Bis­(ferrocenyl methyl ketone thio­semicarbazone-κ²N,S)­zinc tetra­hydro­furan hemisolvate

The title complex, [ZnFe₂(C₅H₅)₂(C₈H₉N₃S)₂]·0.5C₄H₈O, is a Schiff base chelate. It consists of one zinc cation and two ligand anions, the cation being tetrahedrally coordinated by one N atom and one S atom from each ligands, thus forming two orthogonal five-membered chelate rings related to each other by the twofold rotation axis passing through Zn.

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean [sigma](C-C) = 0.015 Å
• R factor = 0.057
• wR factor = 0.194
• Data-to-parameter ratio = 14.7

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT415_ALERT_2_B Short Inter D-H..H-X       H1     ..  H12A     =       1.91 Ang.
PLAT415_ALERT_2_B Short Inter D-H..H-X       H1     ..  H12F     =       2.08 Ang.

Alert level C
RINTA01_ALERT_3_C  The value of Rint is greater than 0.10
            Rint given   0.133
PLAT020_ALERT_3_C The value of Rint is greater than 0.10 .........       0.13
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       0.50 Ratio
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.98
PLAT076_ALERT_1_C Occupancy       0.50 less than 1.0 for Sp.pos  .         O1
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       3.03
PLAT127_ALERT_1_C Implicit Hall Symbol Inconsistent with Expl ....       R-3c
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....         C3
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        Fe1
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C15
PLAT301_ALERT_3_C Main Residue  Disorder .........................       6.00 Perc.
PLAT309_ALERT_2_C Single Bonded Oxygen (C-O .GT. 1.3 Ang) ........         O1
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         15
PLAT420_ALERT_2_C D-H Without Acceptor       N3     -   H2     ...          ?
PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of .      51.00 A   3  

   0 ALERT level A = In general: serious problem
   2 ALERT level B = Potentially serious problem
  17 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

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

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Computing details

Data collection: SMART (Bruker, 1997); cell refinement: SMART; data reduction: SAINT (Bruker, 1997); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1997); software used to prepare material for publication: SHELXTL.

Bis(ferrocenyl methyl ketone thiosemicarbazone-κ²N,S)zinc tetrahydrofuran hemisolvate

Crystal data

[ZnFe2(C5H5)2(C8H9N3S)2]·0.5C4H8O	Dx = 1.465 Mg m^−3
Mr = 701.79	Melting point > 573 K
Trigonal, R3c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: R-3c	Cell parameters from 25 reflections
a = 28.912 (17) Å	µ = 1.81 mm^−1
c = 19.784 (17) Å	T = 293 K
V = 14322 (17) Å^3	Block, orange
Z = 18	0.30 × 0.25 × 0.20 mm
F(000) = 6480

Data collection

Bruker SMART CCD area-detector diffractometer	2823 independent reflections
Radiation source: fine-focus sealed tube	1496 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.133
φ and ω scans	θmax = 25.0°, θmin = 1.4°
Absorption correction: multi-scan (SADABS; Bruker, 1997)	h = −29→34
Tmin = 0.613, Tmax = 0.714	k = −34→33
19336 measured reflections	l = −17→23

Refinement

Refinement on F^2	27 restraints
Least-squares matrix: full	H-atom parameters constrained
R[F^2 > 2σ(F^2)] = 0.057	w = 1/[σ^2(Fo^2) + (0.084P)^2] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.194	(Δ/σ)max = 0.001
S = 0.96	Δρmax = 1.21 e Å^−3
2823 reflections	Δρmin = −0.40 e Å^−3
192 parameters

Special details

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 (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Fe1	0.18215 (5)	0.18690 (5)	0.08669 (6)	0.0440 (4)
Zn1	0.14007 (4)	0.3333	0.0833	0.0350 (4)
S1	0.11352 (8)	0.37230 (9)	0.00270 (10)	0.0448 (6)
N1	0.1693 (2)	0.3086 (2)	0.0038 (3)	0.0342 (15)
N2	0.1657 (3)	0.3266 (2)	−0.0608 (3)	0.0377 (15)
N3	0.1342 (3)	0.3694 (3)	−0.1264 (3)	0.059 (2)
H1	0.1289	0.3496	−0.1638	0.088*
H2	0.1089	0.3784	−0.1317	0.088*
C1	0.1517 (5)	0.1457 (4)	−0.0020 (6)	0.072 (3)
H1A	0.1460	0.1609	−0.0433	0.087*
C2	0.1986 (4)	0.1472 (4)	0.0147 (6)	0.072 (3)
H2A	0.2310	0.1621	−0.0131	0.086*
C3	0.1915 (4)	0.1223 (4)	0.0772 (7)	0.084 (4)
H3A	0.2183	0.1169	0.1008	0.101*
C4	0.1408 (5)	0.1074 (4)	0.1015 (6)	0.085 (3)
H4A	0.1249	0.0889	0.1440	0.102*
C5	0.1148 (4)	0.1221 (4)	0.0492 (7)	0.081 (3)
H5A	0.0783	0.1162	0.0502	0.097*
C6	0.2478 (3)	0.2606 (3)	0.0960 (4)	0.046 (2)
H6A	0.2817	0.2734	0.0722	0.055*
C7	0.2346 (4)	0.2354 (4)	0.1595 (4)	0.055 (2)
H7A	0.2576	0.2271	0.1872	0.066*
C8	0.1812 (4)	0.2221 (3)	0.1755 (4)	0.051 (2)
H8A	0.1616	0.2032	0.2163	0.061*
C9	0.1607 (3)	0.2397 (3)	0.1225 (4)	0.0408 (19)
H9A	0.1252	0.2361	0.1202	0.049*
C10	0.2031 (3)	0.2647 (3)	0.0722 (3)	0.0346 (17)
C11	0.2000 (3)	0.2879 (3)	0.0086 (3)	0.0355 (18)
C12	0.2335 (4)	0.2882 (4)	−0.0496 (4)	0.056 (2)
H12A	0.2325	0.3103	−0.0851	0.085*	0.50
H12B	0.2198	0.2525	−0.0660	0.085*	0.50
H12C	0.2697	0.3022	−0.0347	0.085*	0.50
H12D	0.2488	0.2663	−0.0388	0.085*	0.50
H12E	0.2616	0.3241	−0.0579	0.085*	0.50
H12F	0.2116	0.2744	−0.0892	0.085*	0.50
C13	0.1404 (3)	0.3532 (3)	−0.0635 (4)	0.043 (2)
C14	0.0242 (7)	0.0871 (7)	0.2264 (10)	0.100 (8)	0.50
H14A	0.0175	0.0642	0.1874	0.120*	0.50
H14B	0.0555	0.0911	0.2497	0.120*	0.50
C15	0.0330 (9)	0.1424 (8)	0.2040 (10)	0.129 (10)	0.50
H15A	0.0704	0.1695	0.2080	0.155*	0.50
H15B	0.0219	0.1412	0.1575	0.155*	0.50
O1	0.0000	0.1543 (6)	0.2500	0.190 (13)	0.50

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Fe1	0.0500 (8)	0.0483 (8)	0.0451 (7)	0.0331 (6)	−0.0001 (6)	0.0037 (6)
Zn1	0.0439 (6)	0.0413 (8)	0.0191 (6)	0.0206 (4)	−0.0009 (3)	−0.0018 (5)
S1	0.0572 (13)	0.0604 (14)	0.0287 (10)	0.0384 (12)	−0.0016 (9)	0.0008 (9)
N1	0.045 (4)	0.039 (4)	0.019 (3)	0.022 (3)	−0.007 (3)	−0.002 (3)
N2	0.053 (4)	0.049 (4)	0.019 (3)	0.031 (4)	0.000 (3)	0.001 (3)
N3	0.098 (6)	0.085 (6)	0.024 (4)	0.069 (5)	−0.003 (4)	0.007 (3)
C1	0.088 (8)	0.067 (7)	0.067 (7)	0.042 (7)	−0.019 (6)	−0.026 (6)
C2	0.071 (7)	0.059 (7)	0.094 (8)	0.040 (6)	0.007 (6)	−0.007 (6)
C3	0.071 (8)	0.066 (7)	0.140 (11)	0.053 (6)	−0.003 (8)	−0.007 (7)
C4	0.100 (9)	0.046 (6)	0.111 (10)	0.038 (7)	0.027 (8)	0.013 (6)
C5	0.057 (7)	0.054 (7)	0.134 (11)	0.030 (6)	−0.019 (7)	−0.022 (7)
C6	0.046 (5)	0.054 (5)	0.038 (5)	0.024 (4)	−0.003 (4)	0.003 (4)
C7	0.068 (6)	0.073 (6)	0.037 (5)	0.045 (5)	−0.014 (4)	0.001 (4)
C8	0.067 (6)	0.061 (6)	0.029 (4)	0.034 (5)	0.005 (4)	0.009 (4)
C9	0.051 (5)	0.048 (5)	0.032 (4)	0.032 (4)	0.004 (4)	0.005 (4)
C10	0.042 (4)	0.040 (4)	0.024 (4)	0.023 (4)	−0.002 (3)	0.001 (3)
C11	0.050 (5)	0.035 (4)	0.022 (4)	0.021 (4)	−0.004 (3)	−0.001 (3)
C12	0.074 (6)	0.081 (7)	0.030 (4)	0.051 (6)	0.008 (4)	0.007 (4)
C13	0.059 (5)	0.052 (5)	0.023 (4)	0.032 (5)	−0.005 (4)	−0.003 (4)
C14	0.105 (11)	0.113 (11)	0.100 (11)	0.067 (9)	0.012 (8)	−0.017 (8)
C15	0.119 (13)	0.139 (13)	0.123 (13)	0.060 (9)	0.013 (9)	0.006 (9)
O1	0.195 (14)	0.182 (15)	0.198 (16)	0.098 (7)	0.007 (9)	0.004 (4)

Geometric parameters (Å, º)

Fe1—C4	2.012 (10)	C4—C5	1.459 (15)
Fe1—C3	2.027 (9)	C4—H4A	0.9800
Fe1—C2	2.029 (10)	C5—H5A	0.9800
Fe1—C6	2.033 (8)	C6—C7	1.406 (11)
Fe1—C10	2.037 (7)	C6—C10	1.436 (10)
Fe1—C8	2.038 (8)	C6—H6A	0.9800
Fe1—C9	2.040 (7)	C7—C8	1.428 (11)
Fe1—C5	2.050 (10)	C7—H7A	0.9800
Fe1—C7	2.053 (9)	C8—C9	1.419 (10)
Fe1—C1	2.055 (10)	C8—H8A	0.9800
Zn1—N1	2.076 (6)	C9—C10	1.458 (10)
Zn1—N1^i	2.076 (6)	C9—H9A	0.9800
Zn1—S1^i	2.295 (2)	C10—C11	1.448 (9)
Zn1—S1	2.295 (2)	C11—C12	1.501 (10)
S1—C13	1.748 (8)	C12—H12A	0.9600
N1—C11	1.300 (9)	C12—H12B	0.9600
N1—N2	1.402 (8)	C12—H12C	0.9600
N2—C13	1.301 (9)	C12—H12D	0.9600
N3—C13	1.372 (9)	C12—H12E	0.9600
N3—H1	0.8985	C12—H12F	0.9600
N3—H2	0.8973	C14—C14^ii	1.531 (10)
C1—C2	1.376 (13)	C14—C15	1.553 (9)
C1—C5	1.380 (14)	C14—H14A	0.9700
C1—H1A	0.9800	C14—H14B	0.9700
C2—C3	1.394 (14)	C15—O1	1.479 (6)
C2—H2A	0.9800	C15—H15A	0.9700
C3—C4	1.393 (13)	C15—H15B	0.9700
C3—H3A	0.9800	O1—C15^ii	1.479 (6)
C4—Fe1—C3	40.4 (4)	C3—C4—H4A	126.7
C4—Fe1—C2	68.3 (5)	C5—C4—H4A	126.7
C3—Fe1—C2	40.2 (4)	Fe1—C4—H4A	126.7
C4—Fe1—C6	153.5 (4)	C1—C5—C4	106.3 (9)
C3—Fe1—C6	119.3 (4)	C1—C5—Fe1	70.5 (6)
C2—Fe1—C6	107.2 (4)	C4—C5—Fe1	67.5 (6)
C4—Fe1—C10	163.8 (4)	C1—C5—H5A	126.8
C3—Fe1—C10	154.5 (4)	C4—C5—H5A	126.8
C2—Fe1—C10	120.1 (4)	Fe1—C5—H5A	126.8
C6—Fe1—C10	41.3 (3)	C7—C6—C10	108.4 (7)
C4—Fe1—C8	107.2 (4)	C7—C6—Fe1	70.6 (5)
C3—Fe1—C8	125.6 (5)	C10—C6—Fe1	69.5 (4)
C2—Fe1—C8	162.4 (4)	C7—C6—H6A	125.8
C6—Fe1—C8	68.7 (3)	C10—C6—H6A	125.8
C10—Fe1—C8	68.9 (3)	Fe1—C6—H6A	125.8
C4—Fe1—C9	125.1 (4)	C6—C7—C8	108.3 (7)
C3—Fe1—C9	162.4 (4)	C6—C7—Fe1	69.1 (5)
C2—Fe1—C9	155.7 (4)	C8—C7—Fe1	69.0 (5)
C6—Fe1—C9	70.0 (3)	C6—C7—H7A	125.8
C10—Fe1—C9	41.9 (3)	C8—C7—H7A	125.8
C8—Fe1—C9	40.7 (3)	Fe1—C7—H7A	125.8
C4—Fe1—C5	42.1 (4)	C9—C8—C7	109.2 (7)
C3—Fe1—C5	68.1 (4)	C9—C8—Fe1	69.7 (4)
C2—Fe1—C5	67.3 (4)	C7—C8—Fe1	70.1 (5)
C6—Fe1—C5	162.4 (4)	C9—C8—H8A	125.4
C10—Fe1—C5	125.5 (4)	C7—C8—H8A	125.4
C8—Fe1—C5	121.6 (4)	Fe1—C8—H8A	125.4
C9—Fe1—C5	107.7 (4)	C8—C9—C10	106.6 (7)
C4—Fe1—C7	119.5 (4)	C8—C9—Fe1	69.6 (5)
C3—Fe1—C7	107.5 (4)	C10—C9—Fe1	69.0 (4)
C2—Fe1—C7	125.2 (4)	C8—C9—H9A	126.7
C6—Fe1—C7	40.3 (3)	C10—C9—H9A	126.7
C10—Fe1—C7	68.6 (3)	Fe1—C9—H9A	126.7
C8—Fe1—C7	40.8 (3)	C6—C10—C11	126.1 (7)
C9—Fe1—C7	69.1 (3)	C6—C10—C9	107.6 (6)
C5—Fe1—C7	156.6 (5)	C11—C10—C9	126.3 (7)
C4—Fe1—C1	67.9 (5)	C6—C10—Fe1	69.2 (4)
C3—Fe1—C1	66.6 (5)	C11—C10—Fe1	125.4 (5)
C2—Fe1—C1	39.4 (4)	C9—C10—Fe1	69.1 (4)
C6—Fe1—C1	126.1 (4)	N1—C11—C10	119.4 (6)
C10—Fe1—C1	108.9 (4)	N1—C11—C12	121.9 (6)
C8—Fe1—C1	156.5 (4)	C10—C11—C12	118.7 (7)
C9—Fe1—C1	121.9 (4)	C11—C12—H12A	109.5
C5—Fe1—C1	39.3 (4)	C11—C12—H12B	109.5
C7—Fe1—C1	162.0 (4)	H12A—C12—H12B	109.5
N1—Zn1—N1^i	109.2 (3)	C11—C12—H12C	109.5
N1—Zn1—S1^i	137.38 (17)	H12A—C12—H12C	109.5
N1^i—Zn1—S1^i	86.31 (17)	H12B—C12—H12C	109.5
N1—Zn1—S1	86.31 (17)	C11—C12—H12D	109.5
N1^i—Zn1—S1	137.39 (17)	H12A—C12—H12D	141.1
S1^i—Zn1—S1	109.12 (12)	H12B—C12—H12D	56.3
C13—S1—Zn1	93.2 (3)	H12C—C12—H12D	56.3
C11—N1—N2	115.6 (6)	C11—C12—H12E	109.5
C11—N1—Zn1	126.3 (4)	H12A—C12—H12E	56.3
N2—N1—Zn1	116.4 (4)	H12B—C12—H12E	141.1
C13—N2—N1	115.2 (6)	H12C—C12—H12E	56.3
C13—N3—H1	122.6	H12D—C12—H12E	109.5
C13—N3—H2	117.9	C11—C12—H12F	109.5
H1—N3—H2	100.6	H12A—C12—H12F	56.3
C2—C1—C5	110.2 (11)	H12B—C12—H12F	56.3
C2—C1—Fe1	69.3 (6)	H12C—C12—H12F	141.1
C5—C1—Fe1	70.2 (6)	H12D—C12—H12F	109.5
C2—C1—H1A	124.9	H12E—C12—H12F	109.5
C5—C1—H1A	124.9	N2—C13—N3	116.5 (7)
Fe1—C1—H1A	124.9	N2—C13—S1	128.8 (6)
C1—C2—C3	108.0 (10)	N3—C13—S1	114.7 (6)
C1—C2—Fe1	71.3 (6)	C14^ii—C14—C15	106.6 (5)
C3—C2—Fe1	69.8 (6)	C14^ii—C14—H14A	110.4
C1—C2—H2A	126.0	C15—C14—H14A	110.4
C3—C2—H2A	126.0	C14^ii—C14—H14B	110.4
Fe1—C2—H2A	126.0	C15—C14—H14B	110.4
C4—C3—C2	109.0 (10)	H14A—C14—H14B	108.6
C4—C3—Fe1	69.2 (5)	O1—C15—C14	105.8 (5)
C2—C3—Fe1	70.0 (6)	O1—C15—H15A	110.6
C4—C3—H3A	125.5	C14—C15—H15A	110.6
C2—C3—H3A	125.5	O1—C15—H15B	110.6
Fe1—C3—H3A	125.5	C14—C15—H15B	110.6
C3—C4—C5	106.4 (11)	H15A—C15—H15B	108.7
C3—C4—Fe1	70.4 (6)	C15^ii—O1—C15	112.5 (7)
C5—C4—Fe1	70.4 (6)
N1—Zn1—S1—C13	−2.0 (3)	C1—Fe1—C3—C4	−83.0 (8)
N1^i—Zn1—S1—C13	112.7 (4)	C4—Fe1—C3—C2	120.5 (10)
S1^i—Zn1—S1—C13	−141.3 (3)	C6—Fe1—C3—C2	−82.0 (7)
N1^i—Zn1—N1—C11	29.6 (5)	C10—Fe1—C3—C2	−47.4 (12)
S1^i—Zn1—N1—C11	−76.6 (7)	C8—Fe1—C3—C2	−165.7 (6)
S1—Zn1—N1—C11	169.0 (6)	C9—Fe1—C3—C2	159.9 (11)
N1^i—Zn1—N1—N2	−135.0 (5)	C5—Fe1—C3—C2	80.2 (7)
S1^i—Zn1—N1—N2	118.8 (4)	C7—Fe1—C3—C2	−124.2 (7)
S1—Zn1—N1—N2	4.3 (5)	C1—Fe1—C3—C2	37.5 (6)
C11—N1—N2—C13	−171.7 (7)	C2—C3—C4—C5	2.7 (12)
Zn1—N1—N2—C13	−5.5 (8)	Fe1—C3—C4—C5	61.5 (7)
C4—Fe1—C1—C2	−82.2 (7)	C2—C3—C4—Fe1	−58.9 (7)
C3—Fe1—C1—C2	−38.3 (6)	C2—Fe1—C4—C3	36.8 (7)
C6—Fe1—C1—C2	71.9 (8)	C6—Fe1—C4—C3	−48.4 (13)
C10—Fe1—C1—C2	114.7 (7)	C10—Fe1—C4—C3	161.2 (12)
C8—Fe1—C1—C2	−164.8 (8)	C8—Fe1—C4—C3	−125.1 (8)
C9—Fe1—C1—C2	159.2 (6)	C9—Fe1—C4—C3	−166.4 (7)
C5—Fe1—C1—C2	−121.9 (10)	C5—Fe1—C4—C3	116.5 (10)
C7—Fe1—C1—C2	35.9 (16)	C7—Fe1—C4—C3	−82.4 (8)
C4—Fe1—C1—C5	39.7 (6)	C1—Fe1—C4—C3	79.3 (8)
C3—Fe1—C1—C5	83.6 (7)	C3—Fe1—C4—C5	−116.5 (10)
C2—Fe1—C1—C5	121.9 (10)	C2—Fe1—C4—C5	−79.7 (7)
C6—Fe1—C1—C5	−166.2 (6)	C6—Fe1—C4—C5	−164.9 (8)
C10—Fe1—C1—C5	−123.4 (6)	C10—Fe1—C4—C5	44.7 (18)
C8—Fe1—C1—C5	−42.8 (13)	C8—Fe1—C4—C5	118.4 (7)
C9—Fe1—C1—C5	−78.9 (7)	C9—Fe1—C4—C5	77.1 (8)
C7—Fe1—C1—C5	157.9 (11)	C7—Fe1—C4—C5	161.2 (6)
C5—C1—C2—C3	2.2 (12)	C1—Fe1—C4—C5	−37.1 (6)
Fe1—C1—C2—C3	60.5 (7)	C2—C1—C5—C4	−0.5 (12)
C5—C1—C2—Fe1	−58.3 (7)	Fe1—C1—C5—C4	−58.3 (7)
C4—Fe1—C2—C1	81.3 (7)	C2—C1—C5—Fe1	57.8 (7)
C3—Fe1—C2—C1	118.2 (10)	C3—C4—C5—C1	−1.4 (12)
C6—Fe1—C2—C1	−126.5 (7)	Fe1—C4—C5—C1	60.2 (7)
C10—Fe1—C2—C1	−83.3 (7)	C3—C4—C5—Fe1	−61.6 (7)
C8—Fe1—C2—C1	159.8 (11)	C4—Fe1—C5—C1	−117.9 (9)
C9—Fe1—C2—C1	−47.2 (13)	C3—Fe1—C5—C1	−79.3 (7)
C5—Fe1—C2—C1	35.6 (6)	C2—Fe1—C5—C1	−35.7 (6)
C7—Fe1—C2—C1	−167.2 (6)	C6—Fe1—C5—C1	39.4 (15)
C4—Fe1—C2—C3	−36.9 (7)	C10—Fe1—C5—C1	76.0 (7)
C6—Fe1—C2—C3	115.3 (7)	C8—Fe1—C5—C1	161.4 (6)
C10—Fe1—C2—C3	158.5 (6)	C9—Fe1—C5—C1	119.0 (6)
C8—Fe1—C2—C3	41.6 (16)	C7—Fe1—C5—C1	−162.9 (9)
C9—Fe1—C2—C3	−165.4 (8)	C3—Fe1—C5—C4	38.7 (7)
C5—Fe1—C2—C3	−82.5 (7)	C2—Fe1—C5—C4	82.2 (7)
C7—Fe1—C2—C3	74.7 (8)	C6—Fe1—C5—C4	157.4 (11)
C1—Fe1—C2—C3	−118.2 (10)	C10—Fe1—C5—C4	−166.1 (6)
C1—C2—C3—C4	−3.0 (12)	C8—Fe1—C5—C4	−80.6 (7)
Fe1—C2—C3—C4	58.4 (7)	C9—Fe1—C5—C4	−123.1 (6)
C1—C2—C3—Fe1	−61.4 (7)	C7—Fe1—C5—C4	−45.0 (12)
C2—Fe1—C3—C4	−120.5 (10)	C1—Fe1—C5—C4	117.9 (9)
C6—Fe1—C3—C4	157.5 (7)	C4—Fe1—C6—C7	−48.8 (11)
C10—Fe1—C3—C4	−168.0 (8)	C3—Fe1—C6—C7	−82.6 (7)
C8—Fe1—C3—C4	73.8 (9)	C2—Fe1—C6—C7	−124.5 (6)
C9—Fe1—C3—C4	39.4 (17)	C10—Fe1—C6—C7	119.2 (7)
C5—Fe1—C3—C4	−40.3 (8)	C8—Fe1—C6—C7	37.3 (5)
C7—Fe1—C3—C4	115.2 (8)

Symmetry codes: (i) x−y+1/3, −y+2/3, −z+1/6; (ii) −x, −x+y, −z+1/2.