trans-Di­aqua­tetra­kis­(tetra­hydro­furan-κO)iron(II) μ-carbonyl-tetra­deca­carbonyl­tetra­chlorido-μ-di­methyl­silanediolato-tetra­galliumtetra­iron(7 Ga–Fe)(Fe–Fe) tetra­hydro­furan tetrasolvate

Demmin, M.E.; Bauer, C.; Ruf, M.; Harakas, G.N.

doi:10.1107/S2414314624006205

trans-Diaquatetrakis(tetrahydrofuran-κO)iron(II) μ-carbonyl-tetradecacarbonyltetrachlorido-μ-dimethylsilanediolato-tetragalliumtetrairon(7 Ga–Fe)(Fe–Fe) tetrahydrofuran tetrasolvate

M. E. Demmin, C. Bauer, M. Ruf and G. N. Harakas

The title compound, [Fe(C₄H₈O)₄(H₂O)₂][Fe₄Ga₄(C₂H₆O₂Si)Cl₄(CO)₁₅]·4C₄H₈O, consists of an iron(II) cation octahedrally coordinated by two water molecules (trans) with four tetrahydrofurans (THF) at equatorial sites. Two additional THF molecules are hydrogen bonded to each of the water molecules. The dianion of the title compound is an organometallic butterfly complex with a dimethyl siloxane core and two iron-gallium fragments. The lengths of the iron to gallium metal–metal bonds range from 2.3875 (6) to 2.4912 (6) Å.

Keywords: crystal structure; organometallic; iron; gallium; siloxane; hydrogen bonding.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S2414314624006205/bt4151sup1.cif Contains datablocks global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S2414314624006205/bt4151Isup2.hkl Contains datablock I

CCDC reference: 2365148

checkCIF report

Key indicators

Structure: I

Single-crystal X-ray study
T = 203 K
Mean (C-C) = 0.008 Å
Disorder in solvent or counterion
R factor = 0.041
wR factor = 0.100
Data-to-parameter ratio = 19.6

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT241_ALERT_2_B High   'MainMol' Ueq as Compared to Neighbors of       C2_1 Check
PLAT241_ALERT_2_B High   'MainMol' Ueq as Compared to Neighbors of       C2_4 Check
PLAT241_ALERT_2_B High   'MainMol' Ueq as Compared to Neighbors of       C4_4 Check
PLAT242_ALERT_2_B Low    'MainMol' Ueq as Compared to Neighbors of       O1_4 Check
PLAT242_ALERT_2_B Low    'MainMol' Ueq as Compared to Neighbors of       C3_1 Check
PLAT242_ALERT_2_B Low    'MainMol' Ueq as Compared to Neighbors of       C3_4 Check
PLAT910_ALERT_3_B Missing # of FCF Reflection(s) Below Theta(Min).         20 Note
                1  0  0,   1  1  0,   0  2  0,  -1  1  1,   0  1  1,   1  1  1,
                0  2  1,  -1  0  2,   0  0  2,   1  0  2,  -1  1  2,   0  1  2,
                1  1  2,  -1  1  3,   0  1  3,   1  1  3,  -1  0  4,   0  0  4,
                1  0  4,   0  1  4,

Alert level C
PLAT042_ALERT_1_C Calc. and Reported MoietyFormula Strings  Differ     Please Check
              Calc: C17 H6 Cl4 Fe4 Ga4 O17 Si, C16 H36 Fe O6, 4(C4 H8 O)
              Rep.: C17 H6 Cl4 Fe4 Ga4 O17 Si, C32 H68 Fe O10
PLAT214_ALERT_2_C Atom C4_6      (Anion/Solvent) ADP max/min Ratio        4.7 prolat
PLAT223_ALERT_4_C Solv./Anion  Resd 2  H   Ueq(max)/Ueq(min) Range        4.5 Ratio
PLAT241_ALERT_2_C High   'MainMol' Ueq as Compared to Neighbors of       C4_1 Check
PLAT241_ALERT_2_C High   'MainMol' Ueq as Compared to Neighbors of       C1_2 Check
PLAT241_ALERT_2_C High   'MainMol' Ueq as Compared to Neighbors of       C2_3 Check
PLAT242_ALERT_2_C Low    'MainMol' Ueq as Compared to Neighbors of        Ga1 Check
PLAT242_ALERT_2_C Low    'MainMol' Ueq as Compared to Neighbors of       O1_1 Check
PLAT242_ALERT_2_C Low    'MainMol' Ueq as Compared to Neighbors of       O1_3 Check
PLAT242_ALERT_2_C Low    'MainMol' Ueq as Compared to Neighbors of       C1_1 Check
PLAT242_ALERT_2_C Low    'MainMol' Ueq as Compared to Neighbors of       C1_4 Check
PLAT243_ALERT_4_C High   'Solvent' Ueq as Compared to Neighbors of       C2_5 Check
PLAT243_ALERT_4_C High   'Solvent' Ueq as Compared to Neighbors of       C3_8 Check
PLAT244_ALERT_4_C Low    'Solvent' Ueq as Compared to Neighbors of       O1_8 Check
PLAT250_ALERT_2_C Large U3/U1 Ratio for <U(i,j)> Tensor(Resd    2)        2.2 Note
PLAT260_ALERT_2_C Large Average Ueq of Residue Including      O1_7      0.120 Check
PLAT260_ALERT_2_C Large Average Ueq of Residue Including      O1_8      0.106 Check
PLAT260_ALERT_2_C Large Average Ueq of Residue Including     O1_10      0.137 Check
PLAT260_ALERT_2_C Large Average Ueq of Residue Including      O1_6      0.151 Check
PLAT260_ALERT_2_C Large Average Ueq of Residue Including      O1_9      0.110 Check
PLAT341_ALERT_3_C Low Bond Precision on  C-C Bonds ...............    0.00778 Ang.
PLAT360_ALERT_2_C Short  C(sp3)-C(sp3) Bond  C2_1     - C3_1     .       1.42 Ang.
PLAT360_ALERT_2_C Short  C(sp3)-C(sp3) Bond  C1_3     - C2_3     .       1.43 Ang.
PLAT360_ALERT_2_C Short  C(sp3)-C(sp3) Bond  C2_3     - C3_3     .       1.41 Ang.
PLAT360_ALERT_2_C Short  C(sp3)-C(sp3) Bond  C2_4     - C3_4     .       1.40 Ang.
PLAT360_ALERT_2_C Short  C(sp3)-C(sp3) Bond  C3_4     - C4_4     .       1.43 Ang.
PLAT360_ALERT_2_C Short  C(sp3)-C(sp3) Bond  C2_8     - C3_8     .       1.42 Ang.
PLAT430_ALERT_2_C Short Inter D...A Contact  O6_12    ..O6_12    .       2.89 Ang.
                                                1-x,1-y,1-z  =      3_666 Check
PLAT761_ALERT_1_C CIF Contains no X-H Bonds ......................     Please Check
PLAT762_ALERT_1_C CIF Contains no X-Y-H or H-Y-H Angles ..........     Please Check
PLAT906_ALERT_3_C Large K Value in the Analysis of Variance ......      3.239 Check
PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF ....          4 Note
                1  1  0,  -1  0  2,   0  0  4,  -1  1  4,
PLAT977_ALERT_2_C Check Negative Difference Density on H2A_1     .      -0.34 eA-3
PLAT977_ALERT_2_C Check Negative Difference Density on H4B_2     .      -0.32 eA-3

Alert level G
PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite         56 Note
PLAT013_ALERT_1_G N.O.K.   _shelx_hkl_checksum Found in CIF ......     Please Check
PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT  Unusually Large       9.84 Why ?
PLAT168_ALERT_4_G The CIF-Embedded .res File Contains EXYZ Records          1 Report
PLAT172_ALERT_4_G The CIF-Embedded .res File Contains DFIX Records          2 Report
PLAT175_ALERT_4_G The CIF-Embedded .res File Contains SAME Records          1 Report
PLAT176_ALERT_4_G The CIF-Embedded .res File Contains SADI Records          1 Report
PLAT191_ALERT_3_G A Non-default SADI Restraint Value has been used     0.0100 Report
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Fe1      --C5_12    .        7.5 s.u.
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Fe1      --C7_12    .        5.5 s.u.
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Fe1      --C8_12    .        6.3 s.u.
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Fe2      --C2_13    .        6.4 s.u.
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Fe2      --C3_13    .        6.0 s.u.
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Fe3      --C4_12    .        5.5 s.u.
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Fe4      --C6_13    .        5.5 s.u.
PLAT302_ALERT_4_G Anion/Solvent/Minor-Residue Disorder (Resd    4)       100% Note
PLAT302_ALERT_4_G Anion/Solvent/Minor-Residue Disorder (Resd    6)       100% Note
PLAT302_ALERT_4_G Anion/Solvent/Minor-Residue Disorder (Resd    7)       100% Note
PLAT302_ALERT_4_G Anion/Solvent/Minor-Residue Disorder (Resd    8)       100% Note
PLAT304_ALERT_4_G Non-Integer Number of Atoms in ..... (Resd    4)       6.63 Check
PLAT304_ALERT_4_G Non-Integer Number of Atoms in ..... (Resd    6)       6.76 Check
PLAT304_ALERT_4_G Non-Integer Number of Atoms in ..... (Resd    7)       6.37 Check
PLAT304_ALERT_4_G Non-Integer Number of Atoms in ..... (Resd    8)       6.24 Check
PLAT398_ALERT_2_G Deviating  C-O-C   Angle From 120 for O1_5     .      107.9 Degree
PLAT398_ALERT_2_G Deviating  C-O-C   Angle From 120 for O1_7     .      107.2 Degree
PLAT398_ALERT_2_G Deviating  C-O-C   Angle From 120 for O1_8     .      108.3 Degree
PLAT398_ALERT_2_G Deviating  C-O-C   Angle From 120 for O1_10    .      108.4 Degree
PLAT398_ALERT_2_G Deviating  C-O-C   Angle From 120 for O1_6     .      107.5 Degree
PLAT411_ALERT_2_G Short Inter H...H Contact  H3B_2    ..H2A_6    .       2.10 Ang.
                                                   -1+x,y,z  =      1_455 Check
PLAT760_ALERT_1_G CIF Contains no Torsion Angles .................          ? Info
PLAT794_ALERT_5_G Tentative Bond Valency for Fe5       (II)      .       2.11 Info
PLAT860_ALERT_3_G Number of Least-Squares Restraints .............        471 Note
PLAT883_ALERT_1_G No Info/Value for _atom_sites_solution_primary .     Please Do !
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600         33 Note
PLAT933_ALERT_2_G Number of HKL-OMIT Records in Embedded .res File          8 Note
                0  0  4,   1  1  0,   0  1  4,   1  0  4,  -1  1  2,   0  2  1,
                1  1  1,  -1  1  1,
PLAT969_ALERT_5_G The 'Henn et al.' R-Factor-gap value ...........      4.453 Note
              Predicted wR2: Based on SigI   2  2.26 or SHELX Weight  9.66       
PLAT978_ALERT_2_G Number C-C Bonds with Positive Residual Density.          0 Info

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

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

Computing details top

trans-Diaquatetrakis(tetrahydrofuran-κO)iron(II) µ-carbonyl-tetradecacarbonyltetrachlorido-µ-dimethylsilanediolato-tetragalliumtetrairon(7 Ga–Fe)(Fe–Fe) tetrahydrofuran tetrasolvate top

Crystal data top

[Fe(C₄H₈O)₄(H₂O)₂][Fe₄Ga₄(C₂H₆O₂Si)Cl₄(CO)₁₅]·4C₄H₈O	F(000) = 3680
M_r = 1823.10	D_x = 1.674 Mg m⁻³
Monoclinic, P2₁/c	Mo Kα radiation, λ = 0.71073 Å
a = 12.1954 (6) Å	Cell parameters from 9631 reflections
b = 15.2657 (7) Å	θ = 2.5–27.8°
c = 39.0300 (16) Å	µ = 2.68 mm⁻¹
β = 95.5629 (16)°	T = 203 K
V = 7232.0 (6) Å³	Block, orange
Z = 4	0.15 × 0.13 × 0.06 mm

Data collection top

Bruker D8 Quest Eco, Photon II 7 diffractometer	14164 reflections with I > 2σ(I)
Detector resolution: 7.3910 pixels mm^-1	R_int = 0.038
phi and ω scans	θ_max = 28.3°, θ_min = 2.9°
Absorption correction: multi-scan (SADABS; Krause et al., 2015)	h = −16→16
T_min = 0.65, T_max = 0.75	k = −20→20
157023 measured reflections	l = −52→52
17970 independent reflections

Refinement top

Refinement on F²	471 restraints
Least-squares matrix: full	Hydrogen site location: mixed
R[F² > 2σ(F²)] = 0.041	H atoms treated by a mixture of independent and constrained refinement
wR(F²) = 0.100	w = 1/[σ²(F_o²) + (0.039P)² + 9.8448P] where P = (F_o² + 2F_c²)/3
S = 1.04	(Δ/σ)_max = 0.003
17970 reflections	Δρ_max = 0.86 e Å⁻³
919 parameters	Δρ_min = −0.52 e Å⁻³

Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq	Occ. (<1)
Ga1	0.77957 (3)	0.40052 (2)	0.58089 (2)	0.04592 (9)
Ga2	0.68040 (3)	0.22925 (2)	0.59417 (2)	0.03728 (8)
Ga3	0.79472 (3)	0.09718 (2)	0.64778 (2)	0.04118 (8)
Ga4	1.00953 (3)	0.12783 (2)	0.68890 (2)	0.04801 (9)
Fe1	0.60664 (4)	0.34838 (3)	0.55484 (2)	0.04806 (12)
Fe2	0.60697 (4)	0.15225 (3)	0.64124 (2)	0.04336 (11)
Fe3	0.89249 (5)	0.00230 (3)	0.69235 (2)	0.05294 (13)
Fe4	0.70437 (4)	0.07230 (3)	0.59034 (2)	0.04596 (12)
Cl2	0.91426 (9)	0.42695 (9)	0.54905 (3)	0.0883 (4)
Cl3	1.03304 (11)	0.22061 (7)	0.73190 (3)	0.0757 (3)
Cl4	1.17461 (9)	0.11436 (7)	0.67154 (3)	0.0738 (3)
Si1	0.93847 (7)	0.27812 (5)	0.63190 (2)	0.03962 (18)
Fe5	0.26811 (3)	0.68605 (3)	0.62708 (2)	0.03695 (10)
Cl1	0.77826 (10)	0.51465 (6)	0.61509 (3)	0.0793 (3)
O51	0.34485 (19)	0.59098 (14)	0.65940 (6)	0.0482 (5)
H51A	0.318 (2)	0.5355 (11)	0.6666 (8)	0.058 (11)*
H51B	0.4193 (9)	0.594 (2)	0.6697 (6)	0.082 (14)*
O52	0.19090 (19)	0.77799 (15)	0.59388 (7)	0.0532 (6)
C1	1.0537 (3)	0.2641 (3)	0.60489 (11)	0.0657 (11)
H1A	1.069947	0.320358	0.594369	0.099000*
H1B	1.033151	0.221062	0.586778	0.099000*
H1C	1.119094	0.243551	0.619206	0.099000*
C2	0.9661 (4)	0.3679 (2)	0.66305 (10)	0.0647 (11)
H2A	0.970605	0.423386	0.650663	0.097000*
H2B	1.035988	0.356934	0.676979	0.097000*
H2C	0.906348	0.371037	0.678088	0.097000*
H52A	0.213 (3)	0.8359 (10)	0.5881 (8)	0.078000*
H52B	0.1181 (12)	0.771 (2)	0.5826 (7)	0.078000*
O1_1	0.2295 (2)	0.58691 (14)	0.58859 (6)	0.0506 (6)
C1_1	0.2257 (5)	0.6008 (3)	0.55217 (10)	0.0894 (16)
H1A_1	0.294257	0.629295	0.546226	0.107000*
H1B_1	0.162362	0.638508	0.544116	0.107000*
C2_1	0.2140 (9)	0.5155 (4)	0.53664 (14)	0.173 (4)
H2A_1	0.137893	0.507920	0.525741	0.208000*
H2B_1	0.265172	0.509773	0.518553	0.208000*
C3_1	0.2379 (5)	0.4500 (3)	0.56229 (12)	0.0845 (14)
H3A_1	0.315218	0.429823	0.562805	0.101000*
H3B_1	0.188116	0.398980	0.558313	0.101000*
C4_1	0.2186 (6)	0.4957 (3)	0.59413 (11)	0.101 (2)
H4A_1	0.143804	0.482409	0.600503	0.121000*
H4B_1	0.272865	0.476340	0.613139	0.121000*
O1_2	0.11247 (19)	0.67109 (14)	0.64724 (7)	0.0509 (6)
C1_2	0.0384 (4)	0.7421 (3)	0.65381 (14)	0.0774 (13)
H1A_2	0.011183	0.771229	0.631971	0.093000*
H1B_2	0.077119	0.786094	0.669206	0.093000*
C2_2	−0.0537 (4)	0.7037 (3)	0.67018 (12)	0.0699 (11)
H2A_2	−0.119648	0.698092	0.653398	0.084000*
H2B_2	−0.072662	0.740411	0.689661	0.084000*
C3_2	−0.0142 (3)	0.6158 (2)	0.68256 (10)	0.0613 (10)
H3A_2	0.022860	0.619034	0.706235	0.074000*
H3B_2	−0.075841	0.573405	0.682095	0.074000*
C4_2	0.0645 (3)	0.5911 (2)	0.65752 (12)	0.0644 (11)
H4A_2	0.122039	0.551495	0.668367	0.077000*
H4B_2	0.025728	0.561079	0.637383	0.077000*
O1_3	0.3085 (2)	0.77824 (15)	0.66755 (6)	0.0536 (6)
C1_3	0.3265 (5)	0.8703 (3)	0.66421 (13)	0.0911 (16)
H1A_3	0.263766	0.897553	0.650108	0.109000*
H1B_3	0.394474	0.881069	0.652876	0.109000*
C2_3	0.3370 (7)	0.9069 (4)	0.69824 (15)	0.128 (3)
H2A_3	0.410279	0.934671	0.702991	0.154000*
H2B_3	0.280088	0.952499	0.699999	0.154000*
C3_3	0.3244 (7)	0.8401 (4)	0.72266 (14)	0.116 (2)
H3A_3	0.261318	0.853389	0.735954	0.139000*
H3B_3	0.391728	0.835410	0.738900	0.139000*
C4_3	0.3051 (5)	0.7581 (3)	0.70368 (10)	0.0829 (14)
H4A_3	0.362617	0.714627	0.711275	0.099000*
H4B_3	0.232325	0.733475	0.707726	0.099000*
O1_4	0.42211 (19)	0.70737 (15)	0.60597 (7)	0.0531 (6)
C1_4	0.5081 (4)	0.6456 (3)	0.60289 (19)	0.110 (2)
H1A_4	0.480296	0.593961	0.589349	0.133000*
H1B_4	0.540106	0.625686	0.625851	0.133000*
C2_4	0.5903 (6)	0.6936 (5)	0.5849 (3)	0.217 (6)
H2A_4	0.648189	0.718019	0.601808	0.260000*
H2B_4	0.625642	0.653791	0.569263	0.260000*
C3_4	0.5347 (5)	0.7614 (4)	0.56616 (15)	0.1048 (19)
H3A_4	0.502622	0.740899	0.543286	0.126000*
H3B_4	0.583984	0.811799	0.563172	0.126000*
C4_4	0.4508 (6)	0.7831 (4)	0.5880 (2)	0.168 (4)
H4A_4	0.478028	0.829088	0.604591	0.201000*
H4B_4	0.385076	0.806115	0.573964	0.201000*
O1_5	0.2774 (2)	0.43712 (15)	0.68269 (6)	0.0570 (6)
C1_5	0.2724 (4)	0.4325 (3)	0.71875 (10)	0.0734 (12)
H1A_5	0.194733	0.433082	0.724138	0.088000*
H1B_5	0.310705	0.483414	0.730177	0.088000*
C2_5	0.3261 (6)	0.3509 (4)	0.73089 (12)	0.106 (2)
H2A_5	0.384336	0.362976	0.749772	0.127000*
H2B_5	0.271653	0.310418	0.739563	0.127000*
C3_5	0.3738 (4)	0.3122 (3)	0.70159 (11)	0.0790 (13)
H3A_5	0.362096	0.248056	0.700858	0.095000*
H3B_5	0.453791	0.324320	0.702726	0.095000*
C4_5	0.3150 (4)	0.3547 (2)	0.67147 (10)	0.0643 (10)
H4A_5	0.364952	0.362976	0.653191	0.077000*
H4B_5	0.251896	0.318213	0.662173	0.077000*
O1_6	0.5518 (10)	0.5996 (9)	0.6887 (6)	0.116 (7)	0.49 (2)
C1_6	0.6063 (18)	0.5196 (10)	0.6939 (7)	0.153 (12)	0.49 (2)
H1A_6	0.618835	0.492660	0.671514	0.184000*	0.49 (2)
H1B_6	0.561776	0.478748	0.706559	0.184000*	0.49 (2)
C2_6	0.7088 (11)	0.5374 (11)	0.7134 (5)	0.090 (6)	0.49 (2)
H2A_6	0.767292	0.548791	0.698065	0.108000*	0.49 (2)
H2B_6	0.731537	0.487634	0.728732	0.108000*	0.49 (2)
C3_6	0.688 (2)	0.6143 (15)	0.7331 (5)	0.153 (12)	0.49 (2)
H3A_6	0.756149	0.647302	0.740068	0.184000*	0.49 (2)
H3B_6	0.650236	0.599680	0.753772	0.184000*	0.49 (2)
C4_6	0.614 (2)	0.6623 (8)	0.7072 (7)	0.24 (2)	0.49 (2)
H4A_6	0.566391	0.703173	0.718599	0.292000*	0.49 (2)
H4B_6	0.658263	0.696424	0.691798	0.292000*	0.49 (2)
O1_7	0.5265 (8)	0.5944 (8)	0.7013 (3)	0.071 (3)	0.51 (2)
C1_7	0.5886 (11)	0.5193 (6)	0.7071 (5)	0.085 (5)	0.51 (2)
H1A_7	0.591833	0.486304	0.685422	0.102000*	0.51 (2)
H1B_7	0.555783	0.481053	0.723912	0.102000*	0.51 (2)
C2_7	0.6970 (13)	0.5465 (11)	0.7205 (7)	0.135 (11)	0.51 (2)
H2A_7	0.753719	0.513401	0.709404	0.162000*	0.51 (2)
H2B_7	0.708271	0.536484	0.745683	0.162000*	0.51 (2)
C3_7	0.7038 (10)	0.6385 (9)	0.7129 (6)	0.113 (7)	0.51 (2)
H3A_7	0.725255	0.648959	0.689421	0.136000*	0.51 (2)
H3B_7	0.755151	0.669629	0.729928	0.136000*	0.51 (2)
C4_7	0.5875 (11)	0.6627 (11)	0.7159 (6)	0.193 (14)	0.51 (2)
H4A_7	0.574103	0.670133	0.740374	0.232000*	0.51 (2)
H4B_7	0.568537	0.718069	0.703500	0.232000*	0.51 (2)
O1_8	0.2402 (3)	0.93500 (16)	0.57058 (8)	0.0738 (8)
C1_8	0.2805 (6)	0.9465 (3)	0.53812 (13)	0.106 (2)
H1A_8	0.250871	0.900473	0.521930	0.128000*
H1B_8	0.361969	0.942784	0.540390	0.128000*
C2_8	0.2450 (7)	1.0325 (4)	0.52549 (15)	0.125 (3)
H2A_8	0.305105	1.062485	0.514811	0.150000*
H2B_8	0.180427	1.027367	0.508166	0.150000*
C3_8	0.2168 (7)	1.0795 (3)	0.55489 (15)	0.132 (3)
H3A_8	0.144215	1.108166	0.549842	0.158000*
H3B_8	0.272525	1.125445	0.561170	0.158000*
C4_8	0.2130 (5)	1.0178 (3)	0.58307 (13)	0.0936 (17)
H4A_8	0.266317	1.034944	0.602677	0.112000*
H4B_8	0.138347	1.016605	0.591010	0.112000*
O1_9	0.0034 (12)	0.7454 (16)	0.5560 (4)	0.135 (10)	0.48 (2)
C1_9	−0.0130 (15)	0.7815 (14)	0.5230 (5)	0.102 (8)	0.48 (2)
H1A_9	0.055067	0.778042	0.511205	0.123000*	0.48 (2)
H1B_9	−0.036108	0.843574	0.524052	0.123000*	0.48 (2)
C2_9	−0.0987 (14)	0.7289 (14)	0.5058 (3)	0.103 (7)	0.48 (2)
H2A_9	−0.066565	0.681985	0.492429	0.123000*	0.48 (2)
H2B_9	−0.147241	0.765433	0.489797	0.123000*	0.48 (2)
C3_9	−0.160 (2)	0.692 (2)	0.5316 (5)	0.140 (13)	0.48 (2)
H3A_9	−0.179678	0.629910	0.525992	0.168000*	0.48 (2)
H3B_9	−0.229350	0.724934	0.533372	0.168000*	0.48 (2)
C4_9	−0.0904 (11)	0.6966 (10)	0.5635 (2)	0.066 (4)	0.48 (2)
H4A_9	−0.128906	0.726350	0.581435	0.080000*	0.48 (2)
H4B_9	−0.068544	0.637199	0.571792	0.080000*	0.48 (2)
O1_10	−0.0063 (9)	0.7554 (11)	0.5592 (3)	0.074 (4)	0.52 (2)
C1_10	−0.0446 (16)	0.8027 (12)	0.5299 (6)	0.123 (9)	0.52 (2)
H1A_10	0.013766	0.807664	0.514109	0.148000*	0.52 (2)
H1B_10	−0.066544	0.862472	0.536422	0.148000*	0.52 (2)
C2_10	−0.138 (2)	0.7563 (13)	0.5136 (7)	0.166 (12)	0.52 (2)
H2A_10	−0.134177	0.754275	0.488358	0.200000*	0.52 (2)
H2B_10	−0.207195	0.785895	0.518197	0.200000*	0.52 (2)
C3_10	−0.1346 (19)	0.6690 (11)	0.5276 (5)	0.105 (8)	0.52 (2)
H3A_10	−0.209824	0.647464	0.530313	0.126000*	0.52 (2)
H3B_10	−0.098524	0.628085	0.512507	0.126000*	0.52 (2)
C4_10	−0.071 (2)	0.6776 (16)	0.5604 (6)	0.216 (16)	0.52 (2)
H4A_10	−0.121101	0.682088	0.578926	0.259000*	0.52 (2)
H4B_10	−0.023357	0.625809	0.564948	0.259000*	0.52 (2)
O1_11	0.82171 (16)	0.29850 (12)	0.60764 (5)	0.0362 (4)
O2_11	0.91756 (17)	0.18584 (13)	0.65235 (5)	0.0382 (4)
O1_12	1.0022 (3)	−0.04848 (18)	0.63186 (8)	0.0753 (8)
O2_12	1.0503 (3)	−0.0712 (3)	0.74608 (10)	0.1052 (13)
O3_12	0.7166 (3)	−0.1293 (2)	0.68296 (10)	0.0918 (11)
O4_12	0.7819 (3)	0.1230 (2)	0.73612 (7)	0.0766 (9)
O5_12	0.7440 (3)	0.2532 (2)	0.51010 (8)	0.0814 (9)
O6_12	0.5970 (3)	0.5219 (2)	0.52254 (10)	0.1065 (13)
O7_12	0.4004 (3)	0.2637 (3)	0.52738 (10)	0.0952 (11)
O8_12	0.5260 (2)	0.40701 (19)	0.61909 (8)	0.0686 (7)
C1_12	0.9590 (3)	−0.0278 (2)	0.65536 (11)	0.0586 (9)
C2_12	0.9884 (4)	−0.0446 (3)	0.72526 (12)	0.0704 (11)
C3_12	0.7856 (4)	−0.0789 (2)	0.68688 (11)	0.0668 (11)
C4_12	0.8254 (4)	0.0764 (3)	0.71876 (10)	0.0611 (10)
C5_12	0.6913 (4)	0.2903 (3)	0.52803 (10)	0.0612 (10)
C6_12	0.5982 (4)	0.4535 (3)	0.53427 (11)	0.0719 (12)
C7_12	0.4798 (3)	0.2957 (3)	0.53794 (11)	0.0665 (10)
C8_12	0.5588 (3)	0.3828 (2)	0.59448 (11)	0.0530 (8)
O1_13	0.5019 (3)	−0.00811 (19)	0.61183 (9)	0.0805 (9)
O2_13	0.6932 (3)	0.30366 (18)	0.68131 (7)	0.0671 (7)
O3_13	0.3895 (2)	0.2195 (2)	0.61564 (9)	0.0763 (9)
O4_13	0.5540 (3)	0.0537 (3)	0.70176 (9)	0.1019 (12)
O5_13	0.9073 (3)	0.1146 (2)	0.56012 (9)	0.0860 (10)
O6_13	0.5616 (3)	0.0767 (3)	0.52553 (8)	0.0927 (11)
O7_13	0.7630 (4)	−0.11239 (19)	0.59787 (12)	0.1096 (13)
C1_13	0.5697 (3)	0.0463 (2)	0.61383 (10)	0.0561 (9)
C2_13	0.6626 (3)	0.2446 (2)	0.66472 (9)	0.0485 (8)
C3_13	0.4747 (3)	0.1934 (2)	0.62536 (10)	0.0558 (9)
C4_13	0.5770 (4)	0.0912 (3)	0.67814 (11)	0.0670 (11)
C5_13	0.8286 (3)	0.1022 (3)	0.57329 (10)	0.0584 (9)
C6_13	0.6168 (3)	0.0757 (3)	0.55091 (11)	0.0644 (11)
C7_13	0.7396 (4)	−0.0403 (3)	0.59586 (12)	0.0700 (12)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Ga1	0.04209 (19)	0.03764 (18)	0.0556 (2)	−0.00983 (14)	−0.00741 (15)	0.01288 (15)
Ga2	0.03962 (17)	0.03366 (16)	0.03902 (16)	−0.00954 (13)	0.00611 (13)	−0.00433 (13)
Ga3	0.0520 (2)	0.02605 (15)	0.04740 (19)	−0.00551 (14)	0.01476 (15)	−0.00005 (13)
Ga4	0.0610 (2)	0.03284 (17)	0.0497 (2)	0.00230 (16)	0.00277 (17)	0.01046 (15)
Fe1	0.0433 (3)	0.0511 (3)	0.0474 (3)	−0.0075 (2)	−0.0080 (2)	0.0034 (2)
Fe2	0.0475 (3)	0.0345 (2)	0.0510 (3)	−0.01122 (19)	0.0198 (2)	−0.00626 (19)
Fe3	0.0738 (3)	0.0292 (2)	0.0587 (3)	0.0017 (2)	0.0210 (3)	0.0125 (2)
Fe4	0.0505 (3)	0.0346 (2)	0.0548 (3)	−0.01308 (19)	0.0154 (2)	−0.0167 (2)
Cl2	0.0629 (6)	0.1043 (9)	0.0984 (8)	−0.0179 (6)	0.0120 (6)	0.0548 (7)
Cl3	0.1146 (9)	0.0591 (6)	0.0491 (5)	−0.0039 (6)	−0.0133 (5)	0.0016 (4)
Cl4	0.0568 (6)	0.0654 (6)	0.0993 (8)	0.0085 (5)	0.0073 (5)	0.0160 (6)
Si1	0.0421 (4)	0.0305 (4)	0.0447 (4)	−0.0093 (3)	−0.0039 (3)	0.0082 (3)
Fe5	0.0377 (2)	0.0287 (2)	0.0433 (2)	−0.00448 (16)	−0.00214 (17)	0.00509 (17)
Cl1	0.0753 (7)	0.0368 (5)	0.1177 (9)	0.0003 (4)	−0.0315 (6)	−0.0114 (5)
O51	0.0491 (13)	0.0356 (11)	0.0568 (13)	−0.0027 (10)	−0.0113 (11)	0.0099 (10)
O52	0.0489 (13)	0.0391 (12)	0.0683 (15)	−0.0100 (10)	−0.0106 (11)	0.0208 (11)
C1	0.046 (2)	0.080 (3)	0.072 (2)	−0.0053 (19)	0.0082 (18)	0.029 (2)
C2	0.082 (3)	0.0345 (17)	0.070 (2)	−0.0132 (17)	−0.032 (2)	0.0021 (16)
O1_1	0.0686 (15)	0.0398 (12)	0.0417 (12)	−0.0095 (11)	−0.0037 (11)	0.0015 (9)
C1_1	0.134 (5)	0.082 (3)	0.049 (2)	−0.015 (3)	−0.010 (3)	0.007 (2)
C2_1	0.367 (14)	0.098 (5)	0.060 (3)	−0.043 (7)	0.049 (5)	−0.022 (3)
C3_1	0.105 (4)	0.061 (3)	0.089 (3)	−0.002 (3)	0.014 (3)	−0.024 (2)
C4_1	0.205 (7)	0.043 (2)	0.054 (2)	−0.028 (3)	0.005 (3)	−0.0051 (18)
O1_2	0.0469 (13)	0.0295 (11)	0.0782 (16)	−0.0015 (9)	0.0149 (11)	0.0068 (10)
C1_2	0.070 (3)	0.040 (2)	0.125 (4)	0.0116 (19)	0.029 (3)	0.010 (2)
C2_2	0.064 (3)	0.062 (2)	0.088 (3)	0.010 (2)	0.023 (2)	0.001 (2)
C3_2	0.075 (3)	0.053 (2)	0.058 (2)	−0.0063 (19)	0.0192 (19)	−0.0008 (17)
C4_2	0.058 (2)	0.0364 (18)	0.103 (3)	−0.0052 (16)	0.026 (2)	0.0166 (19)
O1_3	0.0694 (16)	0.0362 (12)	0.0540 (14)	−0.0120 (11)	−0.0002 (11)	−0.0023 (10)
C1_3	0.138 (5)	0.048 (2)	0.086 (3)	−0.036 (3)	0.007 (3)	−0.003 (2)
C2_3	0.219 (8)	0.062 (3)	0.098 (4)	−0.033 (4)	−0.011 (5)	−0.022 (3)
C3_3	0.190 (7)	0.078 (4)	0.078 (3)	0.000 (4)	0.006 (4)	−0.030 (3)
C4_3	0.135 (5)	0.062 (3)	0.050 (2)	−0.006 (3)	0.002 (2)	−0.0050 (19)
O1_4	0.0438 (13)	0.0432 (13)	0.0735 (16)	−0.0046 (10)	0.0114 (11)	0.0091 (11)
C1_4	0.074 (3)	0.080 (3)	0.186 (6)	0.026 (3)	0.056 (4)	0.052 (4)
C2_4	0.142 (6)	0.127 (6)	0.412 (15)	0.065 (5)	0.182 (9)	0.147 (8)
C3_4	0.099 (4)	0.126 (5)	0.093 (4)	−0.038 (4)	0.031 (3)	0.021 (3)
C4_4	0.120 (5)	0.083 (4)	0.323 (11)	0.035 (4)	0.139 (7)	0.105 (6)
O1_5	0.0826 (18)	0.0356 (12)	0.0550 (14)	0.0090 (12)	0.0180 (12)	0.0066 (10)
C1_5	0.106 (4)	0.061 (2)	0.056 (2)	0.017 (2)	0.024 (2)	−0.0015 (19)
C2_5	0.154 (6)	0.105 (4)	0.060 (3)	0.042 (4)	0.018 (3)	0.024 (3)
C3_5	0.099 (4)	0.061 (3)	0.076 (3)	0.025 (2)	0.003 (3)	0.002 (2)
C4_5	0.096 (3)	0.043 (2)	0.055 (2)	0.013 (2)	0.014 (2)	−0.0007 (16)
O1_6	0.089 (8)	0.072 (6)	0.170 (16)	0.003 (6)	−0.068 (9)	0.019 (8)
C1_6	0.134 (17)	0.135 (17)	0.17 (2)	0.061 (13)	−0.075 (14)	−0.091 (15)
C2_6	0.047 (7)	0.094 (11)	0.130 (14)	−0.002 (7)	0.015 (8)	−0.012 (10)
C3_6	0.17 (2)	0.130 (19)	0.143 (17)	0.023 (15)	−0.091 (16)	−0.055 (14)
C4_6	0.114 (16)	0.041 (7)	0.54 (6)	−0.019 (8)	−0.14 (2)	−0.017 (15)
O1_7	0.054 (4)	0.070 (6)	0.082 (5)	−0.011 (3)	−0.028 (4)	−0.018 (4)
C1_7	0.071 (7)	0.044 (6)	0.130 (12)	−0.011 (5)	−0.034 (7)	0.034 (7)
C2_7	0.096 (14)	0.17 (2)	0.133 (17)	0.040 (14)	−0.022 (12)	0.081 (16)
C3_7	0.052 (7)	0.108 (11)	0.175 (18)	−0.020 (6)	−0.010 (9)	−0.008 (11)
C4_7	0.073 (9)	0.23 (2)	0.27 (2)	0.034 (11)	−0.045 (11)	−0.20 (2)
O1_8	0.109 (2)	0.0373 (13)	0.0802 (19)	−0.0065 (14)	0.0343 (17)	0.0116 (13)
C1_8	0.187 (6)	0.058 (3)	0.082 (3)	0.015 (3)	0.054 (4)	0.009 (2)
C2_8	0.205 (8)	0.081 (4)	0.094 (4)	0.041 (4)	0.050 (5)	0.030 (3)
C3_8	0.243 (9)	0.058 (3)	0.105 (4)	0.042 (4)	0.066 (5)	0.022 (3)
C4_8	0.136 (5)	0.061 (3)	0.092 (3)	0.014 (3)	0.053 (3)	0.009 (3)
O1_9	0.077 (10)	0.142 (17)	0.171 (19)	−0.059 (10)	−0.072 (11)	0.080 (13)
C1_9	0.051 (8)	0.143 (18)	0.110 (10)	−0.013 (9)	−0.012 (7)	0.077 (11)
C2_9	0.122 (15)	0.135 (16)	0.047 (6)	0.017 (10)	−0.013 (7)	−0.001 (7)
C3_9	0.097 (12)	0.20 (3)	0.119 (16)	−0.092 (17)	−0.019 (11)	0.000 (17)
C4_9	0.072 (7)	0.087 (8)	0.042 (5)	−0.024 (6)	0.015 (5)	−0.001 (5)
O1_10	0.063 (7)	0.067 (7)	0.087 (8)	−0.018 (5)	−0.022 (6)	0.023 (6)
C1_10	0.073 (11)	0.077 (8)	0.21 (2)	−0.019 (8)	−0.054 (11)	0.082 (10)
C2_10	0.107 (14)	0.124 (15)	0.24 (3)	−0.049 (13)	−0.096 (15)	0.096 (16)
C3_10	0.148 (18)	0.073 (8)	0.085 (11)	−0.028 (9)	−0.034 (10)	0.014 (7)
C4_10	0.154 (18)	0.149 (17)	0.31 (3)	−0.118 (15)	−0.134 (19)	0.137 (19)
O1_11	0.0378 (10)	0.0293 (10)	0.0407 (10)	−0.0088 (8)	−0.0005 (8)	0.0044 (8)
O2_11	0.0460 (12)	0.0270 (9)	0.0413 (11)	−0.0036 (8)	0.0018 (9)	0.0045 (8)
O1_12	0.095 (2)	0.0480 (15)	0.088 (2)	0.0109 (15)	0.0382 (18)	−0.0017 (14)
O2_12	0.114 (3)	0.086 (3)	0.112 (3)	0.006 (2)	−0.005 (2)	0.049 (2)
O3_12	0.101 (3)	0.0608 (19)	0.118 (3)	−0.0283 (18)	0.034 (2)	0.0041 (18)
O4_12	0.108 (2)	0.0662 (18)	0.0603 (16)	0.0095 (17)	0.0331 (16)	−0.0013 (14)
O5_12	0.107 (3)	0.085 (2)	0.0565 (17)	−0.0089 (19)	0.0285 (17)	−0.0046 (15)
O6_12	0.105 (3)	0.079 (2)	0.125 (3)	−0.012 (2)	−0.042 (2)	0.049 (2)
O7_12	0.0637 (19)	0.110 (3)	0.105 (3)	−0.0261 (19)	−0.0254 (18)	−0.015 (2)
O8_12	0.0659 (18)	0.0594 (17)	0.083 (2)	0.0030 (14)	0.0169 (15)	−0.0135 (15)
C1_12	0.078 (3)	0.0260 (15)	0.075 (2)	0.0041 (16)	0.022 (2)	0.0067 (16)
C2_12	0.089 (3)	0.047 (2)	0.077 (3)	0.002 (2)	0.017 (2)	0.024 (2)
C3_12	0.090 (3)	0.0396 (19)	0.075 (3)	−0.001 (2)	0.030 (2)	0.0119 (18)
C4_12	0.084 (3)	0.047 (2)	0.055 (2)	−0.0010 (19)	0.020 (2)	0.0133 (17)
C5_12	0.072 (3)	0.067 (2)	0.0436 (19)	−0.015 (2)	−0.0007 (18)	0.0062 (18)
C6_12	0.064 (3)	0.073 (3)	0.073 (3)	−0.012 (2)	−0.025 (2)	0.019 (2)
C7_12	0.058 (2)	0.072 (3)	0.066 (2)	−0.009 (2)	−0.0116 (19)	−0.003 (2)
C8_12	0.0446 (19)	0.0419 (18)	0.071 (2)	−0.0026 (14)	−0.0030 (17)	−0.0001 (17)
O1_13	0.0748 (19)	0.0574 (17)	0.114 (2)	−0.0376 (15)	0.0339 (18)	−0.0253 (16)
O2_13	0.087 (2)	0.0518 (15)	0.0625 (16)	−0.0082 (14)	0.0086 (14)	−0.0222 (13)
O3_13	0.0483 (16)	0.077 (2)	0.104 (2)	0.0003 (14)	0.0097 (15)	−0.0256 (17)
O4_13	0.109 (3)	0.113 (3)	0.091 (2)	−0.029 (2)	0.047 (2)	0.030 (2)
O5_13	0.0657 (19)	0.101 (2)	0.098 (2)	−0.0140 (17)	0.0410 (18)	−0.0178 (19)
O6_13	0.085 (2)	0.125 (3)	0.0654 (19)	−0.024 (2)	−0.0038 (17)	−0.035 (2)
O7_13	0.132 (3)	0.0340 (16)	0.164 (4)	−0.0034 (18)	0.022 (3)	−0.0297 (19)
C1_13	0.057 (2)	0.0412 (18)	0.073 (2)	−0.0153 (16)	0.0209 (18)	−0.0128 (16)
C2_13	0.055 (2)	0.0461 (18)	0.0469 (17)	−0.0035 (15)	0.0150 (15)	−0.0031 (15)
C3_13	0.052 (2)	0.050 (2)	0.069 (2)	−0.0139 (17)	0.0227 (18)	−0.0176 (17)
C4_13	0.067 (3)	0.064 (2)	0.075 (3)	−0.018 (2)	0.032 (2)	0.002 (2)
C5_13	0.058 (2)	0.055 (2)	0.065 (2)	−0.0100 (17)	0.0186 (18)	−0.0189 (18)
C6_13	0.065 (2)	0.067 (3)	0.063 (2)	−0.022 (2)	0.016 (2)	−0.029 (2)
C7_13	0.077 (3)	0.041 (2)	0.095 (3)	−0.0147 (19)	0.024 (2)	−0.027 (2)

Geometric parameters (Å, º) top

Ga1—O1_11	1.9172 (19)	C3_2—C4_2	1.483 (5)
Ga1—Cl2	2.1912 (11)	O1_3—C1_3	1.431 (4)
Ga1—Cl1	2.1958 (11)	O1_3—C4_3	1.448 (4)
Ga1—Fe1	2.3875 (6)	C1_3—C2_3	1.435 (6)
Ga1—Ga2	2.9476 (5)	C2_3—C3_3	1.415 (7)
Ga2—O1_11	2.0465 (19)	C3_3—C4_3	1.462 (6)
Ga2—Fe4	2.4202 (6)	O1_4—C4_4	1.414 (5)
Ga2—Fe2	2.4243 (5)	O1_4—C1_4	1.424 (5)
Ga2—Fe1	2.4912 (6)	C1_4—C2_4	1.473 (7)
Ga3—O2_11	2.014 (2)	C2_4—C3_4	1.405 (8)
Ga3—Fe2	2.4293 (6)	C3_4—C4_4	1.434 (7)
Ga3—Fe4	2.4301 (6)	O1_5—C1_5	1.416 (4)
Ga3—Fe3	2.4786 (6)	O1_5—C4_5	1.423 (4)
Ga3—Ga4	2.9736 (6)	C1_5—C2_5	1.466 (6)
Ga4—O2_11	1.941 (2)	C2_5—C3_5	1.457 (6)
Ga4—Cl3	2.1935 (11)	C3_5—C4_5	1.467 (5)
Ga4—Cl4	2.1952 (12)	O1_6—C4_6	1.384 (11)
Ga4—Fe3	2.4010 (6)	O1_6—C1_6	1.396 (12)
Fe1—C5_12	1.777 (5)	C1_6—C2_6	1.426 (12)
Fe1—C8_12	1.785 (4)	C2_6—C3_6	1.440 (14)
Fe1—C6_12	1.793 (4)	C3_6—C4_6	1.479 (14)
Fe1—C7_12	1.810 (4)	C1_7—C2_7	1.435 (12)
Fe2—C2_13	1.780 (4)	C2_7—C3_7	1.439 (13)
Fe2—C4_13	1.783 (4)	C3_7—C4_7	1.482 (13)
Fe2—C3_13	1.785 (4)	O1_8—C4_8	1.406 (5)
Fe2—C1_13	1.968 (3)	O1_8—C1_8	1.414 (5)
Fe2—Fe4	2.7027 (6)	C1_8—C2_8	1.453 (6)
Fe3—C4_12	1.782 (4)	C2_8—C3_8	1.424 (7)
Fe3—C1_12	1.783 (4)	C3_8—C4_8	1.453 (6)
Fe3—C3_12	1.796 (5)	O1_9—C1_9	1.396 (11)
Fe3—C2_12	1.800 (5)	O1_9—C4_9	1.420 (11)
Fe4—C5_13	1.772 (4)	C1_9—C2_9	1.433 (12)
Fe4—C7_13	1.779 (4)	C2_9—C3_9	1.434 (14)
Fe4—C6_13	1.787 (4)	C3_9—C4_9	1.441 (12)
Fe4—C1_13	1.997 (4)	O1_10—C1_10	1.393 (11)
Si1—O2_11	1.651 (2)	O1_10—C4_10	1.433 (11)
Si1—O1_11	1.661 (2)	C1_10—C2_10	1.437 (12)
Si1—C2	1.841 (4)	C2_10—C3_10	1.439 (13)
Si1—C1	1.849 (4)	C3_10—C4_10	1.434 (12)
Fe5—O52	2.073 (2)	O1_12—C1_12	1.146 (4)
Fe5—O51	2.084 (2)	O2_12—C2_12	1.130 (5)
Fe5—O1_2	2.136 (2)	O3_12—C3_12	1.140 (5)
Fe5—O1_3	2.137 (2)	O4_12—C4_12	1.148 (5)
Fe5—O1_4	2.148 (2)	O5_12—C5_12	1.146 (5)
Fe5—O1_1	2.152 (2)	O6_12—C6_12	1.139 (5)
O1_1—C4_1	1.417 (4)	O7_12—C7_12	1.126 (5)
O1_1—C1_1	1.433 (4)	O8_12—C8_12	1.138 (5)
C1_1—C2_1	1.437 (7)	O1_13—C1_13	1.170 (4)
C2_1—C3_1	1.426 (7)	O2_13—C2_13	1.150 (4)
C3_1—C4_1	1.465 (6)	O3_13—C3_13	1.143 (5)
O1_2—C4_2	1.428 (4)	O4_13—C4_13	1.143 (5)
O1_2—C1_2	1.449 (4)	O5_13—C5_13	1.148 (4)
C1_2—C2_2	1.468 (5)	O6_13—C6_13	1.143 (5)
C2_2—C3_2	1.490 (5)	O7_13—C7_13	1.138 (5)

O1_11—Ga1—Cl2	106.40 (7)	C5_13—Fe4—Fe2	127.73 (12)
O1_11—Ga1—Cl1	109.33 (7)	C7_13—Fe4—Fe2	117.73 (14)
Cl2—Ga1—Cl1	104.40 (6)	C6_13—Fe4—Fe2	110.59 (13)
O1_11—Ga1—Fe1	98.06 (6)	C1_13—Fe4—Fe2	46.57 (10)
Cl2—Ga1—Fe1	119.97 (4)	Ga2—Fe4—Fe2	56.162 (15)
Cl1—Ga1—Fe1	117.73 (4)	Ga3—Fe4—Fe2	56.193 (17)
O1_11—Ga1—Ga2	43.67 (6)	O2_11—Si1—O1_11	105.74 (11)
Cl2—Ga1—Ga2	127.30 (4)	O2_11—Si1—C2	110.04 (15)
Cl1—Ga1—Ga2	124.73 (4)	O1_11—Si1—C2	109.20 (15)
Fe1—Ga1—Ga2	54.454 (15)	O2_11—Si1—C1	109.79 (16)
O1_11—Ga2—Fe4	115.06 (6)	O1_11—Si1—C1	110.70 (15)
O1_11—Ga2—Fe2	114.81 (6)	C2—Si1—C1	111.2 (2)
Fe4—Ga2—Fe2	67.820 (18)	O52—Fe5—O51	178.40 (10)
O1_11—Ga2—Fe1	91.49 (6)	O52—Fe5—O1_2	86.37 (9)
Fe4—Ga2—Fe1	136.32 (2)	O51—Fe5—O1_2	93.77 (9)
Fe2—Ga2—Fe1	133.09 (2)	O52—Fe5—O1_3	94.26 (10)
O1_11—Ga2—Ga1	40.30 (5)	O51—Fe5—O1_3	87.33 (9)
Fe4—Ga2—Ga1	144.408 (19)	O1_2—Fe5—O1_3	87.01 (10)
Fe2—Ga2—Ga1	138.707 (18)	O52—Fe5—O1_4	91.07 (10)
Fe1—Ga2—Ga1	51.240 (14)	O51—Fe5—O1_4	88.83 (9)
O2_11—Ga3—Fe2	117.53 (6)	O1_2—Fe5—O1_4	177.20 (9)
O2_11—Ga3—Fe4	116.98 (6)	O1_3—Fe5—O1_4	92.06 (10)
Fe2—Ga3—Fe4	67.584 (19)	O52—Fe5—O1_1	89.11 (9)
O2_11—Ga3—Fe3	91.57 (6)	O51—Fe5—O1_1	89.29 (9)
Fe2—Ga3—Fe3	131.33 (2)	O1_2—Fe5—O1_1	92.29 (10)
Fe4—Ga3—Fe3	134.45 (2)	O1_3—Fe5—O1_1	176.50 (9)
O2_11—Ga3—Ga4	40.33 (6)	O1_4—Fe5—O1_1	88.79 (10)
Fe2—Ga3—Ga4	140.748 (19)	C4_1—O1_1—C1_1	107.6 (3)
Fe4—Ga3—Ga4	145.030 (19)	C4_1—O1_1—Fe5	127.0 (2)
Fe3—Ga3—Ga4	51.278 (16)	C1_1—O1_1—Fe5	124.9 (2)
O2_11—Ga4—Cl3	106.92 (7)	O1_1—C1_1—C2_1	106.1 (4)
O2_11—Ga4—Cl4	107.33 (7)	C3_1—C2_1—C1_1	109.5 (5)
Cl3—Ga4—Cl4	103.94 (5)	C2_1—C3_1—C4_1	102.8 (4)
O2_11—Ga4—Fe3	95.80 (6)	O1_1—C4_1—C3_1	108.3 (4)
Cl3—Ga4—Fe3	120.45 (4)	C4_2—O1_2—C1_2	108.1 (3)
Cl4—Ga4—Fe3	120.70 (4)	C4_2—O1_2—Fe5	126.7 (2)
O2_11—Ga4—Ga3	42.18 (6)	C1_2—O1_2—Fe5	125.2 (2)
Cl3—Ga4—Ga3	123.88 (4)	O1_2—C1_2—C2_2	107.1 (3)
Cl4—Ga4—Ga3	127.23 (4)	C1_2—C2_2—C3_2	105.3 (3)
Fe3—Ga4—Ga3	53.649 (17)	C4_2—C3_2—C2_2	102.9 (3)
C5_12—Fe1—C8_12	156.19 (17)	O1_2—C4_2—C3_2	106.1 (3)
C5_12—Fe1—C6_12	101.2 (2)	C1_3—O1_3—C4_3	108.5 (3)
C8_12—Fe1—C6_12	96.6 (2)	C1_3—O1_3—Fe5	127.3 (2)
C5_12—Fe1—C7_12	95.0 (2)	C4_3—O1_3—Fe5	123.6 (2)
C8_12—Fe1—C7_12	96.18 (18)	O1_3—C1_3—C2_3	107.4 (4)
C6_12—Fe1—C7_12	102.99 (19)	C3_3—C2_3—C1_3	109.7 (4)
C5_12—Fe1—Ga1	82.98 (13)	C2_3—C3_3—C4_3	107.4 (4)
C8_12—Fe1—Ga1	83.20 (11)	O1_3—C4_3—C3_3	107.0 (4)
C6_12—Fe1—Ga1	84.40 (13)	C4_4—O1_4—C1_4	106.3 (3)
C7_12—Fe1—Ga1	172.60 (14)	C4_4—O1_4—Fe5	125.6 (3)
C5_12—Fe1—Ga2	78.62 (13)	C1_4—O1_4—Fe5	127.6 (2)
C8_12—Fe1—Ga2	79.02 (12)	O1_4—C1_4—C2_4	104.6 (4)
C6_12—Fe1—Ga2	158.59 (13)	C3_4—C2_4—C1_4	107.4 (5)
C7_12—Fe1—Ga2	98.32 (14)	C2_4—C3_4—C4_4	101.3 (5)
Ga1—Fe1—Ga2	74.306 (17)	O1_4—C4_4—C3_4	109.3 (4)
C2_13—Fe2—C4_13	95.51 (18)	C1_5—O1_5—C4_5	107.9 (3)
C2_13—Fe2—C3_13	100.75 (16)	O1_5—C1_5—C2_5	107.6 (3)
C4_13—Fe2—C3_13	102.41 (19)	C3_5—C2_5—C1_5	106.9 (4)
C2_13—Fe2—C1_13	170.91 (16)	C2_5—C3_5—C4_5	104.4 (4)
C4_13—Fe2—C1_13	87.43 (18)	O1_5—C4_5—C3_5	106.9 (3)
C3_13—Fe2—C1_13	86.97 (17)	C4_6—O1_6—C1_6	107.4 (10)
C2_13—Fe2—Ga2	81.69 (11)	O1_6—C1_6—C2_6	106.9 (11)
C4_13—Fe2—Ga2	170.19 (15)	C1_6—C2_6—C3_6	104.4 (12)
C3_13—Fe2—Ga2	87.37 (12)	C2_6—C3_6—C4_6	99.6 (13)
C1_13—Fe2—Ga2	93.97 (11)	O1_6—C4_6—C3_6	106.3 (10)
C2_13—Fe2—Ga3	84.93 (12)	C1_7—C2_7—C3_7	106.0 (9)
C4_13—Fe2—Ga3	89.98 (15)	C2_7—C3_7—C4_7	98.8 (12)
C3_13—Fe2—Ga3	165.70 (12)	C4_8—O1_8—C1_8	108.2 (3)
C1_13—Fe2—Ga3	86.47 (12)	O1_8—C1_8—C2_8	107.3 (4)
Ga2—Fe2—Ga3	80.432 (17)	C3_8—C2_8—C1_8	105.6 (4)
C2_13—Fe2—Fe4	124.29 (11)	C2_8—C3_8—C4_8	108.1 (4)
C4_13—Fe2—Fe4	119.81 (14)	O1_8—C4_8—C3_8	107.2 (4)
C3_13—Fe2—Fe4	110.52 (12)	C1_9—O1_9—C4_9	110.5 (8)
C1_13—Fe2—Fe4	47.47 (10)	O1_9—C1_9—C2_9	104.1 (10)
Ga2—Fe2—Fe4	56.018 (16)	C1_9—C2_9—C3_9	107.6 (10)
Ga3—Fe2—Fe4	56.223 (17)	C2_9—C3_9—C4_9	106.1 (10)
C4_12—Fe3—C1_12	154.46 (16)	O1_9—C4_9—C3_9	105.8 (9)
C4_12—Fe3—C3_12	97.93 (19)	C1_10—O1_10—C4_10	108.3 (9)
C1_12—Fe3—C3_12	96.20 (19)	O1_10—C1_10—C2_10	107.3 (9)
C4_12—Fe3—C2_12	98.2 (2)	C1_10—C2_10—C3_10	107.2 (11)
C1_12—Fe3—C2_12	99.2 (2)	C4_10—C3_10—C2_10	104.3 (12)
C3_12—Fe3—C2_12	102.9 (2)	O1_10—C4_10—C3_10	107.3 (11)
C4_12—Fe3—Ga4	80.49 (13)	Si1—O1_11—Ga1	129.22 (11)
C1_12—Fe3—Ga4	80.83 (12)	Si1—O1_11—Ga2	134.72 (11)
C3_12—Fe3—Ga4	166.53 (14)	Ga1—O1_11—Ga2	96.03 (8)
C2_12—Fe3—Ga4	90.51 (14)	Si1—O2_11—Ga4	129.74 (12)
C4_12—Fe3—Ga3	79.55 (13)	Si1—O2_11—Ga3	132.76 (12)
C1_12—Fe3—Ga3	78.92 (12)	Ga4—O2_11—Ga3	97.49 (8)
C3_12—Fe3—Ga3	91.47 (14)	O1_12—C1_12—Fe3	178.8 (3)
C2_12—Fe3—Ga3	165.58 (14)	O2_12—C2_12—Fe3	177.6 (4)
Ga4—Fe3—Ga3	75.072 (17)	O3_12—C3_12—Fe3	178.6 (5)
C5_13—Fe4—C7_13	95.13 (19)	O4_12—C4_12—Fe3	178.9 (3)
C5_13—Fe4—C6_13	97.47 (19)	O5_12—C5_12—Fe1	178.4 (4)
C7_13—Fe4—C6_13	104.4 (2)	O6_12—C6_12—Fe1	176.3 (4)
C5_13—Fe4—C1_13	173.98 (16)	O7_12—C7_12—Fe1	179.3 (5)
C7_13—Fe4—C1_13	87.27 (18)	O8_12—C8_12—Fe1	177.5 (3)
C6_13—Fe4—C1_13	87.25 (17)	O1_13—C1_13—Fe2	138.1 (3)
C5_13—Fe4—Ga2	83.14 (13)	O1_13—C1_13—Fe4	135.9 (3)
C7_13—Fe4—Ga2	167.91 (15)	Fe2—C1_13—Fe4	85.96 (13)
C6_13—Fe4—Ga2	87.65 (14)	O2_13—C2_13—Fe2	175.5 (3)
C1_13—Fe4—Ga2	93.36 (10)	O3_13—C3_13—Fe2	179.0 (4)
C5_13—Fe4—Ga3	88.77 (13)	O4_13—C4_13—Fe2	177.5 (4)
C7_13—Fe4—Ga3	87.52 (15)	O5_13—C5_13—Fe4	173.2 (3)
C6_13—Fe4—Ga3	165.87 (14)	O6_13—C6_13—Fe4	179.0 (4)
C1_13—Fe4—Ga3	85.82 (12)	O7_13—C7_13—Fe4	176.9 (5)
Ga2—Fe4—Ga3	80.497 (17)

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O51—H51A···O1_5	0.96 (2)	1.72 (2)	2.677 (3)	175 (2)
O51—H51B···O1_7	0.96 (2)	1.71 (2)	2.623 (11)	159 (2)
O51—H51B···O1_6	0.96 (2)	1.71 (2)	2.671 (15)	179 (3)
O52—H52A···O1_8	0.96 (2)	1.71 (2)	2.653 (4)	170 (3)
O52—H52B···O1_10	0.96 (2)	1.71 (2)	2.665 (12)	175 (3)
O52—H52B···O1_9	0.96 (2)	1.71 (3)	2.647 (16)	167 (3)

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trans-Di­aqua­tetra­kis­(tetra­hydro­furan-κO)iron(II) μ-carbonyl-tetra­deca­carbonyl­tetra­chlorido-μ-di­methyl­silanediolato-tetra­galliumtetra­iron(7 Ga–Fe)(Fe–Fe) tetra­hydro­furan tetrasolvate

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trans-Diaquatetrakis(tetrahydrofuran-κO)iron(II) μ-carbonyl-tetradecacarbonyltetrachlorido-μ-dimethylsilanediolato-tetragalliumtetrairon(7 Ga–Fe)(Fe–Fe) tetrahydrofuran tetrasolvate