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The title complex, [Fe3(C8H9S)6(CO)6], contains one FeII atom and two Fe(CO)3 subclusters connected through six 3,4-di­methyl­benzene­thiol­ate (μ2-S) ligands. The compound crystallizes in the trigonal space group R\overline 3 with two independent mol­ecules in the asymmetric unit, one mol­ecule possessing an inversion center and the other possessing \overline 3 symmetry. The Fe—S bond lengths are in the range 2.3386 (9)–2.5733 (8) Å and the S—Fe—S angles are in the range 81.20 (3)–83.74 (3)°.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805013024/su6189sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805013024/su6189Isup2.hkl
Contains datablock I

CCDC reference: 274644

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.006 Å
  • R factor = 0.049
  • wR factor = 0.106
  • Data-to-parameter ratio = 15.7

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT412_ALERT_2_B Short Intra XH3 .. XHn H35A .. H36A .. 1.77 Ang.
Alert level C PLAT143_ALERT_4_C su on c - Axis Small or Missing (x 100000) ..... 0 Ang. PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.90 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.35 Ratio PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Fe1 - C1 .. 5.07 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Fe3 - C28 .. 5.20 su PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety C19 PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety C26 PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety C36
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 8 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 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 1 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: CrystalClear (Rigaku, 2000); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXTL (Siemens, 1994); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Hexacarbonylhexakis(µ-3,4-dimethylbenzenethiolato)triiron(II) top
Crystal data top
[Fe3(C8H9S)6(CO)6]Dx = 1.378 Mg m3
Mr = 1158.88Mo Kα radiation, λ = 0.71073 Å
Trigonal, R3Cell parameters from 10404 reflections
Hall symbol: -R 3θ = 1.8–25.0°
a = 40.0008 (12) ŵ = 1.04 mm1
c = 12.093 ÅT = 293 K
V = 16756.9 (7) Å3Prism, black
Z = 120.50 × 0.30 × 0.15 mm
F(000) = 7200
Data collection top
Bruker P4
diffractometer
6567 independent reflections
Radiation source: fine-focus sealed tube5848 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.038
Detector resolution: 14.6306 pixels mm-1θmax = 25.0°, θmin = 1.8°
ω scansh = 4744
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
k = 4747
Tmin = 0.695, Tmax = 0.856l = 1414
34520 measured reflections
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.049Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.106H-atom parameters constrained
S = 1.09 w = 1/[σ2(Fo2) + (0.0398P)2 + 59.4153P]
where P = (Fo2 + 2Fc2)/3
6567 reflections(Δ/σ)max = 0.001
417 parametersΔρmax = 0.31 e Å3
0 restraintsΔρmin = 0.27 e Å3
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
Fe30.00000.00000.72972 (7)0.0378 (2)
Fe40.00000.00001.00000.0357 (3)
S40.05041 (2)0.03773 (2)0.85274 (8)0.0390 (2)
C300.08714 (10)0.00466 (11)0.8945 (3)0.0476 (9)
H30A0.06560.02090.93640.057*
C290.08831 (9)0.02652 (10)0.8402 (3)0.0409 (8)
O40.01324 (9)0.06644 (9)0.5941 (3)0.0723 (9)
C320.14967 (11)0.01191 (13)0.8245 (3)0.0552 (10)
C280.00920 (11)0.04142 (11)0.6480 (3)0.0471 (9)
C340.12014 (10)0.05018 (12)0.7771 (3)0.0556 (10)
H34A0.12140.07110.73960.067*
C310.11759 (11)0.01205 (12)0.8874 (3)0.0544 (10)
C330.15042 (11)0.04252 (13)0.7701 (4)0.0638 (12)
H33A0.17180.05860.72730.077*
C360.18389 (12)0.00547 (15)0.8151 (4)0.0796 (15)
H36A0.17890.01680.85750.119*
H36B0.20660.02770.84290.119*
H36C0.18770.00150.73900.119*
C350.11471 (16)0.04621 (16)0.9492 (5)0.0897 (17)
H35A0.13770.04760.93680.135*
H35B0.09270.06950.92320.135*
H35C0.11190.04321.02690.135*
Fe10.583503 (13)0.063739 (13)0.09011 (4)0.03430 (13)
Fe20.50000.00000.00000.03215 (16)
S20.52403 (2)0.06084 (2)0.11236 (7)0.03446 (19)
S30.56308 (2)0.04944 (2)0.09549 (7)0.03480 (19)
S10.54874 (2)0.00317 (2)0.11838 (7)0.03472 (19)
C120.50999 (9)0.05612 (10)0.2539 (3)0.0369 (7)
C50.57431 (9)0.03059 (9)0.0558 (3)0.0398 (8)
H5A0.56270.02110.10300.048*
C40.57287 (9)0.02593 (9)0.0574 (3)0.0381 (8)
C30.59236 (10)0.06811 (11)0.2371 (3)0.0479 (9)
C20.62654 (10)0.06185 (11)0.0564 (3)0.0487 (9)
C10.60534 (10)0.11486 (11)0.0659 (3)0.0473 (9)
C250.59460 (11)0.11468 (12)0.2236 (3)0.0559 (10)
H25A0.61480.10980.23500.067*
C170.49210 (10)0.02076 (11)0.3081 (3)0.0425 (8)
H17A0.48850.00140.27220.051*
C220.53479 (11)0.13007 (11)0.1934 (3)0.0474 (9)
C80.60781 (13)0.05931 (14)0.0836 (4)0.0687 (13)
H8A0.61900.06920.13140.082*
C160.47965 (10)0.01870 (12)0.4163 (3)0.0500 (9)
H16A0.46810.00500.45260.060*
C60.59275 (10)0.04919 (10)0.1005 (3)0.0470 (9)
C70.60936 (12)0.06429 (12)0.0286 (4)0.0606 (11)
C230.56653 (12)0.15513 (11)0.2571 (3)0.0549 (10)
C200.56356 (10)0.09008 (9)0.1587 (3)0.0386 (8)
C130.51494 (11)0.08841 (11)0.3093 (3)0.0489 (9)
H13A0.52720.11220.27360.059*
C110.59443 (13)0.05261 (13)0.2244 (3)0.0657 (12)
H11A0.58170.04040.25940.099*
H11B0.58170.07940.24470.099*
H11C0.62090.04020.24780.099*
C90.59028 (12)0.04021 (12)0.1273 (4)0.0581 (11)
H9A0.59010.03690.20340.070*
C150.48398 (11)0.05071 (14)0.4715 (3)0.0551 (10)
C210.53362 (10)0.09797 (10)0.1452 (3)0.0402 (8)
H21A0.51230.08130.10280.048*
C240.59567 (12)0.14663 (12)0.2719 (4)0.0660 (12)
H24A0.61670.16290.31570.079*
C270.56941 (15)0.19091 (13)0.3091 (5)0.0825 (15)
H27A0.59310.20440.34990.124*
H27B0.56900.20740.25210.124*
H27C0.54800.18360.35810.124*
C140.50191 (13)0.08627 (13)0.4177 (3)0.0596 (11)
C260.50155 (14)0.13721 (14)0.1759 (4)0.0739 (13)
H26A0.48240.11710.13020.111*
H26B0.49040.13730.24600.111*
H26C0.51070.16170.14020.111*
C190.46970 (16)0.04669 (18)0.5894 (4)0.0913 (18)
H19A0.45830.02020.61210.137*
H19B0.45080.05470.59360.137*
H19C0.49100.06260.63710.137*
C100.62861 (16)0.08605 (17)0.0716 (5)0.0937 (18)
H10A0.63800.09430.01050.141*
H10B0.64980.06950.11870.141*
H10C0.61020.10820.11280.141*
O10.61971 (9)0.14698 (8)0.0517 (3)0.0758 (9)
O30.59769 (10)0.07060 (10)0.3299 (2)0.0767 (9)
O20.65347 (8)0.06059 (10)0.0371 (3)0.0804 (10)
C180.5067 (2)0.12248 (17)0.4723 (4)0.108 (2)
H18A0.49660.11650.54620.161*
H18B0.49300.13220.43060.161*
H18C0.53360.14160.47490.161*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Fe30.0368 (3)0.0368 (3)0.0400 (5)0.01839 (14)0.0000.000
Fe40.0337 (4)0.0337 (4)0.0399 (7)0.01683 (19)0.0000.000
S40.0323 (4)0.0357 (4)0.0468 (5)0.0153 (4)0.0010 (4)0.0002 (4)
C300.041 (2)0.054 (2)0.050 (2)0.0259 (18)0.0027 (17)0.0003 (18)
C290.0321 (17)0.0422 (19)0.047 (2)0.0177 (15)0.0025 (15)0.0068 (16)
O40.085 (2)0.0627 (19)0.069 (2)0.0362 (17)0.0041 (17)0.0175 (16)
C320.042 (2)0.068 (3)0.060 (3)0.031 (2)0.0077 (19)0.018 (2)
C280.046 (2)0.047 (2)0.047 (2)0.0216 (18)0.0010 (17)0.0005 (18)
C340.039 (2)0.052 (2)0.069 (3)0.0174 (18)0.0106 (19)0.005 (2)
C310.051 (2)0.068 (3)0.055 (2)0.039 (2)0.0043 (19)0.005 (2)
C330.037 (2)0.069 (3)0.075 (3)0.018 (2)0.012 (2)0.005 (2)
C360.052 (3)0.103 (4)0.100 (4)0.050 (3)0.004 (3)0.024 (3)
C350.090 (4)0.105 (4)0.105 (4)0.072 (4)0.015 (3)0.025 (3)
Fe10.0297 (2)0.0373 (3)0.0348 (3)0.0159 (2)0.0014 (2)0.0040 (2)
Fe20.0308 (3)0.0369 (4)0.0311 (4)0.0187 (3)0.0012 (3)0.0027 (3)
S20.0356 (4)0.0398 (4)0.0310 (4)0.0211 (4)0.0012 (3)0.0033 (3)
S30.0352 (4)0.0387 (4)0.0323 (4)0.0197 (4)0.0028 (3)0.0011 (3)
S10.0348 (4)0.0403 (4)0.0333 (4)0.0219 (4)0.0002 (3)0.0005 (3)
C120.0356 (17)0.048 (2)0.0304 (17)0.0234 (16)0.0007 (14)0.0052 (15)
C50.0373 (18)0.0395 (18)0.047 (2)0.0223 (16)0.0010 (15)0.0039 (16)
C40.0324 (17)0.0378 (18)0.047 (2)0.0194 (15)0.0002 (15)0.0008 (15)
C30.042 (2)0.056 (2)0.047 (2)0.0247 (18)0.0094 (17)0.0064 (18)
C20.0315 (19)0.050 (2)0.057 (2)0.0148 (17)0.0014 (17)0.0041 (18)
C10.040 (2)0.045 (2)0.052 (2)0.0168 (17)0.0031 (17)0.0083 (18)
C250.046 (2)0.060 (2)0.060 (3)0.026 (2)0.0139 (19)0.021 (2)
C170.0369 (18)0.050 (2)0.039 (2)0.0203 (16)0.0020 (15)0.0032 (16)
C220.048 (2)0.046 (2)0.051 (2)0.0262 (18)0.0064 (18)0.0010 (18)
C80.075 (3)0.089 (3)0.074 (3)0.065 (3)0.008 (2)0.000 (3)
C160.043 (2)0.067 (3)0.035 (2)0.0231 (19)0.0007 (16)0.0074 (18)
C60.042 (2)0.046 (2)0.055 (2)0.0232 (17)0.0011 (17)0.0075 (18)
C70.058 (2)0.064 (3)0.077 (3)0.043 (2)0.001 (2)0.011 (2)
C230.056 (2)0.041 (2)0.060 (3)0.0186 (19)0.006 (2)0.0074 (18)
C200.0398 (18)0.0386 (18)0.0364 (19)0.0188 (15)0.0017 (15)0.0007 (15)
C130.059 (2)0.053 (2)0.039 (2)0.0311 (19)0.0019 (18)0.0084 (17)
C110.072 (3)0.070 (3)0.063 (3)0.041 (2)0.010 (2)0.013 (2)
C90.070 (3)0.074 (3)0.055 (2)0.054 (2)0.005 (2)0.003 (2)
C150.054 (2)0.093 (3)0.0295 (19)0.046 (2)0.0027 (17)0.002 (2)
C210.0386 (18)0.0410 (19)0.039 (2)0.0185 (16)0.0012 (15)0.0014 (15)
C240.054 (2)0.061 (3)0.072 (3)0.021 (2)0.017 (2)0.031 (2)
C270.085 (3)0.051 (3)0.101 (4)0.027 (3)0.008 (3)0.025 (3)
C140.077 (3)0.080 (3)0.041 (2)0.054 (3)0.004 (2)0.018 (2)
C260.078 (3)0.078 (3)0.089 (4)0.057 (3)0.008 (3)0.012 (3)
C190.111 (4)0.145 (5)0.040 (3)0.081 (4)0.016 (3)0.001 (3)
C100.101 (4)0.116 (4)0.111 (4)0.090 (4)0.012 (3)0.026 (4)
O10.073 (2)0.0402 (17)0.101 (3)0.0186 (15)0.0104 (18)0.0017 (16)
O30.085 (2)0.104 (3)0.0451 (18)0.051 (2)0.0245 (16)0.0178 (17)
O20.0415 (17)0.096 (2)0.104 (3)0.0347 (17)0.0072 (16)0.013 (2)
C180.170 (6)0.110 (5)0.066 (3)0.088 (5)0.006 (4)0.027 (3)
Geometric parameters (Å, º) top
Fe3—C28i1.802 (4)C5—H5A0.9300
Fe3—C28ii1.802 (4)C4—C91.387 (5)
Fe3—C281.802 (4)C3—O31.138 (4)
Fe3—S42.3481 (10)C2—O21.128 (4)
Fe3—S4i2.3481 (10)C1—O11.128 (4)
Fe3—S4ii2.3481 (10)C25—C201.380 (5)
Fe4—S4i2.5440 (9)C25—C241.387 (5)
Fe4—S4ii2.5440 (9)C25—H25A0.9300
Fe4—S4iii2.5440 (9)C17—C161.388 (5)
Fe4—S42.5440 (9)C17—H17A0.9300
Fe4—S4iv2.5440 (9)C22—C211.390 (5)
Fe4—S4v2.5440 (9)C22—C231.391 (5)
S4—C291.789 (3)C22—C261.508 (5)
C30—C311.392 (5)C8—C91.375 (5)
C30—C291.389 (5)C8—C71.378 (6)
C30—H30A0.9300C8—H8A0.9300
C29—C341.376 (5)C16—C151.375 (6)
O4—C281.136 (4)C16—H16A0.9300
C32—C311.383 (6)C6—C71.401 (6)
C32—C331.377 (6)C6—C111.509 (5)
C32—C361.518 (5)C7—C101.514 (5)
C34—C331.393 (5)C23—C241.379 (6)
C34—H34A0.9300C23—C271.514 (5)
C31—C351.511 (6)C20—C211.392 (5)
C33—H33A0.9300C13—C141.398 (5)
C36—H36A0.9600C13—H13A0.9300
C36—H36B0.9600C11—H11A0.9600
C36—H36C0.9600C11—H11B0.9600
C35—H35A0.9600C11—H11C0.9600
C35—H35B0.9600C9—H9A0.9300
C35—H35C0.9600C15—C141.393 (6)
Fe1—C11.801 (4)C15—C191.514 (5)
Fe1—C31.803 (4)C21—H21A0.9300
Fe1—C21.807 (4)C24—H24A0.9300
Fe1—S22.3386 (9)C27—H27A0.9600
Fe1—S12.3436 (9)C27—H27B0.9600
Fe1—S32.3589 (9)C27—H27C0.9600
Fe2—S1vi2.4726 (8)C14—C181.514 (6)
Fe2—S12.4726 (8)C26—H26A0.9600
Fe2—S2vi2.5207 (8)C26—H26B0.9600
Fe2—S22.5207 (8)C26—H26C0.9600
Fe2—S32.5733 (8)C19—H19A0.9600
Fe2—S3vi2.5733 (8)C19—H19B0.9600
S2—C121.781 (3)C19—H19C0.9600
S3—C201.788 (3)C10—H10A0.9600
S1—C41.784 (3)C10—H10B0.9600
C12—C131.378 (5)C10—H10C0.9600
C12—C171.390 (5)C18—H18A0.9600
C5—C61.392 (5)C18—H18B0.9600
C5—C41.387 (5)C18—H18C0.9600
C28i—Fe3—C28ii92.80 (17)C20—S3—Fe2116.82 (11)
C28i—Fe3—C2892.80 (17)Fe1—S3—Fe281.20 (3)
C28ii—Fe3—C2892.80 (17)C4—S1—Fe1111.04 (11)
C28i—Fe3—S4173.78 (13)C4—S1—Fe2115.38 (11)
C28ii—Fe3—S490.39 (12)Fe1—S1—Fe283.67 (3)
C28—Fe3—S492.38 (12)C13—C12—C17118.9 (3)
C28i—Fe3—S4i92.38 (12)C13—C12—S2118.5 (3)
C28ii—Fe3—S4i173.78 (13)C17—C12—S2122.4 (3)
C28—Fe3—S4i90.39 (12)C6—C5—C4121.6 (3)
S4—Fe3—S4i84.14 (4)C6—C5—H5A119.2
C28i—Fe3—S4ii90.39 (12)C4—C5—H5A119.2
C28ii—Fe3—S4ii92.38 (12)C9—C4—C5118.9 (3)
C28—Fe3—S4ii173.78 (13)C9—C4—S1118.0 (3)
S4—Fe3—S4ii84.14 (4)C5—C4—S1123.1 (3)
S4i—Fe3—S4ii84.14 (4)O3—C3—Fe1179.5 (6)
S4i—Fe4—S4ii76.41 (3)O2—C2—Fe1178.9 (4)
S4i—Fe4—S4iii103.59 (3)O1—C1—Fe1178.6 (4)
S4ii—Fe4—S4iii180.00 (4)C20—C25—C24119.9 (4)
S4i—Fe4—S476.41 (3)C20—C25—H25A120.0
S4ii—Fe4—S476.41 (3)C24—C25—H25A120.0
S4iii—Fe4—S4103.59 (3)C16—C17—C12119.5 (3)
S4i—Fe4—S4iv180.00 (4)C16—C17—H17A120.2
S4ii—Fe4—S4iv103.59 (3)C12—C17—H17A120.2
S4iii—Fe4—S4iv76.41 (3)C21—C22—C23119.7 (3)
S4—Fe4—S4iv103.59 (3)C21—C22—C26119.4 (3)
S4i—Fe4—S4v103.59 (3)C23—C22—C26121.0 (4)
S4ii—Fe4—S4v103.59 (3)C9—C8—C7122.1 (4)
S4iii—Fe4—S4v76.41 (3)C9—C8—H8A119.0
S4—Fe4—S4v180.00 (4)C7—C8—H8A119.0
S4iv—Fe4—S4v76.41 (3)C15—C16—C17121.8 (4)
C29—S4—Fe3110.38 (12)C15—C16—H16A119.1
C29—S4—Fe4115.47 (12)C17—C16—H16A119.1
Fe3—S4—Fe483.74 (3)C5—C6—C7118.8 (4)
C31—C30—C29121.4 (4)C5—C6—C11119.6 (3)
C31—C30—H30A119.3C7—C6—C11121.6 (3)
C29—C30—H30A119.3C8—C7—C6118.9 (4)
C34—C29—C30118.9 (3)C8—C7—C10119.6 (4)
C34—C29—S4118.9 (3)C6—C7—C10121.5 (4)
C30—C29—S4122.2 (3)C24—C23—C22118.3 (3)
C31—C32—C33118.6 (4)C24—C23—C27120.3 (4)
C31—C32—C36121.8 (4)C22—C23—C27121.4 (4)
C33—C32—C36119.6 (4)C25—C20—C21118.3 (3)
O4—C28—Fe3176.6 (4)C25—C20—S3119.2 (3)
C29—C34—C33119.4 (4)C21—C20—S3122.5 (3)
C29—C34—H34A120.3C12—C13—C14121.6 (4)
C33—C34—H34A120.3C12—C13—H13A119.2
C32—C31—C30119.6 (4)C14—C13—H13A119.2
C32—C31—C35121.6 (4)C6—C11—H11A109.5
C30—C31—C35118.8 (4)C6—C11—H11B109.5
C32—C33—C34122.1 (4)H11A—C11—H11B109.5
C32—C33—H33A118.9C6—C11—H11C109.5
C34—C33—H33A118.9H11A—C11—H11C109.5
C32—C36—H36A109.5H11B—C11—H11C109.5
C32—C36—H36B109.5C8—C9—C4119.7 (4)
H36A—C36—H36B109.5C8—C9—H9A120.1
C32—C36—H36C109.5C4—C9—H9A120.1
H36A—C36—H36C109.5C16—C15—C14119.0 (3)
H36B—C36—H36C109.5C16—C15—C19119.5 (4)
C31—C35—H35A109.5C14—C15—C19121.5 (4)
C31—C35—H35B109.5C22—C21—C20121.7 (3)
H35A—C35—H35B109.5C22—C21—H21A119.2
C31—C35—H35C109.5C20—C21—H21A119.2
H35A—C35—H35C109.5C23—C24—C25122.2 (4)
H35B—C35—H35C109.5C23—C24—H24A118.9
C1—Fe1—C395.14 (17)C25—C24—H24A118.9
C1—Fe1—C294.56 (16)C23—C27—H27A109.5
C3—Fe1—C294.67 (17)C23—C27—H27B109.5
C1—Fe1—S288.78 (12)H27A—C27—H27B109.5
C3—Fe1—S292.12 (12)C23—C27—H27C109.5
C2—Fe1—S2172.13 (12)H27A—C27—H27C109.5
C1—Fe1—S1173.89 (12)H27B—C27—H27C109.5
C3—Fe1—S186.71 (13)C15—C14—C13119.1 (4)
C2—Fe1—S191.08 (12)C15—C14—C18121.8 (4)
S2—Fe1—S185.33 (3)C13—C14—C18119.1 (4)
C1—Fe1—S391.92 (12)C22—C26—H26A109.5
C3—Fe1—S3171.31 (13)C22—C26—H26B109.5
C2—Fe1—S389.81 (13)H26A—C26—H26B109.5
S2—Fe1—S382.94 (3)C22—C26—H26C109.5
S1—Fe1—S385.76 (3)H26A—C26—H26C109.5
S1vi—Fe2—S1180.00 (5)H26B—C26—H26C109.5
S1vi—Fe2—S2vi78.91 (3)C15—C19—H19A109.5
S1—Fe2—S2vi101.09 (3)C15—C19—H19B109.5
S1vi—Fe2—S2101.09 (3)H19A—C19—H19B109.5
S1—Fe2—S278.91 (3)C15—C19—H19C109.5
S2vi—Fe2—S2180.00 (5)H19A—C19—H19C109.5
S1vi—Fe2—S3101.31 (3)H19B—C19—H19C109.5
S1—Fe2—S378.69 (3)C7—C10—H10A109.5
S2vi—Fe2—S3104.72 (3)C7—C10—H10B109.5
S2—Fe2—S375.28 (3)H10A—C10—H10B109.5
S1vi—Fe2—S3vi78.69 (3)C7—C10—H10C109.5
S1—Fe2—S3vi101.31 (3)H10A—C10—H10C109.5
S2vi—Fe2—S3vi75.28 (3)H10B—C10—H10C109.5
S2—Fe2—S3vi104.72 (3)C14—C18—H18A109.5
S3—Fe2—S3vi180.00 (7)C14—C18—H18B109.5
C12—S2—Fe1112.01 (11)H18A—C18—H18B109.5
C12—S2—Fe2117.88 (12)C14—C18—H18C109.5
Fe1—S2—Fe282.72 (3)H18A—C18—H18C109.5
C20—S3—Fe1109.96 (11)H18B—C18—H18C109.5
Symmetry codes: (i) y, xy, z; (ii) x+y, x, z; (iii) xy, x, z+2; (iv) y, x+y, z+2; (v) x, y, z+2; (vi) x+1, y, z.
 

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