Hexakis(μ(2)-2-amino-ethanethiol-ato)-triiron(III) tris(perchlorate).

In the title salt, [Fe(3)(C(2)H(6)NS)(6)](ClO(4))(3), the trinuclear cation lies on a special position of site symmetry; the central Fe atom is coordinated by six thiol-ate groups from the two flanking fac-(S)-[Fe(C(2)H(6)NS)(3)] units. In the flanking units, the three C(2)H(6)NS groups each chelate to the metal atom. The cations inter-act with the perchlorate anions through weak N-H⋯O hydrogen bonds resulting in a three-dimensional network. In the asymmetric unit two cations are present, one of which is disordered over two positions with occupancies of 0.75 and 0.25.

Related literature

For related structures, see: Busch & Jicha (1962 ▶); Heeg et al. (1985 ▶); Mahboob et al. (2004 ▶); Marsh et al. (1986 ▶); Matsuura et al. (2006 ▶).

Experimental

Crystal data

[Fe3(C2H6NS)6](ClO4)3

M = 922.73

Trigonal,

a = 14.2852 (6) Å

c = 26.2187 (8) Å

V = 4633.6 (2) Å3

Z = 6

Mo Kα radiation

μ = 2.12 mm−1

T = 200 (2) K

0.20 × 0.20 × 0.10 mm

Data collection

Rigaku R-AXIS RAPID diffractometer

Absorption correction: multi-scan (ABSCOR; Higashi, 1995 ▶) T min = 0.677, T max = 0.816

15327 measured reflections

2365 independent reflections

2144 reflections with I > 2σ(I)

R int = 0.053

Refinement

R[F 2 > 2σ(F 2)] = 0.032

wR(F 2) = 0.100

S = 1.39

2365 reflections

165 parameters

6 restraints

H-atom parameters constrained

Δρmax = 1.09 e Å−3

Δρmin = −0.31 e Å−3

Data collection:PROCESS-AUTO (Rigaku, 1998 ▶); cell refinement: PROCESS-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2004 ▶); program(s) used to solve structure: SIR97 (Altomare et al., 1999 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997 ▶); software used to prepare material for publication: Yadokari-XG (Wakita, 2000 ▶).

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536808036167/ng2504sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808036167/ng2504Isup2.hkl

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

[Fe3(C2H6NS)6](ClO4)3	Z = 6
Mr = 922.73	F000 = 2826
Trigonal, R3	Dx = 1.984 Mg m−3
Hall symbol: -R 3	Mo Kα radiation λ = 0.71075 Å
a = 14.2852 (6) Å	Cell parameters from 12827 reflections
b = 14.2852 Å	θ = 3.4–27.4º
c = 26.2187 (8) Å	µ = 2.12 mm−1
α = 90º	T = 200 (2) K
β = 90º	Prism, black
γ = 120º	0.20 × 0.20 × 0.10 mm
V = 4633.6 (2) Å3

Rigaku R-AXIS RAPID diffractometer	2365 independent reflections
Radiation source: fine-focus sealed tube	2144 reflections with I > 2σ(I)
Monochromator: graphite	Rint = 0.053
Detector resolution: 10.00 pixels mm-1	θmax = 27.4º
T = 200(2) K	θmin = 3.4º
ω scans	h = −18→16
Absorption correction: multi-scan(ABSCOR; Higashi, 1995)	k = −18→17
Tmin = 0.677, Tmax = 0.816	l = −33→33
15327 measured reflections

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)] = 0.032	H-atom parameters constrained
wR(F2) = 0.100	w = 1/[σ2(Fo2) + (0.0456P)2 + 3.0528P] where P = (Fo2 + 2Fc2)/3
S = 1.39	(Δ/σ)max = 0.001
2365 reflections	Δρmax = 1.09 e Å−3
165 parameters	Δρmin = −0.31 e Å−3
6 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. The 2-aminoethanethiolate ligand of one unit containing Fe3 and Fe4 atoms is disordered over two positions with the occupancies of 0.75 and 0.25. The C3B atom in the minor component is restrained based on ISOR.

	x	y	z	Uiso*/Ueq	Occ. (<1)
Fe1	0.3333	0.6667	0.1667	0.01712 (18)
Fe2	0.3333	0.6667	0.269870 (17)	0.01673 (15)
S1	0.21510 (4)	0.53292 (4)	0.219319 (19)	0.02149 (15)
N1	0.20358 (15)	0.64420 (15)	0.31253 (7)	0.0255 (4)
H1	0.2151	0.6336	0.3460	0.031*
H2	0.1986	0.7059	0.3110	0.031*
C1	0.09906 (18)	0.5506 (2)	0.29524 (9)	0.0308 (5)
H3	0.0382	0.5595	0.3071	0.037*
H4	0.0903	0.4828	0.3100	0.037*
C2	0.09795 (17)	0.5441 (2)	0.23732 (9)	0.0302 (5)
H5	0.1026	0.6098	0.2222	0.036*
H6	0.0306	0.4802	0.2253	0.036*
Fe3	0.3333	0.6667	0.6667	0.02171 (19)
Fe4	0.3333	0.6667	0.563330 (19)	0.02155 (16)
S2	0.20595 (6)	0.53902 (6)	0.61393 (3)	0.02341 (18)	0.75
N2	0.2103 (3)	0.6563 (3)	0.52058 (14)	0.0300 (8)	0.75
H7	0.2163	0.7234	0.5193	0.036*	0.75
H8	0.2176	0.6377	0.4878	0.036*	0.75
C3	0.0975 (3)	0.5650 (4)	0.59679 (17)	0.0394 (9)	0.75
H9	0.0267	0.5041	0.6076	0.047*	0.75
H10	0.1083	0.6319	0.6135	0.047*	0.75
C4	0.1011 (4)	0.5773 (4)	0.5393 (2)	0.0425 (11)	0.75
H11	0.0776	0.5062	0.5233	0.051*	0.75
H12	0.0496	0.6011	0.5289	0.051*	0.75
S2B	0.2622 (3)	0.7412 (2)	0.61334 (10)	0.0335 (5)	0.25
N2B	0.1951 (9)	0.6067 (9)	0.5199 (5)	0.035 (3)	0.25
H13	0.2127	0.6372	0.4879	0.041*	0.25
H14	0.1655	0.5332	0.5163	0.041*	0.25
C3B	0.1180 (11)	0.6301 (17)	0.5950 (6)	0.065 (4)	0.25
H15	0.1036	0.5589	0.6078	0.078*	0.25
H16	0.0638	0.6462	0.6098	0.078*	0.25
C4B	0.1130 (14)	0.6295 (15)	0.5432 (8)	0.060 (5)	0.25
H17	0.1257	0.7006	0.5311	0.072*	0.25
H18	0.0399	0.5737	0.5321	0.072*	0.25
Cl1	0.17461 (5)	0.41937 (4)	0.42062 (2)	0.03377 (17)
O1	0.12758 (17)	0.38390 (16)	0.47031 (7)	0.0460 (5)
O2	0.20389 (18)	0.53133 (14)	0.41480 (8)	0.0492 (5)
O3	0.0981 (2)	0.35574 (17)	0.38241 (8)	0.0604 (6)
O4	0.26978 (18)	0.41114 (19)	0.41632 (9)	0.0583 (6)

	U11	U22	U33	U12	U13	U23
Fe1	0.0171 (2)	0.0171 (2)	0.0173 (4)	0.00853 (12)	0.000	0.000
Fe2	0.01850 (19)	0.01850 (19)	0.0132 (3)	0.00925 (9)	0.000	0.000
S1	0.0233 (3)	0.0207 (3)	0.0166 (3)	0.0081 (2)	−0.00003 (18)	0.00068 (17)
N1	0.0293 (10)	0.0302 (10)	0.0174 (9)	0.0151 (8)	0.0022 (7)	0.0004 (7)
C1	0.0224 (11)	0.0387 (13)	0.0235 (12)	0.0094 (10)	0.0051 (8)	0.0034 (9)
C2	0.0180 (10)	0.0410 (13)	0.0235 (11)	0.0088 (10)	0.0020 (8)	0.0009 (9)
Fe3	0.0190 (2)	0.0190 (2)	0.0272 (4)	0.00950 (12)	0.000	0.000
Fe4	0.0229 (2)	0.0229 (2)	0.0189 (3)	0.01145 (10)	0.000	0.000
S2	0.0220 (4)	0.0236 (4)	0.0205 (4)	0.0082 (3)	−0.0005 (3)	−0.0008 (3)
N2	0.0387 (19)	0.033 (2)	0.0200 (15)	0.0197 (19)	−0.0061 (12)	−0.0045 (16)
C3	0.0233 (18)	0.052 (2)	0.040 (2)	0.0165 (19)	−0.0008 (14)	0.001 (2)
C4	0.031 (2)	0.060 (3)	0.036 (2)	0.023 (3)	−0.0093 (15)	−0.007 (2)
S2B	0.0387 (15)	0.0385 (14)	0.0369 (14)	0.0294 (14)	−0.0028 (11)	0.0001 (11)
N2B	0.034 (5)	0.030 (6)	0.037 (5)	0.014 (6)	−0.011 (4)	−0.014 (5)
C3B	0.026 (6)	0.124 (13)	0.053 (8)	0.043 (9)	−0.010 (5)	−0.014 (10)
C4B	0.033 (7)	0.066 (12)	0.082 (12)	0.026 (9)	−0.018 (7)	−0.014 (11)
Cl1	0.0459 (4)	0.0229 (3)	0.0229 (3)	0.0100 (2)	−0.0001 (2)	0.00124 (19)
O1	0.0606 (13)	0.0428 (11)	0.0322 (10)	0.0239 (10)	0.0109 (9)	0.0091 (8)
O2	0.0767 (15)	0.0243 (9)	0.0382 (12)	0.0188 (9)	−0.0039 (10)	0.0027 (7)
O3	0.0780 (16)	0.0390 (11)	0.0502 (13)	0.0188 (11)	−0.0270 (11)	−0.0113 (9)
O4	0.0501 (12)	0.0571 (13)	0.0655 (15)	0.0252 (11)	0.0103 (10)	0.0076 (11)

Fe1—S1i	2.2763 (5)	Fe4—N2iii	2.026 (4)
Fe1—S1ii	2.2763 (5)	Fe4—N2iv	2.026 (4)
Fe1—S1iii	2.2764 (5)	Fe4—N2B	2.059 (11)
Fe1—S1	2.2764 (5)	Fe4—N2Biii	2.059 (11)
Fe1—S1iv	2.2764 (5)	Fe4—N2Biv	2.059 (11)
Fe1—S1v	2.2764 (5)	Fe4—S2B	2.229 (2)
Fe2—N1	2.0482 (18)	Fe4—S2Biii	2.229 (2)
Fe2—N1iii	2.0482 (18)	Fe4—S2Biv	2.229 (2)
Fe2—N1iv	2.0482 (18)	Fe4—S2iii	2.2535 (7)
Fe2—S1iii	2.2434 (6)	Fe4—S2	2.2535 (8)
Fe2—S1	2.2434 (6)	Fe4—S2iv	2.2535 (7)
Fe2—S1iv	2.2434 (6)	S2—C3	1.821 (4)
S1—C2	1.821 (2)	N2—C4	1.480 (7)
N1—C1	1.492 (3)	N2—H7	0.9200
N1—H1	0.9200	N2—H8	0.9200
N1—H2	0.9200	C3—C4	1.514 (7)
C1—C2	1.521 (3)	C3—H9	0.9900
C1—H3	0.9900	C3—H10	0.9900
C1—H4	0.9900	C4—H11	0.9900
C2—H5	0.9900	C4—H12	0.9900
C2—H6	0.9900	S2B—C3B	1.929 (16)
Fe3—S2Bvi	2.281 (2)	N2B—C4B	1.49 (2)
Fe3—S2B	2.281 (2)	N2B—H13	0.9200
Fe3—S2Biv	2.281 (2)	N2B—H14	0.9200
Fe3—S2Biii	2.281 (2)	C3B—C4B	1.36 (3)
Fe3—S2Bvii	2.281 (2)	C3B—H15	0.9900
Fe3—S2Bviii	2.281 (2)	C3B—H16	0.9900
Fe3—S2viii	2.2869 (7)	C4B—H17	0.9900
Fe3—S2iii	2.2869 (7)	C4B—H18	0.9900
Fe3—S2	2.2869 (7)	Cl1—O3	1.425 (2)
Fe3—S2iv	2.2869 (7)	Cl1—O4	1.426 (2)
Fe3—S2vi	2.2870 (7)	Cl1—O1	1.4369 (18)
Fe3—S2vii	2.2870 (7)	Cl1—O2	1.4447 (18)
Fe4—N2	2.026 (4)
S1i—Fe1—S1ii	87.042 (18)	N2—Fe4—N2iii	92.34 (15)
S1i—Fe1—S1iii	180.00 (3)	N2—Fe4—N2iv	92.34 (15)
S1ii—Fe1—S1iii	92.959 (18)	N2iii—Fe4—N2iv	92.34 (15)
S1i—Fe1—S1	92.960 (18)	N2B—Fe4—N2Biii	92.4 (5)
S1ii—Fe1—S1	180.0	N2—Fe4—N2Biv	103.6 (3)
S1iii—Fe1—S1	87.039 (18)	N2iii—Fe4—N2Biv	78.4 (3)
S1i—Fe1—S1iv	92.961 (18)	N2iv—Fe4—N2Biv	17.7 (3)
S1ii—Fe1—S1iv	92.961 (18)	N2B—Fe4—N2Biv	92.4 (5)
S1iii—Fe1—S1iv	87.039 (18)	N2Biii—Fe4—N2Biv	92.4 (5)
S1—Fe1—S1iv	87.039 (18)	N2B—Fe4—S2B	87.3 (3)
S1i—Fe1—S1v	87.041 (18)	N2Biii—Fe4—S2B	91.5 (4)
S1ii—Fe1—S1v	87.040 (18)	N2Biv—Fe4—S2B	176.1 (3)
S1iii—Fe1—S1v	92.959 (18)	N2B—Fe4—S2Biii	176.1 (3)
S1—Fe1—S1v	92.960 (18)	N2Biii—Fe4—S2Biii	87.3 (3)
S1iv—Fe1—S1v	180.0	N2Biv—Fe4—S2Biii	91.5 (4)
N1—Fe2—N1iii	93.02 (7)	S2B—Fe4—S2Biii	88.91 (9)
N1—Fe2—N1iv	93.02 (7)	N2B—Fe4—S2Biv	91.5 (4)
N1iii—Fe2—N1iv	93.02 (7)	N2Biii—Fe4—S2Biv	176.1 (3)
N1—Fe2—S1iii	91.05 (5)	N2Biv—Fe4—S2Biv	87.3 (3)
N1iii—Fe2—S1iii	87.26 (5)	S2B—Fe4—S2Biv	88.91 (9)
N1iv—Fe2—S1iii	175.90 (5)	S2Biii—Fe4—S2Biv	88.91 (9)
N1—Fe2—S1	87.26 (5)	N2—Fe4—S2iii	91.91 (11)
N1iii—Fe2—S1	175.90 (5)	N2iii—Fe4—S2iii	86.94 (11)
N1iv—Fe2—S1	91.05 (5)	N2iv—Fe4—S2iii	175.71 (11)
S1iii—Fe2—S1	88.65 (2)	N2—Fe4—S2	86.94 (11)
N1—Fe2—S1iv	175.90 (5)	N2iii—Fe4—S2	175.71 (11)
N1iii—Fe2—S1iv	91.05 (5)	N2iv—Fe4—S2	91.91 (11)
N1iv—Fe2—S1iv	87.26 (5)	S2iii—Fe4—S2	88.86 (3)
S1iii—Fe2—S1iv	88.65 (2)	N2—Fe4—S2iv	175.71 (11)
S1—Fe2—S1iv	88.65 (2)	N2iii—Fe4—S2iv	91.91 (11)
C2—S1—Fe2	96.07 (8)	N2iv—Fe4—S2iv	86.94 (11)
C2—S1—Fe1	114.36 (8)	S2iii—Fe4—S2iv	88.86 (3)
Fe2—S1—Fe1	73.546 (18)	S2—Fe4—S2iv	88.86 (3)
C1—N1—Fe2	113.33 (14)	C3—S2—Fe4	96.60 (14)
C1—N1—H1	108.9	C3—S2—Fe3	113.93 (15)
Fe2—N1—H1	108.9	Fe4—S2—Fe3	73.27 (2)
C1—N1—H2	108.9	C4—N2—Fe4	114.7 (3)
Fe2—N1—H2	108.9	C4—N2—H7	108.6
H1—N1—H2	107.7	Fe4—N2—H7	108.6
N1—C1—C2	109.46 (17)	C4—N2—H8	108.6
N1—C1—H3	109.8	Fe4—N2—H8	108.6
C2—C1—H3	109.8	H7—N2—H8	107.6
N1—C1—H4	109.8	C4—C3—S2	106.6 (3)
C2—C1—H4	109.8	C4—C3—H9	110.4
H3—C1—H4	108.2	S2—C3—H9	110.4
C1—C2—S1	106.38 (15)	C4—C3—H10	110.4
C1—C2—H5	110.5	S2—C3—H10	110.4
S1—C2—H5	110.5	H9—C3—H10	108.6
C1—C2—H6	110.5	N2—C4—C3	112.4 (4)
S1—C2—H6	110.5	N2—C4—H11	109.1
H5—C2—H6	108.6	C3—C4—H11	109.1
S2Bvi—Fe3—S2B	179.998 (1)	N2—C4—H12	109.1
S2Bvi—Fe3—S2Biv	93.64 (9)	C3—C4—H12	109.1
S2B—Fe3—S2Biv	86.37 (9)	H11—C4—H12	107.9
S2Bvi—Fe3—S2Biii	93.64 (9)	C3B—S2B—Fe4	90.9 (5)
S2B—Fe3—S2Biii	86.37 (9)	C3B—S2B—Fe3	108.1 (6)
S2Biv—Fe3—S2Biii	86.37 (9)	Fe4—S2B—Fe3	73.83 (7)
S2Bvi—Fe3—S2Bvii	86.36 (9)	C4B—N2B—Fe4	112.1 (9)
S2B—Fe3—S2Bvii	93.63 (9)	C4B—N2B—H13	109.2
S2Biv—Fe3—S2Bvii	180.00 (10)	Fe4—N2B—H13	109.2
S2Biii—Fe3—S2Bvii	93.64 (9)	C4B—N2B—H14	109.2
S2Bvi—Fe3—S2Bviii	86.36 (9)	Fe4—N2B—H14	109.2
S2B—Fe3—S2Bviii	93.63 (9)	H13—N2B—H14	107.9
S2Biv—Fe3—S2Bviii	93.64 (9)	C4B—C3B—S2B	106.6 (13)
S2Biii—Fe3—S2Bviii	179.998 (1)	C4B—C3B—H15	110.4
S2Bvii—Fe3—S2Bviii	86.36 (9)	S2B—C3B—H15	110.4
S2viii—Fe3—S2iii	180.00 (5)	C4B—C3B—H16	110.4
S2viii—Fe3—S2	92.77 (3)	S2B—C3B—H16	110.4
S2iii—Fe3—S2	87.23 (3)	H15—C3B—H16	108.6
S2viii—Fe3—S2iv	92.77 (3)	C3B—C4B—N2B	111.5 (14)
S2iii—Fe3—S2iv	87.23 (3)	C3B—C4B—H17	109.3
S2—Fe3—S2iv	87.23 (3)	N2B—C4B—H17	109.3
S2viii—Fe3—S2vi	87.23 (3)	C3B—C4B—H18	109.3
S2iii—Fe3—S2vi	92.77 (3)	N2B—C4B—H18	109.3
S2—Fe3—S2vi	180.0	H17—C4B—H18	108.0
S2iv—Fe3—S2vi	92.77 (3)	O3—Cl1—O4	110.49 (15)
S2viii—Fe3—S2vii	87.23 (3)	O3—Cl1—O1	109.78 (14)
S2iii—Fe3—S2vii	92.77 (3)	O4—Cl1—O1	109.85 (13)
S2—Fe3—S2vii	92.77 (3)	O3—Cl1—O2	109.71 (13)
S2iv—Fe3—S2vii	179.999 (1)	O4—Cl1—O2	108.82 (14)
S2vi—Fe3—S2vii	87.23 (3)	O1—Cl1—O2	108.16 (12)
N1—Fe2—S1—C2	21.81 (10)	S2viii—Fe3—S2—Fe4	−136.322 (12)
N1iv—Fe2—S1—C2	114.79 (9)	S2iii—Fe3—S2—Fe4	43.680 (12)
S1iii—Fe2—S1—C2	−69.30 (8)	S2iv—Fe3—S2—Fe4	−43.680 (12)
S1iv—Fe2—S1—C2	−157.98 (8)	S2vii—Fe3—S2—Fe4	136.320 (12)
N1—Fe2—S1—Fe1	135.45 (5)	N2iii—Fe4—N2—C4	−175.7 (3)
N1iv—Fe2—S1—Fe1	−131.57 (5)	N2iv—Fe4—N2—C4	91.9 (4)
S1iii—Fe2—S1—Fe1	44.341 (11)	S2iii—Fe4—N2—C4	−88.6 (3)
S1iv—Fe2—S1—Fe1	−44.341 (11)	S2—Fe4—N2—C4	0.1 (3)
S1i—Fe1—S1—C2	−134.32 (9)	Fe4—S2—C3—C4	44.5 (3)
S1iii—Fe1—S1—C2	45.68 (9)	Fe3—S2—C3—C4	119.0 (3)
S1iv—Fe1—S1—C2	132.87 (8)	Fe4—N2—C4—C3	30.6 (5)
S1v—Fe1—S1—C2	−47.13 (8)	S2—C3—C4—N2	−51.4 (5)
S1i—Fe1—S1—Fe2	136.408 (8)	N2B—Fe4—S2B—C3B	27.4 (7)
S1iii—Fe1—S1—Fe2	−43.592 (8)	N2Biii—Fe4—S2B—C3B	119.7 (7)
S1iv—Fe1—S1—Fe2	43.592 (8)	S2Biii—Fe4—S2B—C3B	−153.1 (6)
S1v—Fe1—S1—Fe2	−136.406 (8)	S2Biv—Fe4—S2B—C3B	−64.1 (6)
N1iii—Fe2—N1—C1	−179.13 (15)	N2B—Fe4—S2B—Fe3	136.0 (4)
N1iv—Fe2—N1—C1	−85.94 (19)	N2Biii—Fe4—S2B—Fe3	−131.7 (3)
S1iii—Fe2—N1—C1	93.56 (15)	S2Biii—Fe4—S2B—Fe3	−44.47 (4)
S1—Fe2—N1—C1	4.96 (15)	S2Biv—Fe4—S2B—Fe3	44.47 (4)
Fe2—N1—C1—C2	−37.5 (2)	S2Biv—Fe3—S2B—C3B	42.2 (5)
N1—C1—C2—S1	57.4 (2)	S2Biii—Fe3—S2B—C3B	128.8 (5)
Fe2—S1—C2—C1	−46.89 (16)	S2Bvii—Fe3—S2B—C3B	−137.8 (5)
Fe1—S1—C2—C1	−121.55 (14)	S2Bviii—Fe3—S2B—C3B	−51.2 (5)
N2—Fe4—S2—C3	−23.37 (18)	S2Biv—Fe3—S2B—Fe4	−43.29 (4)
N2iv—Fe4—S2—C3	−115.61 (18)	S2Biii—Fe3—S2B—Fe4	43.29 (4)
S2iii—Fe4—S2—C3	68.61 (15)	S2Bvii—Fe3—S2B—Fe4	136.71 (4)
S2iv—Fe4—S2—C3	157.50 (15)	S2Bviii—Fe3—S2B—Fe4	−136.71 (4)
N2—Fe4—S2—Fe3	−136.42 (10)	N2Biii—Fe4—N2B—C4B	−96.9 (14)
N2iv—Fe4—S2—Fe3	131.34 (11)	N2Biv—Fe4—N2B—C4B	170.6 (12)
S2iii—Fe4—S2—Fe3	−44.441 (14)	S2B—Fe4—N2B—C4B	−5.5 (11)
S2iv—Fe4—S2—Fe3	44.441 (14)	S2Biv—Fe4—N2B—C4B	83.3 (11)
S2viii—Fe3—S2—C3	133.80 (16)	Fe4—S2B—C3B—C4B	−54.2 (13)
S2iii—Fe3—S2—C3	−46.20 (16)	Fe3—S2B—C3B—C4B	−127.5 (12)
S2iv—Fe3—S2—C3	−133.55 (16)	S2B—C3B—C4B—N2B	59.4 (18)
S2vii—Fe3—S2—C3	46.45 (16)	Fe4—N2B—C4B—C3B	−32.3 (19)

D—H···A	D—H	H···A	D···A	D—H···A
N1—H1···O2	0.92	2.28	3.130 (3)	154
N1—H2···O3ix	0.92	2.40	3.162 (3)	140
N2—H7···O1iii	0.92	2.30	3.110 (4)	147
N2—H8···O2	0.92	2.39	3.274 (4)	161
N2B—H13···O2	0.92	2.41	2.984 (12)	121
N2B—H14···O1	0.92	2.27	3.112 (11)	152

Table 1

Selected bond lengths (Å)

Fe1—S1	2.2764 (5)
Fe2—N1	2.0482 (18)
Fe2—S1	2.2434 (6)
Fe3—S2B	2.281 (2)
Fe3—S2	2.2869 (7)
Fe4—N2	2.026 (4)
Fe4—N2B	2.059 (11)
Fe4—S2B	2.229 (2)
Fe4—S2	2.2535 (8)

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N1—H1⋯O2	0.92	2.28	3.130 (3)	154
N1—H2⋯O3iii	0.92	2.40	3.162 (3)	140
N2—H7⋯O1ii	0.92	2.30	3.110 (4)	147
N2—H8⋯O2	0.92	2.39	3.274 (4)	161
N2B—H13⋯O2	0.92	2.41	2.984 (12)	121
N2B—H14⋯O1	0.92	2.27	3.112 (11)	152

Symmetry codes: (ii) ; (iii) .