	0.693786	0.859551	0.050*
H10B	0.319250	0.660390	0.914247	0.050*
C11	0.6152 (3)	0.44132 (13)	0.71141 (10)	0.0274 (4)
H11A	0.518112	0.448247	0.684649	0.033*
H11B	0.622800	0.383601	0.727581	0.033*
C12	0.7528 (3)	0.46439 (15)	0.66738 (12)	0.0393 (5)
H12A	0.738428	0.447800	0.617830	0.047*
H12B	0.848683	0.439136	0.685716	0.047*
C13	0.7560 (4)	0.55698 (18)	0.67491 (16)	0.0593 (9)
H13A	0.863015	0.577957	0.671068	0.071*
H13B	0.692138	0.583316	0.638162	0.071*
C14	0.6920 (4)	0.57395 (14)	0.74568 (11)	0.0407 (6)
H14A	0.775102	0.591301	0.778098	0.049*
H14B	0.613879	0.618318	0.743218	0.049*
C15	0.6119 (3)	0.33496 (14)	0.95980 (11)	0.0316 (4)
H15A	0.502945	0.317000	0.956510	0.038*
H15B	0.628145	0.361845	1.005821	0.038*
C16	0.7192 (3)	0.26300 (15)	0.95120 (13)	0.0376 (5)
H16A	0.677552	0.222297	0.917507	0.045*
H16B	0.739603	0.235545	0.996623	0.045*
C17	0.8638 (3)	0.30493 (17)	0.92264 (14)	0.0417 (6)
H17A	0.922310	0.332764	0.960436	0.050*
H17B	0.932237	0.265169	0.898545	0.050*
C18	0.7963 (2)	0.36611 (13)	0.87176 (12)	0.0292 (4)
H18A	0.865616	0.414073	0.866134	0.035*
H18B	0.779706	0.340471	0.825253	0.035*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Fe1	0.01825 (11)	0.01659 (11)	0.01444 (10)	0.00166 (10)	0.00053 (9)	−0.00065 (8)
S1	0.0182 (2)	0.0244 (2)	0.0257 (2)	−0.00151 (17)	0.00011 (18)	−0.00155 (17)
S2	0.0229 (2)	0.0189 (2)	0.0261 (2)	−0.00106 (17)	−0.00181 (18)	−0.00144 (16)
F1	0.0548 (10)	0.0586 (11)	0.0907 (14)	−0.0162 (8)	−0.0327 (10)	−0.0222 (10)
F2	0.0648 (10)	0.0402 (8)	0.0360 (7)	0.0033 (7)	0.0047 (7)	−0.0135 (6)
F3	0.0976 (14)	0.0258 (7)	0.0536 (9)	−0.0106 (8)	−0.0009 (10)	0.0063 (7)
F4	0.0342 (7)	0.0635 (11)	0.0697 (11)	0.0195 (7)	−0.0173 (7)	−0.0151 (9)
F5	0.0478 (9)	0.0322 (7)	0.0640 (9)	−0.0105 (6)	−0.0218 (7)	−0.0118 (7)
F6	0.0648 (10)	0.0564 (9)	0.0311 (7)	−0.0160 (8)	−0.0116 (7)	0.0056 (7)
O1	0.0226 (6)	0.0237 (7)	0.0256 (6)	−0.0001 (5)	−0.0033 (5)	−0.0029 (5)
O2	0.0279 (7)	0.0495 (10)	0.0443 (10)	−0.0002 (7)	0.0124 (7)	−0.0004 (8)
O3	0.0293 (7)	0.0315 (7)	0.0364 (7)	0.0018 (6)	−0.0072 (6)	0.0046 (6)
O4	0.0284 (7)	0.0211 (7)	0.0326 (7)	0.0000 (5)	−0.0059 (6)	−0.0067 (6)
O5	0.0274 (7)	0.0271 (8)	0.0514 (9)	0.0054 (6)	−0.0033 (7)	−0.0092 (7)
O6	0.0478 (10)	0.0439 (9)	0.0368 (8)	−0.0087 (8)	0.0054 (8)	0.0099 (8)
O7	0.0173 (6)	0.0382 (8)	0.0160 (5)	−0.0010 (6)	0.0006 (4)	−0.0031 (6)
O8	0.0334 (8)	0.0201 (6)	0.0233 (6)	0.0088 (6)	−0.0091 (6)	−0.0057 (5)
O9	0.0397 (7)	0.0196 (7)	0.0199 (6)	−0.0031 (6)	0.0099 (5)	−0.0025 (5)
O10	0.0199 (7)	0.0233 (6)	0.0273 (6)	0.0039 (5)	0.0045 (5)	0.0053 (5)
C1	0.0411 (12)	0.0290 (10)	0.0351 (11)	−0.0086 (10)	−0.0066 (10)	−0.0027 (9)
C2	0.0285 (10)	0.0247 (9)	0.0356 (10)	−0.0027 (8)	−0.0070 (9)	−0.0049 (8)
C3	0.0171 (9)	0.0492 (13)	0.0253 (9)	−0.0037 (8)	0.0017 (7)	0.0003 (9)
C4	0.0244 (9)	0.0533 (14)	0.0284 (9)	0.0015 (10)	0.0073 (8)	0.0001 (10)
C5	0.0309 (10)	0.0433 (12)	0.0183 (8)	−0.0017 (9)	0.0034 (7)	0.0006 (8)
C6	0.0274 (9)	0.0374 (11)	0.0169 (8)	−0.0044 (8)	0.0002 (7)	−0.0043 (8)
C7	0.0416 (12)	0.0330 (11)	0.0301 (10)	0.0088 (10)	−0.0163 (9)	−0.0054 (9)
C8	0.0390 (12)	0.0357 (12)	0.0325 (11)	0.0092 (10)	−0.0090 (9)	0.0042 (9)
C9	0.0362 (11)	0.0213 (9)	0.0379 (11)	0.0063 (8)	−0.0023 (9)	0.0022 (8)
C10	0.0577 (15)	0.0241 (10)	0.0432 (12)	0.0170 (10)	−0.0213 (12)	−0.0150 (10)
C11	0.0372 (10)	0.0255 (10)	0.0195 (8)	−0.0029 (8)	0.0047 (8)	−0.0057 (7)
C12	0.0488 (14)	0.0415 (13)	0.0275 (10)	−0.0022 (10)	0.0154 (10)	−0.0072 (9)
C13	0.084 (2)	0.0427 (15)	0.0515 (16)	−0.0202 (15)	0.0368 (16)	−0.0027 (12)
C14	0.0679 (17)	0.0247 (10)	0.0295 (10)	−0.0127 (11)	0.0150 (11)	0.0011 (8)
C15	0.0301 (10)	0.0353 (11)	0.0294 (10)	0.0062 (9)	0.0039 (8)	0.0126 (8)
C16	0.0424 (12)	0.0317 (11)	0.0386 (11)	0.0109 (10)	0.0024 (10)	0.0136 (9)
C17	0.0284 (11)	0.0489 (14)	0.0479 (13)	0.0154 (10)	0.0012 (10)	0.0088 (11)
C18	0.0245 (9)	0.0269 (9)	0.0363 (10)	0.0057 (7)	0.0080 (9)	0.0020 (9)

Geometric parameters (Å, º)

Fe1—O8	2.1024 (13)	C5—H5B	0.9900
Fe1—O10	2.1153 (13)	C6—H6A	0.9900
Fe1—O4	2.1179 (14)	C6—H6B	0.9900
Fe1—O9	2.1187 (13)	C7—C8	1.497 (3)
Fe1—O7	2.1239 (12)	C7—H7A	0.9900
Fe1—O1	2.1279 (14)	C7—H7B	0.9900
S1—O2	1.4325 (16)	C8—C9	1.507 (3)
S1—O3	1.4346 (15)	C8—H8A	0.9900
S1—O1	1.4608 (14)	C8—H8B	0.9900
S1—C1	1.825 (2)	C9—C10	1.497 (3)
S2—O6	1.4290 (17)	C9—H9A	0.9900
S2—O5	1.4329 (16)	C9—H9B	0.9900
S2—O4	1.4608 (14)	C10—H10A	0.9900
S2—C2	1.821 (2)	C10—H10B	0.9900
F1—C1	1.329 (3)	C11—C12	1.505 (3)
F2—C1	1.328 (3)	C11—H11A	0.9900
F3—C1	1.320 (3)	C11—H11B	0.9900
F4—C2	1.327 (3)	C12—C13	1.513 (4)
F5—C2	1.325 (2)	C12—H12A	0.9900
F6—C2	1.330 (3)	C12—H12B	0.9900
O7—C6	1.447 (2)	C13—C14	1.484 (3)
O7—C3	1.461 (2)	C13—H13A	0.9900
O8—C10	1.446 (2)	C13—H13B	0.9900
O8—C7	1.454 (2)	C14—H14A	0.9900
O9—C11	1.448 (2)	C14—H14B	0.9900
O9—C14	1.459 (3)	C15—C16	1.503 (3)
O10—C15	1.452 (2)	C15—H15A	0.9900
O10—C18	1.458 (2)	C15—H15B	0.9900
C3—C4	1.525 (3)	C16—C17	1.527 (3)
C3—H3A	0.9900	C16—H16A	0.9900
C3—H3B	0.9900	C16—H16B	0.9900
C4—C5	1.528 (3)	C17—C18	1.507 (3)
C4—H4A	0.9900	C17—H17A	0.9900
C4—H4B	0.9900	C17—H17B	0.9900
C5—C6	1.508 (3)	C18—H18A	0.9900
C5—H5A	0.9900	C18—H18B	0.9900
O8—Fe1—O10	177.82 (6)	C5—C6—H6B	110.9
O8—Fe1—O4	87.98 (5)	H6A—C6—H6B	109.0
O10—Fe1—O4	89.99 (6)	O8—C7—C8	104.97 (17)
O8—Fe1—O9	87.53 (6)	O8—C7—H7A	110.8
O10—Fe1—O9	93.31 (5)	C8—C7—H7A	110.8
O4—Fe1—O9	90.86 (6)	O8—C7—H7B	110.8
O8—Fe1—O7	88.64 (6)	C8—C7—H7B	110.8
O10—Fe1—O7	90.57 (5)	H7A—C7—H7B	108.8
O4—Fe1—O7	90.22 (6)	C7—C8—C9	103.87 (17)
O9—Fe1—O7	175.98 (6)	C7—C8—H8A	111.0
O8—Fe1—O1	89.70 (5)	C9—C8—H8A	111.0
O10—Fe1—O1	92.31 (5)	C7—C8—H8B	111.0
O4—Fe1—O1	177.54 (6)	C9—C8—H8B	111.0
O9—Fe1—O1	89.86 (5)	H8A—C8—H8B	109.0
O7—Fe1—O1	88.90 (5)	C10—C9—C8	104.11 (18)
O2—S1—O3	116.30 (10)	C10—C9—H9A	110.9
O2—S1—O1	114.09 (9)	C8—C9—H9A	110.9
O3—S1—O1	114.30 (9)	C10—C9—H9B	110.9
O2—S1—C1	104.29 (11)	C8—C9—H9B	110.9
O3—S1—C1	104.11 (10)	H9A—C9—H9B	109.0
O1—S1—C1	101.34 (10)	O8—C10—C9	106.67 (17)
O6—S2—O5	116.43 (11)	O8—C10—H10A	110.4
O6—S2—O4	114.17 (10)	C9—C10—H10A	110.4
O5—S2—O4	114.51 (10)	O8—C10—H10B	110.4
O6—S2—C2	104.02 (11)	C9—C10—H10B	110.4
O5—S2—C2	104.55 (10)	H10A—C10—H10B	108.6
O4—S2—C2	100.57 (9)	O9—C11—C12	104.14 (17)
S1—O1—Fe1	135.31 (9)	O9—C11—H11A	110.9
S2—O4—Fe1	142.51 (9)	C12—C11—H11A	110.9
C6—O7—C3	109.25 (14)	O9—C11—H11B	110.9
C6—O7—Fe1	125.96 (11)	C12—C11—H11B	110.9
C3—O7—Fe1	124.38 (11)	H11A—C11—H11B	108.9
C10—O8—C7	109.61 (15)	C11—C12—C13	102.1 (2)
C10—O8—Fe1	125.99 (12)	C11—C12—H12A	111.3
C7—O8—Fe1	124.39 (12)	C13—C12—H12A	111.3
C11—O9—C14	107.83 (14)	C11—C12—H12B	111.3
C11—O9—Fe1	128.44 (12)	C13—C12—H12B	111.3
C14—O9—Fe1	122.42 (12)	H12A—C12—H12B	109.2
C15—O10—C18	109.12 (15)	C14—C13—C12	105.3 (2)
C15—O10—Fe1	124.88 (12)	C14—C13—H13A	110.7
C18—O10—Fe1	125.93 (11)	C12—C13—H13A	110.7
F3—C1—F2	107.6 (2)	C14—C13—H13B	110.7
F3—C1—F1	108.4 (2)	C12—C13—H13B	110.7
F2—C1—F1	107.59 (19)	H13A—C13—H13B	108.8
F3—C1—S1	112.09 (16)	O9—C14—C13	106.82 (18)
F2—C1—S1	111.02 (15)	O9—C14—H14A	110.4
F1—C1—S1	110.05 (18)	C13—C14—H14A	110.4
F5—C2—F4	108.00 (19)	O9—C14—H14B	110.4
F5—C2—F6	107.51 (18)	C13—C14—H14B	110.4
F4—C2—F6	107.37 (19)	H14A—C14—H14B	108.6
F5—C2—S2	111.21 (15)	O10—C15—C16	105.46 (17)
F4—C2—S2	111.38 (15)	O10—C15—H15A	110.7
F6—C2—S2	111.18 (15)	C16—C15—H15A	110.7
O7—C3—C4	105.50 (16)	O10—C15—H15B	110.7
O7—C3—H3A	110.6	C16—C15—H15B	110.7
C4—C3—H3A	110.6	H15A—C15—H15B	108.8
O7—C3—H3B	110.6	C15—C16—C17	101.44 (19)
C4—C3—H3B	110.6	C15—C16—H16A	111.5
H3A—C3—H3B	108.8	C17—C16—H16A	111.5
C3—C4—C5	103.22 (16)	C15—C16—H16B	111.5
C3—C4—H4A	111.1	C17—C16—H16B	111.5
C5—C4—H4A	111.1	H16A—C16—H16B	109.3
C3—C4—H4B	111.1	C18—C17—C16	101.86 (17)
C5—C4—H4B	111.1	C18—C17—H17A	111.4
H4A—C4—H4B	109.1	C16—C17—H17A	111.4
C6—C5—C4	101.37 (16)	C18—C17—H17B	111.4
C6—C5—H5A	111.5	C16—C17—H17B	111.4
C4—C5—H5A	111.5	H17A—C17—H17B	109.3
C6—C5—H5B	111.5	O10—C18—C17	104.95 (17)
C4—C5—H5B	111.5	O10—C18—H18A	110.8
H5A—C5—H5B	109.3	C17—C18—H18A	110.8
O7—C6—C5	104.12 (16)	O10—C18—H18B	110.8
O7—C6—H6A	110.9	C17—C18—H18B	110.8
C5—C6—H6A	110.9	H18A—C18—H18B	108.8
O7—C6—H6B	110.9
O2—S1—O1—Fe1	83.66 (14)	O7—C3—C4—C5	−21.8 (2)
O3—S1—O1—Fe1	−53.60 (15)	C3—C4—C5—C6	37.3 (2)
C1—S1—O1—Fe1	−164.91 (12)	C3—O7—C6—C5	27.1 (2)
O6—S2—O4—Fe1	93.74 (17)	Fe1—O7—C6—C5	−160.09 (13)
O5—S2—O4—Fe1	−44.07 (19)	C4—C5—C6—O7	−39.6 (2)
C2—S2—O4—Fe1	−155.53 (15)	C10—O8—C7—C8	18.0 (3)
O2—S1—C1—F3	56.6 (2)	Fe1—O8—C7—C8	−161.93 (14)
O3—S1—C1—F3	178.93 (19)	O8—C7—C8—C9	−30.8 (2)
O1—S1—C1—F3	−62.2 (2)	C7—C8—C9—C10	32.0 (3)
O2—S1—C1—F2	176.88 (16)	C7—O8—C10—C9	2.3 (3)
O3—S1—C1—F2	−60.75 (18)	Fe1—O8—C10—C9	−177.78 (14)
O1—S1—C1—F2	58.15 (17)	C8—C9—C10—O8	−21.4 (3)
O2—S1—C1—F1	−64.11 (19)	C14—O9—C11—C12	30.3 (2)
O3—S1—C1—F1	58.26 (19)	Fe1—O9—C11—C12	−162.73 (15)
O1—S1—C1—F1	177.16 (17)	O9—C11—C12—C13	−37.2 (3)
O6—S2—C2—F5	−60.00 (19)	C11—C12—C13—C14	30.6 (3)
O5—S2—C2—F5	62.60 (18)	C11—O9—C14—C13	−10.8 (3)
O4—S2—C2—F5	−178.42 (16)	Fe1—O9—C14—C13	−178.7 (2)
O6—S2—C2—F4	60.52 (19)	C12—C13—C14—O9	−13.0 (4)
O5—S2—C2—F4	−176.87 (16)	C18—O10—C15—C16	−13.7 (2)
O4—S2—C2—F4	−57.89 (18)	Fe1—O10—C15—C16	163.46 (14)
O6—S2—C2—F6	−179.78 (16)	O10—C15—C16—C17	33.9 (2)
O5—S2—C2—F6	−57.17 (17)	C15—C16—C17—C18	−41.0 (2)
O4—S2—C2—F6	61.81 (17)	C15—O10—C18—C17	−12.8 (2)
C6—O7—C3—C4	−3.0 (2)	Fe1—O10—C18—C17	170.13 (15)
Fe1—O7—C3—C4	−175.97 (14)	C16—C17—C18—O10	33.4 (2)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
C3—H3B···O2^i	0.99	2.55	3.514 (3)	164
C11—H11B···O5	0.99	2.59	3.412 (3)	140
C12—H12A···O3^ii	0.99	2.49	3.388 (3)	151
C14—H14A···O2	0.99	2.51	3.429 (3)	155
C16—H16B···O6^iii	0.99	2.56	3.476 (3)	154

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