supplementary materials


hg5267 scheme

Acta Cryst. (2012). E68, m1535    [ doi:10.1107/S1600536812047812 ]

(4-{[(Pyridin-4-yl)methylidene]amino}phenyl)ferrocene

V. O. Nyamori, G. Keru and B. Omondi

Abstract top

The asymetric unit of the title compound, [Fe(C5H5)(C17H13N2)], contains two independent molecules whose conformations differ, especially in the 4-{(pyridin-4-yl)methylidene]amino}phenyl unit where one is flipped by almost 180°. The cyclopentadienyl rings of the ferrocene unit also exhibit different staggered conformations: in one molecule the conformation is staggered by 9.43 (2)° and in the other by 24.46 (1)° from an ideal eclipsed geometry. The plane of the benzene ring is tilted away from the ferrocene group in both molecules, with dihedral angles of 6.97 (1) and 10.30 (2)°. The benzene ring is also slightly twisted from the plane of the pyridine ring, with dihedral angles of 5.98 (2) and 6.51 (2)° in the two molecules.

Comment top

As part of investigation of the title compound (I) as a catalyst for synthesis of nitrogen doped shaped carbon nanomaterials we have determined its crystal structure. The compound crystallized with two independent molecules in the asymmetric unit (Fig. 1). In each molecule, the ferrocenyl moiety is linked to phenyl with imine and pyridine groups.

The conformations of the two molecules are different especially in the staggering angles of each ones cyclopentadienyl ring and also in the (pyridin-4-ylmethylene)aniline moieties. The two cyclopentadienyl rings of the ferrocene moiety also exhibit different staggered geometries where in one the conformation is skewed by 9.43 (2)° and in the other by 24.46 (1)°. This differs from the value of 15.9° observed by Nyamori & Moodley, (2011) and 2.17 (2)° by Nyamori et al., (2012) in related structures. The phenyl group is tilted away from the ferrocene group in one of the molecules by a dihedral angle of 6.97 (1)° and by a dihedral angle of 10.30 (2)° in the other molecule. The phenyl ring is also slightly twisted from the plane of the pyridyl ring by a dihedral angle of 5.98 (2)° in one and by 6.51 (2)° in the other molecule.

Related literature top

For related compounds, see: Nyamori et al. (2012); Nyamori & Moodley (2011). For the synthesis, see: Rajput et al. (2006).

Experimental top

The title compound was prepared by a modification of the reported method (Rajput et al., 2006). Into a Pyrex tube fitted with a ground glass joint 4-ferrocenylaniline (130 mg,0.47 mmol) and pyridine-4-carboxyaldehyde (76 mg, 0.71 mmol) were added. The compounds were thoroughly ground. The mixture turned into a red solid which was subjected to column chromatography using a mixture of hexane: dichloromethane in the ratio 8:2. (162 mg, 94%) m.p. 199–201°C. IR (ATR cm-1) 3430, 3043, 2954, 2876, 1621, 1582, 1465, 1336, 1168, 1083, 1032, 889, 845, 741, 643, 549, 524, 491 δ 1H (CDCl3) = 8.80 (2H, dd, J = 4.5 and 1.5 pyH), 8.54 (1H, s, CHN), 7.80 (2H, dd, J = 4.5 and 1.5 pyH), 7.54(2H, dd, J = 6.7 and 1.8 ArH), 4.69 (2H, t, J = 1.8 C5H4), 4.32 (2H, t, J = 1.8 C5H4), 4.06 (5H, s, C5H4). δ 13C (CDCl3) = 151.2, 148.5, 143.5, 138.9, 127.2, 122.9, 121.6, 96.5, 85.4, 77.1, 69.4, 66.4. m/z(%) 277.1 (23.9%) 367.2 (100%) Found: M+,367.2 for C22H18FeN2, requires M, 366.2367.

Refinement top

Carbon-bound H-atoms were placed in calculated positions [C—H = 1.00 for methine H atoms and 0.95 Å for aromatic H atoms; Uiso(H) = 1.2Ueq(C) and were included in the refinement in the riding model approximation

Computing details top

Data collection: APEX2 (Bruker, 2008); cell refinement: SAINT-Plus (Bruker, 2008); data reduction: SAINT-Plus and XPREP (Bruker, 2008); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 2012); software used to prepare material for publication: WinGX (Farrugia, 2012).

Figures top
[Figure 1] Fig. 1. The asymmetric unit of the title compound with displacement ellipsoids drawn at the 50% probability level.
(4-{[(Pyridin-4-yl)methylidene]amino}phenyl)ferrocene top
Crystal data top
[Fe(C5H5)(C17H13N2)]F(000) = 760
Mr = 366.23Dx = 1.472 Mg m3
Monoclinic, P21Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2ybCell parameters from 36615 reflections
a = 10.7200 (3) Åθ = 1.9–28.3°
b = 7.4015 (2) ŵ = 0.92 mm1
c = 20.8517 (6) ÅT = 173 K
β = 93.044 (1)°Plate, red
V = 1652.12 (8) Å30.56 × 0.45 × 0.1 mm
Z = 4
Data collection top
Bruker SMART APEXII CCD
diffractometer
7617 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.021
φ and ω scansθmax = 28.3°, θmin = 1.9°
Absorption correction: multi-scan
(SADABS; Bruker, 2008)
h = 1414
Tmin = 0.627, Tmax = 0.914k = 99
36615 measured reflectionsl = 2727
7976 independent reflections
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.022H-atom parameters constrained
wR(F2) = 0.061 w = 1/[σ2(Fo2) + (0.0387P)2 + 0.2134P]
where P = (Fo2 + 2Fc2)/3
S = 1.02(Δ/σ)max = 0.004
7976 reflectionsΔρmax = 0.35 e Å3
451 parametersΔρmin = 0.26 e Å3
1 restraintAbsolute structure: Flack (1983), 3568 Friedel pairs
Primary atom site location: structure-invariant direct methodsFlack parameter: 0.003 (8)
Crystal data top
[Fe(C5H5)(C17H13N2)]V = 1652.12 (8) Å3
Mr = 366.23Z = 4
Monoclinic, P21Mo Kα radiation
a = 10.7200 (3) ŵ = 0.92 mm1
b = 7.4015 (2) ÅT = 173 K
c = 20.8517 (6) Å0.56 × 0.45 × 0.1 mm
β = 93.044 (1)°
Data collection top
Bruker SMART APEXII CCD
diffractometer
7976 independent reflections
Absorption correction: multi-scan
(SADABS; Bruker, 2008)
7617 reflections with I > 2σ(I)
Tmin = 0.627, Tmax = 0.914Rint = 0.021
36615 measured reflectionsθmax = 28.3°
Refinement top
R[F2 > 2σ(F2)] = 0.022H-atom parameters constrained
wR(F2) = 0.061Δρmax = 0.35 e Å3
S = 1.02Δρmin = 0.26 e Å3
7976 reflectionsAbsolute structure: Flack (1983), 3568 Friedel pairs
451 parametersFlack parameter: 0.003 (8)
1 restraint
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
C10.20957 (14)0.3249 (2)0.67558 (7)0.0191 (3)
H10.18160.35730.71910.023*
C20.15953 (15)0.3946 (2)0.61587 (7)0.0185 (3)
H20.09080.48550.61020.022*
C30.22454 (14)0.3131 (2)0.56577 (7)0.0171 (3)
H30.20980.33690.51880.021*
C40.31388 (13)0.1905 (2)0.59426 (7)0.0166 (3)
H40.37290.11330.57070.02*
C50.30458 (13)0.1976 (2)0.66213 (7)0.0178 (3)
H50.35540.12550.69460.021*
C60.00589 (14)0.0038 (3)0.55626 (7)0.0211 (3)
H60.01770.04490.51160.025*
C70.04881 (13)0.0643 (2)0.61311 (7)0.0179 (3)
H70.11760.1550.61520.022*
C80.01177 (13)0.0265 (2)0.66683 (7)0.0149 (3)
C90.10583 (14)0.1422 (2)0.64227 (8)0.0174 (3)
H90.16440.22150.66840.021*
C100.10134 (15)0.1233 (2)0.57398 (7)0.0199 (3)
H100.15630.1870.5440.024*
C110.01936 (12)0.0109 (2)0.73452 (6)0.0139 (3)
C120.04916 (13)0.1044 (2)0.78316 (7)0.0158 (3)
H120.11930.17450.77240.019*
C130.01676 (13)0.0967 (2)0.84662 (7)0.0169 (3)
H130.06470.16070.87880.02*
C140.08678 (12)0.0055 (2)0.86320 (6)0.0145 (3)
C150.15556 (12)0.0982 (2)0.81531 (7)0.0162 (3)
H150.22610.16740.82610.019*
C160.12222 (12)0.0908 (2)0.75184 (7)0.0159 (3)
H160.170.15560.71980.019*
C180.06579 (13)0.0307 (2)0.97509 (7)0.0182 (3)
H180.01520.0790.97010.022*
C190.11390 (13)0.0168 (2)1.03980 (7)0.0160 (3)
C200.22562 (13)0.0726 (2)1.05145 (7)0.0171 (3)
H200.27360.12851.01740.021*
C210.26468 (13)0.0777 (2)1.11383 (7)0.0181 (3)
H210.34030.13911.12140.022*
C220.09449 (14)0.0818 (2)1.15239 (7)0.0195 (3)
H220.0480.13561.18740.023*
C230.04700 (14)0.0934 (2)1.09183 (7)0.0183 (3)
H230.03010.1531.08610.022*
C250.47353 (17)0.2943 (3)1.44743 (8)0.0317 (5)
H250.47370.27661.4950.038*
C260.55420 (15)0.2065 (3)1.40464 (10)0.0325 (4)
H260.62160.11731.41650.039*
C270.52195 (17)0.2742 (3)1.34222 (8)0.0308 (4)
H270.56180.23891.30180.037*
C280.42534 (18)0.3972 (3)1.34697 (9)0.0321 (4)
H280.38340.46461.31030.039*
C290.39537 (16)0.4108 (3)1.41095 (10)0.0314 (4)
H290.3290.48981.42790.038*
C300.35572 (14)0.1180 (2)1.35855 (7)0.0164 (3)
H300.42630.20221.35080.02*
C310.30509 (14)0.0828 (2)1.41874 (7)0.0182 (3)
H310.33440.13711.46080.022*
C320.20671 (13)0.0452 (2)1.40931 (7)0.0182 (3)
H320.1550.09641.44350.022*
C330.19597 (13)0.0893 (2)1.34280 (7)0.0159 (3)
H330.13520.17681.32210.019*
C340.28865 (12)0.0117 (2)1.31064 (7)0.0138 (3)
C350.30847 (12)0.0040 (2)1.24143 (6)0.0137 (3)
C360.41133 (13)0.0874 (2)1.21457 (7)0.0160 (3)
H360.47250.14571.2420.019*
C370.42527 (13)0.0863 (2)1.14895 (7)0.0171 (3)
H370.49520.14441.13180.021*
C380.33697 (13)0.0000 (2)1.10776 (7)0.0154 (3)
C390.23483 (13)0.0843 (2)1.13411 (7)0.0162 (3)
H390.17410.14341.10670.019*
C400.22120 (12)0.0825 (2)1.19986 (7)0.0155 (3)
H400.15140.14111.21690.019*
C410.43585 (13)0.0300 (2)1.01043 (7)0.0176 (3)
H410.50870.07081.0340.021*
C420.43572 (13)0.0157 (2)0.94004 (7)0.0157 (3)
C430.53776 (14)0.0773 (2)0.90737 (7)0.0177 (3)
H430.60980.12320.93040.021*
C440.53226 (14)0.0705 (2)0.84080 (7)0.0185 (3)
H440.60120.11680.81910.022*
C450.33986 (14)0.0620 (2)0.83717 (7)0.0185 (3)
H450.27160.11430.81290.022*
C460.33457 (13)0.0570 (2)0.90332 (7)0.0176 (3)
H460.26360.10220.92350.021*
N10.13098 (11)0.02096 (18)0.92604 (6)0.0166 (2)
N20.20154 (12)0.00054 (19)1.16425 (6)0.0191 (3)
N30.33899 (11)0.01199 (18)1.03994 (6)0.0176 (3)
N40.43575 (11)0.00276 (19)0.80527 (6)0.0187 (3)
Fe10.137820 (17)0.12015 (2)0.617436 (8)0.01160 (6)
Fe20.371923 (17)0.14988 (2)1.379891 (9)0.01317 (6)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
C10.0227 (7)0.0168 (8)0.0180 (7)0.0065 (6)0.0043 (6)0.0047 (6)
C20.0210 (7)0.0111 (8)0.0234 (8)0.0012 (6)0.0010 (6)0.0004 (6)
C30.0228 (7)0.0144 (8)0.0141 (7)0.0048 (6)0.0008 (6)0.0020 (6)
C40.0146 (6)0.0157 (8)0.0200 (7)0.0028 (5)0.0048 (5)0.0005 (6)
C50.0163 (7)0.0193 (9)0.0174 (7)0.0041 (6)0.0019 (5)0.0020 (6)
C60.0211 (7)0.0266 (9)0.0154 (7)0.0099 (6)0.0019 (6)0.0001 (6)
C70.0140 (6)0.0216 (9)0.0179 (7)0.0036 (5)0.0008 (5)0.0014 (6)
C80.0159 (6)0.0130 (8)0.0158 (6)0.0046 (5)0.0006 (5)0.0004 (6)
C90.0212 (7)0.0100 (8)0.0213 (7)0.0023 (6)0.0035 (6)0.0013 (6)
C100.0254 (8)0.0166 (8)0.0183 (7)0.0062 (6)0.0051 (6)0.0062 (6)
C110.0137 (6)0.0127 (7)0.0153 (6)0.0046 (5)0.0013 (5)0.0002 (5)
C120.0129 (6)0.0155 (8)0.0190 (7)0.0010 (5)0.0014 (5)0.0012 (6)
C130.0140 (6)0.0168 (8)0.0196 (7)0.0008 (5)0.0007 (5)0.0034 (6)
C140.0147 (6)0.0136 (7)0.0154 (6)0.0026 (5)0.0016 (5)0.0007 (5)
C150.0153 (6)0.0141 (7)0.0194 (7)0.0009 (5)0.0018 (5)0.0012 (6)
C160.0165 (6)0.0151 (8)0.0158 (6)0.0012 (5)0.0017 (5)0.0013 (5)
C180.0168 (7)0.0183 (8)0.0195 (7)0.0015 (6)0.0026 (5)0.0010 (6)
C190.0182 (7)0.0137 (7)0.0160 (6)0.0026 (5)0.0005 (5)0.0001 (5)
C200.0161 (6)0.0164 (8)0.0185 (7)0.0012 (5)0.0020 (5)0.0019 (5)
C210.0166 (7)0.0161 (8)0.0217 (7)0.0008 (5)0.0019 (5)0.0005 (6)
C220.0226 (7)0.0178 (9)0.0177 (7)0.0017 (6)0.0022 (6)0.0036 (6)
C230.0178 (7)0.0169 (8)0.0202 (7)0.0024 (6)0.0003 (5)0.0000 (6)
C250.0372 (9)0.0420 (13)0.0158 (8)0.0270 (9)0.0006 (7)0.0029 (7)
C260.0161 (7)0.0211 (10)0.0593 (12)0.0064 (7)0.0089 (7)0.0061 (9)
C270.0354 (9)0.0317 (11)0.0265 (9)0.0191 (8)0.0149 (7)0.0102 (8)
C280.0376 (10)0.0210 (10)0.0365 (10)0.0138 (8)0.0092 (8)0.0079 (8)
C290.0268 (8)0.0176 (9)0.0505 (12)0.0084 (7)0.0075 (8)0.0118 (8)
C300.0183 (7)0.0118 (8)0.0188 (7)0.0014 (5)0.0005 (5)0.0012 (6)
C310.0204 (7)0.0185 (9)0.0155 (7)0.0054 (6)0.0006 (5)0.0021 (6)
C320.0173 (7)0.0192 (8)0.0183 (7)0.0046 (6)0.0037 (5)0.0049 (6)
C330.0133 (6)0.0164 (9)0.0179 (7)0.0002 (5)0.0009 (5)0.0020 (6)
C340.0127 (6)0.0124 (7)0.0162 (7)0.0020 (5)0.0001 (5)0.0017 (6)
C350.0138 (6)0.0118 (7)0.0153 (6)0.0026 (5)0.0001 (5)0.0025 (5)
C360.0148 (6)0.0156 (8)0.0176 (7)0.0008 (5)0.0008 (5)0.0001 (5)
C370.0154 (7)0.0153 (8)0.0208 (7)0.0019 (5)0.0028 (5)0.0006 (6)
C380.0174 (6)0.0135 (7)0.0153 (6)0.0019 (5)0.0015 (5)0.0004 (5)
C390.0156 (6)0.0164 (8)0.0165 (6)0.0014 (5)0.0017 (5)0.0009 (5)
C400.0142 (6)0.0138 (7)0.0184 (6)0.0015 (5)0.0013 (5)0.0010 (5)
C410.0180 (7)0.0168 (8)0.0179 (7)0.0014 (5)0.0006 (5)0.0006 (6)
C420.0176 (6)0.0130 (7)0.0166 (6)0.0034 (5)0.0009 (5)0.0009 (5)
C430.0169 (7)0.0163 (8)0.0197 (7)0.0007 (5)0.0005 (5)0.0005 (6)
C440.0185 (7)0.0188 (9)0.0187 (7)0.0005 (6)0.0042 (6)0.0013 (6)
C450.0178 (7)0.0167 (8)0.0209 (7)0.0004 (5)0.0008 (5)0.0005 (6)
C460.0173 (6)0.0152 (8)0.0205 (7)0.0008 (5)0.0027 (5)0.0001 (6)
N10.0182 (6)0.0161 (7)0.0156 (6)0.0017 (5)0.0029 (4)0.0000 (5)
N20.0212 (6)0.0187 (7)0.0176 (6)0.0031 (5)0.0029 (5)0.0006 (5)
N30.0211 (6)0.0164 (7)0.0154 (6)0.0010 (5)0.0018 (5)0.0002 (5)
N40.0209 (6)0.0179 (7)0.0175 (6)0.0012 (5)0.0014 (5)0.0009 (5)
Fe10.01265 (9)0.01060 (13)0.01159 (9)0.00095 (7)0.00106 (7)0.00014 (8)
Fe20.01361 (9)0.01336 (14)0.01255 (9)0.00240 (8)0.00063 (7)0.00082 (8)
Geometric parameters (Å, º) top
C1—C21.426 (2)C25—C291.399 (3)
C1—C51.427 (2)C25—C261.431 (3)
C1—Fe12.0638 (16)C25—Fe22.0369 (17)
C1—H11C25—H251
C2—C31.421 (2)C26—C271.420 (3)
C2—Fe12.0450 (17)C26—Fe22.0378 (16)
C2—H21C26—H261
C3—C41.426 (2)C27—C281.387 (3)
C3—Fe12.0423 (15)C27—Fe22.0454 (16)
C3—H31C27—H271
C4—C51.425 (2)C28—C291.392 (3)
C4—Fe12.0404 (14)C28—Fe22.0476 (19)
C4—H41C28—H281
C5—Fe12.0531 (15)C29—Fe22.0478 (19)
C5—H51C29—H291
C6—C71.422 (2)C30—C311.418 (2)
C6—C101.424 (2)C30—C341.434 (2)
C6—Fe12.0440 (15)C30—Fe22.0372 (16)
C6—H61C30—H301
C7—C81.432 (2)C31—C321.423 (2)
C7—Fe12.0402 (14)C31—Fe22.0484 (16)
C7—H71C31—H311
C8—C91.438 (2)C32—C331.423 (2)
C8—C111.4720 (19)C32—Fe22.0564 (14)
C8—Fe12.0525 (14)C32—H321
C9—C101.429 (2)C33—C341.4374 (19)
C9—Fe12.0430 (17)C33—Fe22.0500 (14)
C9—H91C33—H331
C10—Fe12.0453 (17)C34—C351.4709 (19)
C10—H101C34—Fe22.0433 (14)
C11—C161.3983 (19)C35—C401.3966 (19)
C11—C121.403 (2)C35—C361.4060 (19)
C12—C131.387 (2)C36—C371.384 (2)
C12—H120.95C36—H360.95
C13—C141.401 (2)C37—C381.398 (2)
C13—H130.95C37—H370.95
C14—C151.391 (2)C38—C391.398 (2)
C14—N11.4215 (17)C38—N31.4181 (17)
C15—C161.3901 (19)C39—C401.3865 (19)
C15—H150.95C39—H390.95
C16—H160.95C40—H400.95
C18—N11.2668 (19)C41—N31.2732 (19)
C18—C191.4733 (19)C41—C421.4716 (19)
C18—H180.95C41—H410.95
C19—C231.390 (2)C42—C431.396 (2)
C19—C201.401 (2)C42—C461.401 (2)
C20—C211.388 (2)C43—C441.387 (2)
C20—H200.95C43—H430.95
C21—N21.3467 (19)C44—N41.338 (2)
C21—H210.95C44—H440.95
C22—N21.334 (2)C45—N41.3421 (19)
C22—C231.389 (2)C45—C461.384 (2)
C22—H220.95C45—H450.95
C23—H230.95C46—H460.95
C2—C1—C5107.87 (14)Fe2—C32—H32126
C2—C1—Fe168.99 (9)C32—C33—C34108.25 (13)
C5—C1—Fe169.32 (9)C32—C33—Fe269.96 (8)
C2—C1—H1126.1C34—C33—Fe269.19 (8)
C5—C1—H1126.1C32—C33—H33125.9
Fe1—C1—H1126.1C34—C33—H33125.9
C3—C2—C1108.18 (14)Fe2—C33—H33125.9
C3—C2—Fe169.56 (9)C30—C34—C33107.08 (12)
C1—C2—Fe170.41 (9)C30—C34—C35127.69 (13)
C3—C2—H2125.9C33—C34—C35125.24 (13)
C1—C2—H2125.9C30—C34—Fe269.19 (8)
Fe1—C2—H2125.9C33—C34—Fe269.69 (8)
C2—C3—C4107.98 (13)C35—C34—Fe2126.17 (10)
C2—C3—Fe169.76 (9)C40—C35—C36117.90 (13)
C4—C3—Fe169.48 (8)C40—C35—C34119.99 (12)
C2—C3—H3126C36—C35—C34122.07 (13)
C4—C3—H3126C37—C36—C35121.27 (13)
Fe1—C3—H3126C37—C36—H36119.4
C5—C4—C3108.03 (13)C35—C36—H36119.4
C5—C4—Fe170.11 (8)C36—C37—C38120.33 (13)
C3—C4—Fe169.63 (8)C36—C37—H37119.8
C5—C4—H4126C38—C37—H37119.8
C3—C4—H4126C39—C38—C37118.76 (13)
Fe1—C4—H4126C39—C38—N3114.71 (12)
C4—C5—C1107.94 (13)C37—C38—N3126.53 (13)
C4—C5—Fe169.15 (8)C40—C39—C38120.70 (13)
C1—C5—Fe170.13 (8)C40—C39—H39119.7
C4—C5—H5126C38—C39—H39119.7
C1—C5—H5126C39—C40—C35121.04 (13)
Fe1—C5—H5126C39—C40—H40119.5
C7—C6—C10108.30 (13)C35—C40—H40119.5
C7—C6—Fe169.48 (8)N3—C41—C42120.46 (13)
C10—C6—Fe169.67 (9)N3—C41—H41119.8
C7—C6—H6125.8C42—C41—H41119.8
C10—C6—H6125.8C43—C42—C46117.56 (13)
Fe1—C6—H6125.8C43—C42—C41120.27 (13)
C6—C7—C8108.32 (14)C46—C42—C41122.16 (13)
C6—C7—Fe169.76 (8)C44—C43—C42118.93 (14)
C8—C7—Fe169.98 (8)C44—C43—H43120.5
C6—C7—H7125.8C42—C43—H43120.5
C8—C7—H7125.8N4—C44—C43123.94 (14)
Fe1—C7—H7125.8N4—C44—H44118
C7—C8—C9107.35 (13)C43—C44—H44118
C7—C8—C11126.64 (14)N4—C45—C46123.88 (13)
C9—C8—C11125.96 (13)N4—C45—H45118.1
C7—C8—Fe169.06 (8)C46—C45—H45118.1
C9—C8—Fe169.10 (8)C45—C46—C42118.90 (13)
C11—C8—Fe1128.95 (10)C45—C46—H46120.6
C10—C9—C8108.04 (14)C42—C46—H46120.6
C10—C9—Fe169.63 (10)C18—N1—C14121.56 (12)
C8—C9—Fe169.80 (9)C22—N2—C21116.78 (12)
C10—C9—H9126C41—N3—C38121.52 (13)
C8—C9—H9126C44—N4—C45116.72 (12)
Fe1—C9—H9126C4—Fe1—C7163.42 (6)
C6—C10—C9107.99 (14)C4—Fe1—C340.89 (6)
C6—C10—Fe169.57 (10)C7—Fe1—C3126.24 (6)
C9—C10—Fe169.46 (9)C4—Fe1—C9118.18 (6)
C6—C10—H10126C7—Fe1—C968.98 (7)
C9—C10—H10126C3—Fe1—C9152.31 (6)
Fe1—C10—H10126C4—Fe1—C6125.29 (6)
C16—C11—C12117.94 (12)C7—Fe1—C640.76 (6)
C16—C11—C8120.79 (12)C3—Fe1—C6106.54 (6)
C12—C11—C8121.20 (13)C9—Fe1—C668.77 (7)
C13—C12—C11121.44 (13)C4—Fe1—C10106.10 (6)
C13—C12—H12119.3C7—Fe1—C1068.77 (6)
C11—C12—H12119.3C3—Fe1—C10117.65 (6)
C12—C13—C14119.93 (13)C9—Fe1—C1040.92 (6)
C12—C13—H13120C6—Fe1—C1040.77 (7)
C14—C13—H13120C4—Fe1—C268.62 (6)
C15—C14—C13119.08 (13)C7—Fe1—C2108.22 (7)
C15—C14—N1115.60 (12)C3—Fe1—C240.68 (6)
C13—C14—N1125.31 (13)C9—Fe1—C2165.63 (6)
C16—C15—C14120.71 (13)C6—Fe1—C2118.96 (7)
C16—C15—H15119.6C10—Fe1—C2152.54 (7)
C14—C15—H15119.6C4—Fe1—C8153.59 (6)
C15—C16—C11120.89 (13)C7—Fe1—C840.96 (6)
C15—C16—H16119.6C3—Fe1—C8164.75 (6)
C11—C16—H16119.6C9—Fe1—C841.10 (6)
N1—C18—C19120.89 (13)C6—Fe1—C868.79 (6)
N1—C18—H18119.6C10—Fe1—C868.96 (6)
C19—C18—H18119.6C2—Fe1—C8127.72 (6)
C23—C19—C20117.91 (13)C4—Fe1—C540.74 (6)
C23—C19—C18119.68 (13)C7—Fe1—C5154.79 (6)
C20—C19—C18122.41 (13)C3—Fe1—C568.57 (6)
C21—C20—C19118.60 (13)C9—Fe1—C5107.69 (6)
C21—C20—H20120.7C6—Fe1—C5163.29 (7)
C19—C20—H20120.7C10—Fe1—C5126.03 (7)
N2—C21—C20123.77 (13)C2—Fe1—C568.47 (6)
N2—C21—H21118.1C8—Fe1—C5120.02 (6)
C20—C21—H21118.1C4—Fe1—C168.36 (6)
N2—C22—C23123.87 (14)C7—Fe1—C1120.58 (6)
N2—C22—H22118.1C3—Fe1—C168.31 (6)
C23—C22—H22118.1C9—Fe1—C1127.68 (6)
C22—C23—C19119.05 (14)C6—Fe1—C1154.16 (7)
C22—C23—H23120.5C10—Fe1—C1164.52 (7)
C19—C23—H23120.5C2—Fe1—C140.60 (6)
C29—C25—C26107.78 (16)C8—Fe1—C1109.17 (6)
C29—C25—Fe270.40 (10)C5—Fe1—C140.55 (6)
C26—C25—Fe269.47 (10)C25—Fe2—C30134.26 (8)
C29—C25—H25126.1C25—Fe2—C2641.13 (8)
C26—C25—H25126.1C30—Fe2—C26108.95 (7)
Fe2—C25—H25126.1C25—Fe2—C34173.31 (7)
C27—C26—C25106.57 (17)C30—Fe2—C3441.16 (6)
C27—C26—Fe269.93 (9)C26—Fe2—C34132.56 (7)
C25—C26—Fe269.40 (9)C25—Fe2—C2768.10 (7)
C27—C26—H26126.7C30—Fe2—C27114.42 (7)
C25—C26—H26126.7C26—Fe2—C2740.71 (8)
Fe2—C26—H26126.7C34—Fe2—C27108.35 (6)
C28—C27—C26108.23 (16)C25—Fe2—C2867.29 (8)
C28—C27—Fe270.28 (10)C30—Fe2—C28144.98 (8)
C26—C27—Fe269.36 (9)C26—Fe2—C2867.65 (8)
C28—C27—H27125.9C34—Fe2—C28113.94 (7)
C26—C27—H27125.9C27—Fe2—C2839.61 (8)
Fe2—C27—H27125.9C25—Fe2—C2940.04 (8)
C27—C28—C29109.07 (17)C30—Fe2—C29173.85 (7)
C27—C28—Fe270.11 (11)C26—Fe2—C2968.05 (8)
C29—C28—Fe270.13 (11)C34—Fe2—C29144.79 (7)
C27—C28—H28125.5C27—Fe2—C2967.14 (7)
C29—C28—H28125.5C28—Fe2—C2939.75 (8)
Fe2—C28—H28125.5C25—Fe2—C31110.67 (7)
C28—C29—C25108.35 (17)C30—Fe2—C3140.61 (6)
C28—C29—Fe270.12 (11)C26—Fe2—C31115.05 (7)
C25—C29—Fe269.55 (11)C34—Fe2—C3168.82 (6)
C28—C29—H29125.8C27—Fe2—C31145.95 (8)
C25—C29—H29125.8C28—Fe2—C31173.76 (8)
Fe2—C29—H29125.8C29—Fe2—C31135.00 (7)
C31—C30—C34108.32 (13)C25—Fe2—C33145.40 (7)
C31—C30—Fe270.12 (9)C30—Fe2—C3368.82 (6)
C34—C30—Fe269.65 (9)C26—Fe2—C33172.40 (8)
C31—C30—H30125.8C34—Fe2—C3341.12 (5)
C34—C30—H30125.8C27—Fe2—C33132.84 (7)
Fe2—C30—H30125.8C28—Fe2—C33109.70 (7)
C30—C31—C32108.40 (13)C29—Fe2—C33114.87 (7)
C30—C31—Fe269.27 (9)C31—Fe2—C3368.36 (6)
C32—C31—Fe270.01 (9)C25—Fe2—C32115.39 (6)
C30—C31—H31125.8C30—Fe2—C3268.52 (6)
C32—C31—H31125.8C26—Fe2—C32146.23 (7)
Fe2—C31—H31125.8C34—Fe2—C3268.87 (6)
C31—C32—C33107.94 (13)C27—Fe2—C32172.39 (8)
C31—C32—Fe269.41 (9)C28—Fe2—C32134.22 (8)
C33—C32—Fe269.48 (8)C29—Fe2—C32110.73 (7)
C31—C32—H32126C31—Fe2—C3240.58 (6)
C33—C32—H32126C33—Fe2—C3240.56 (6)
C5—C1—C2—C30.94 (17)C3—C2—Fe1—C437.82 (9)
Fe1—C1—C2—C359.52 (11)C1—C2—Fe1—C481.28 (9)
C5—C1—C2—Fe158.58 (11)C3—C2—Fe1—C7124.87 (9)
C1—C2—C3—C40.88 (17)C1—C2—Fe1—C7116.04 (9)
Fe1—C2—C3—C459.18 (11)C1—C2—Fe1—C3119.09 (13)
C1—C2—C3—Fe160.06 (11)C3—C2—Fe1—C9158.8 (2)
C2—C3—C4—C50.48 (17)C1—C2—Fe1—C939.7 (3)
Fe1—C3—C4—C559.84 (10)C3—C2—Fe1—C681.68 (10)
C2—C3—C4—Fe159.36 (11)C1—C2—Fe1—C6159.22 (9)
C3—C4—C5—C10.10 (17)C3—C2—Fe1—C1046.00 (17)
Fe1—C4—C5—C159.63 (10)C1—C2—Fe1—C10165.10 (12)
C3—C4—C5—Fe159.53 (10)C3—C2—Fe1—C8166.25 (8)
C2—C1—C5—C40.64 (17)C1—C2—Fe1—C874.66 (11)
Fe1—C1—C5—C459.02 (10)C3—C2—Fe1—C581.74 (9)
C2—C1—C5—Fe158.38 (11)C1—C2—Fe1—C537.35 (9)
C10—C6—C7—C80.54 (18)C3—C2—Fe1—C1119.09 (13)
Fe1—C6—C7—C859.57 (11)C7—C8—Fe1—C4165.32 (13)
C10—C6—C7—Fe159.03 (11)C9—C8—Fe1—C446.11 (17)
C6—C7—C8—C90.76 (17)C11—C8—Fe1—C473.9 (2)
Fe1—C7—C8—C958.68 (10)C9—C8—Fe1—C7119.21 (13)
C6—C7—C8—C11176.91 (14)C11—C8—Fe1—C7120.82 (18)
Fe1—C7—C8—C11123.65 (15)C7—C8—Fe1—C337.2 (3)
C6—C7—C8—Fe159.44 (11)C9—C8—Fe1—C3156.4 (2)
C7—C8—C9—C100.69 (17)C11—C8—Fe1—C383.6 (2)
C11—C8—C9—C10177.00 (14)C7—C8—Fe1—C9119.21 (13)
Fe1—C8—C9—C1059.34 (11)C11—C8—Fe1—C9119.97 (17)
C7—C8—C9—Fe158.65 (10)C7—C8—Fe1—C637.60 (10)
C11—C8—C9—Fe1123.66 (14)C9—C8—Fe1—C681.61 (10)
C7—C6—C10—C90.11 (18)C11—C8—Fe1—C6158.43 (16)
Fe1—C6—C10—C959.02 (11)C7—C8—Fe1—C1081.45 (10)
C7—C6—C10—Fe158.91 (11)C9—C8—Fe1—C1037.76 (9)
C8—C9—C10—C60.36 (18)C11—C8—Fe1—C10157.73 (15)
Fe1—C9—C10—C659.09 (11)C7—C8—Fe1—C273.27 (11)
C8—C9—C10—Fe159.45 (11)C9—C8—Fe1—C2167.51 (9)
C7—C8—C11—C164.6 (2)C11—C8—Fe1—C247.55 (16)
C9—C8—C11—C16172.66 (15)C7—C8—Fe1—C5158.17 (9)
Fe1—C8—C11—C1696.22 (16)C9—C8—Fe1—C582.62 (10)
C7—C8—C11—C12178.58 (15)C11—C8—Fe1—C537.35 (16)
C9—C8—C11—C124.2 (2)C7—C8—Fe1—C1114.92 (10)
Fe1—C8—C11—C1286.95 (17)C9—C8—Fe1—C1125.87 (9)
C16—C11—C12—C130.1 (2)C11—C8—Fe1—C15.91 (15)
C8—C11—C12—C13177.04 (14)C1—C5—Fe1—C4119.21 (13)
C11—C12—C13—C140.3 (2)C4—C5—Fe1—C7169.02 (14)
C12—C13—C14—C150.1 (2)C1—C5—Fe1—C749.81 (19)
C12—C13—C14—N1178.58 (14)C4—C5—Fe1—C337.94 (9)
C13—C14—C15—C160.2 (2)C1—C5—Fe1—C381.27 (10)
N1—C14—C15—C16179.05 (13)C4—C5—Fe1—C9112.90 (10)
C14—C15—C16—C110.4 (2)C1—C5—Fe1—C9127.89 (10)
C12—C11—C16—C150.2 (2)C4—C5—Fe1—C637.9 (3)
C8—C11—C16—C15176.71 (14)C1—C5—Fe1—C6157.1 (2)
N1—C18—C19—C23172.48 (15)C4—C5—Fe1—C1071.38 (11)
N1—C18—C19—C207.8 (2)C1—C5—Fe1—C10169.41 (9)
C23—C19—C20—C211.0 (2)C4—C5—Fe1—C281.81 (10)
C18—C19—C20—C21179.35 (14)C1—C5—Fe1—C237.40 (9)
C19—C20—C21—N20.3 (2)C4—C5—Fe1—C8156.08 (9)
N2—C22—C23—C190.5 (2)C1—C5—Fe1—C884.71 (11)
C20—C19—C23—C221.3 (2)C4—C5—Fe1—C1119.21 (13)
C18—C19—C23—C22178.98 (14)C2—C1—Fe1—C481.96 (10)
C29—C25—C26—C270.1 (2)C5—C1—Fe1—C437.79 (9)
Fe2—C25—C26—C2760.38 (12)C2—C1—Fe1—C782.45 (10)
C29—C25—C26—Fe260.25 (12)C5—C1—Fe1—C7157.79 (9)
C25—C26—C27—C280.3 (2)C2—C1—Fe1—C337.81 (9)
Fe2—C26—C27—C2859.76 (13)C5—C1—Fe1—C381.95 (10)
C25—C26—C27—Fe260.03 (11)C2—C1—Fe1—C9168.44 (9)
C26—C27—C28—C290.3 (2)C5—C1—Fe1—C971.81 (11)
Fe2—C27—C28—C2959.50 (13)C2—C1—Fe1—C645.40 (18)
C26—C27—C28—Fe259.18 (12)C5—C1—Fe1—C6165.16 (13)
C27—C28—C29—C250.2 (2)C2—C1—Fe1—C10153.6 (2)
Fe2—C28—C29—C2559.25 (13)C5—C1—Fe1—C1033.9 (3)
C27—C28—C29—Fe259.49 (13)C5—C1—Fe1—C2119.75 (13)
C26—C25—C29—C280.1 (2)C2—C1—Fe1—C8126.14 (9)
Fe2—C25—C29—C2859.60 (13)C5—C1—Fe1—C8114.11 (9)
C26—C25—C29—Fe259.66 (12)C2—C1—Fe1—C5119.75 (13)
C34—C30—C31—C320.12 (17)C29—C25—Fe2—C30176.60 (10)
Fe2—C30—C31—C3259.26 (11)C26—C25—Fe2—C3064.75 (14)
C34—C30—C31—Fe259.38 (11)C29—C25—Fe2—C26118.65 (15)
C30—C31—C32—C330.18 (18)C29—C25—Fe2—C2780.07 (12)
Fe2—C31—C32—C3358.98 (11)C26—C25—Fe2—C2738.57 (12)
C30—C31—C32—Fe258.80 (11)C29—C25—Fe2—C2837.12 (11)
C31—C32—C33—C340.17 (18)C26—C25—Fe2—C2881.53 (12)
Fe2—C32—C33—C3458.77 (10)C26—C25—Fe2—C29118.65 (15)
C31—C32—C33—Fe258.94 (11)C29—C25—Fe2—C31136.53 (10)
C31—C30—C34—C330.01 (17)C26—C25—Fe2—C31104.82 (11)
Fe2—C30—C34—C3359.66 (10)C29—C25—Fe2—C3354.99 (16)
C31—C30—C34—C35179.96 (14)C26—C25—Fe2—C33173.64 (12)
Fe2—C30—C34—C35120.29 (15)C29—C25—Fe2—C3292.54 (12)
C31—C30—C34—Fe259.67 (11)C26—C25—Fe2—C32148.81 (11)
C32—C33—C34—C300.10 (17)C31—C30—Fe2—C2567.72 (12)
Fe2—C33—C34—C3059.34 (10)C34—C30—Fe2—C25172.89 (9)
C32—C33—C34—C35179.85 (14)C31—C30—Fe2—C26106.69 (10)
Fe2—C33—C34—C35120.61 (14)C34—C30—Fe2—C26133.92 (9)
C32—C33—C34—Fe259.25 (11)C31—C30—Fe2—C34119.39 (12)
C30—C34—C35—C40168.91 (15)C31—C30—Fe2—C27150.28 (9)
C33—C34—C35—C4011.2 (2)C34—C30—Fe2—C2790.33 (10)
Fe2—C34—C35—C40100.58 (14)C31—C30—Fe2—C28175.46 (12)
C30—C34—C35—C368.7 (2)C34—C30—Fe2—C2856.07 (15)
C33—C34—C35—C36171.26 (14)C34—C30—Fe2—C31119.39 (12)
Fe2—C34—C35—C3681.82 (17)C31—C30—Fe2—C3381.04 (9)
C40—C35—C36—C370.8 (2)C34—C30—Fe2—C3338.35 (8)
C34—C35—C36—C37176.83 (14)C31—C30—Fe2—C3237.35 (8)
C35—C36—C37—C380.5 (2)C34—C30—Fe2—C3282.04 (9)
C36—C37—C38—C390.1 (2)C27—C26—Fe2—C25117.50 (17)
C36—C37—C38—N3179.95 (14)C27—C26—Fe2—C30105.73 (12)
C37—C38—C39—C400.0 (2)C25—C26—Fe2—C30136.77 (11)
N3—C38—C39—C40179.89 (13)C27—C26—Fe2—C3465.67 (14)
C38—C39—C40—C350.3 (2)C25—C26—Fe2—C34176.83 (11)
C36—C35—C40—C390.7 (2)C25—C26—Fe2—C27117.50 (17)
C34—C35—C40—C39176.97 (14)C27—C26—Fe2—C2836.93 (12)
N3—C41—C42—C43174.09 (15)C25—C26—Fe2—C2880.57 (13)
N3—C41—C42—C465.2 (2)C27—C26—Fe2—C2980.00 (12)
C46—C42—C43—C442.5 (2)C25—C26—Fe2—C2937.50 (12)
C41—C42—C43—C44176.75 (14)C27—C26—Fe2—C31149.22 (11)
C42—C43—C44—N42.1 (2)C25—C26—Fe2—C3193.28 (12)
N4—C45—C46—C421.5 (2)C27—C26—Fe2—C32174.82 (13)
C43—C42—C46—C450.9 (2)C25—C26—Fe2—C3257.32 (18)
C41—C42—C46—C45178.41 (15)C33—C34—Fe2—C30118.40 (12)
C19—C18—N1—C14178.86 (13)C35—C34—Fe2—C30122.16 (16)
C15—C14—N1—C18167.87 (14)C30—C34—Fe2—C2667.64 (12)
C13—C14—N1—C1813.4 (2)C33—C34—Fe2—C26173.96 (10)
C23—C22—N2—C210.8 (2)C35—C34—Fe2—C2654.52 (16)
C20—C21—N2—C221.2 (2)C30—C34—Fe2—C27106.41 (10)
C42—C41—N3—C38179.76 (14)C33—C34—Fe2—C27135.20 (10)
C39—C38—N3—C41167.57 (14)C35—C34—Fe2—C2715.75 (15)
C37—C38—N3—C4112.6 (2)C30—C34—Fe2—C28148.60 (10)
C43—C44—N4—C450.2 (2)C33—C34—Fe2—C2893.00 (11)
C46—C45—N4—C442.0 (2)C35—C34—Fe2—C2826.44 (15)
C5—C4—Fe1—C7163.5 (2)C30—C34—Fe2—C29177.47 (11)
C3—C4—Fe1—C744.4 (3)C33—C34—Fe2—C2959.07 (14)
C5—C4—Fe1—C3119.04 (13)C35—C34—Fe2—C2960.37 (17)
C5—C4—Fe1—C984.63 (11)C30—C34—Fe2—C3137.46 (8)
C3—C4—Fe1—C9156.34 (9)C33—C34—Fe2—C3180.93 (9)
C5—C4—Fe1—C6167.50 (10)C35—C34—Fe2—C31159.62 (14)
C3—C4—Fe1—C673.47 (12)C30—C34—Fe2—C33118.40 (12)
C5—C4—Fe1—C10127.10 (10)C35—C34—Fe2—C33119.44 (16)
C3—C4—Fe1—C10113.87 (10)C30—C34—Fe2—C3281.12 (9)
C5—C4—Fe1—C281.41 (10)C33—C34—Fe2—C3237.28 (9)
C3—C4—Fe1—C237.63 (9)C35—C34—Fe2—C32156.72 (14)
C5—C4—Fe1—C852.12 (17)C28—C27—Fe2—C2580.39 (12)
C3—C4—Fe1—C8171.16 (12)C26—C27—Fe2—C2538.96 (12)
C3—C4—Fe1—C5119.04 (13)C28—C27—Fe2—C30149.55 (10)
C5—C4—Fe1—C137.62 (9)C26—C27—Fe2—C3091.10 (12)
C3—C4—Fe1—C181.42 (10)C28—C27—Fe2—C26119.35 (16)
C6—C7—Fe1—C437.3 (3)C28—C27—Fe2—C34105.65 (11)
C8—C7—Fe1—C4156.7 (2)C26—C27—Fe2—C34135.00 (11)
C6—C7—Fe1—C371.97 (12)C26—C27—Fe2—C28119.35 (16)
C8—C7—Fe1—C3168.64 (9)C28—C27—Fe2—C2936.94 (11)
C6—C7—Fe1—C981.47 (11)C26—C27—Fe2—C2982.41 (12)
C8—C7—Fe1—C937.93 (9)C28—C27—Fe2—C31175.25 (11)
C8—C7—Fe1—C6119.40 (14)C26—C27—Fe2—C3155.90 (16)
C6—C7—Fe1—C1037.46 (10)C28—C27—Fe2—C3366.46 (14)
C8—C7—Fe1—C1081.94 (10)C26—C27—Fe2—C33174.19 (11)
C6—C7—Fe1—C2113.50 (11)C27—C28—Fe2—C2582.62 (12)
C8—C7—Fe1—C2127.10 (9)C29—C28—Fe2—C2537.39 (11)
C6—C7—Fe1—C8119.40 (14)C27—C28—Fe2—C3053.52 (16)
C6—C7—Fe1—C5168.49 (15)C29—C28—Fe2—C30173.53 (11)
C8—C7—Fe1—C549.1 (2)C27—C28—Fe2—C2637.93 (11)
C6—C7—Fe1—C1156.28 (10)C29—C28—Fe2—C2682.08 (12)
C8—C7—Fe1—C184.32 (11)C27—C28—Fe2—C3490.21 (11)
C2—C3—Fe1—C4119.29 (12)C29—C28—Fe2—C34149.78 (10)
C2—C3—Fe1—C775.06 (11)C29—C28—Fe2—C27120.01 (15)
C4—C3—Fe1—C7165.65 (9)C27—C28—Fe2—C29120.01 (15)
C2—C3—Fe1—C9168.87 (12)C27—C28—Fe2—C33134.44 (10)
C4—C3—Fe1—C949.59 (16)C29—C28—Fe2—C33105.55 (11)
C2—C3—Fe1—C6115.43 (10)C27—C28—Fe2—C32173.41 (10)
C4—C3—Fe1—C6125.29 (10)C29—C28—Fe2—C3266.58 (14)
C2—C3—Fe1—C10158.00 (9)C28—C29—Fe2—C25119.48 (15)
C4—C3—Fe1—C1082.71 (10)C28—C29—Fe2—C2680.99 (12)
C4—C3—Fe1—C2119.29 (12)C25—C29—Fe2—C2638.48 (11)
C2—C3—Fe1—C845.6 (2)C28—C29—Fe2—C3452.92 (16)
C4—C3—Fe1—C8164.93 (19)C25—C29—Fe2—C34172.39 (10)
C2—C3—Fe1—C581.48 (9)C28—C29—Fe2—C2736.80 (11)
C4—C3—Fe1—C537.81 (9)C25—C29—Fe2—C2782.67 (11)
C2—C3—Fe1—C137.73 (9)C25—C29—Fe2—C28119.48 (15)
C4—C3—Fe1—C181.55 (9)C28—C29—Fe2—C31174.97 (11)
C10—C9—Fe1—C482.08 (10)C25—C29—Fe2—C3165.55 (13)
C8—C9—Fe1—C4158.67 (8)C28—C29—Fe2—C3391.36 (11)
C10—C9—Fe1—C781.44 (9)C25—C29—Fe2—C33149.16 (10)
C8—C9—Fe1—C737.81 (8)C28—C29—Fe2—C32135.32 (11)
C10—C9—Fe1—C347.65 (16)C25—C29—Fe2—C32105.20 (11)
C8—C9—Fe1—C3166.89 (11)C30—C31—Fe2—C25134.90 (10)
C10—C9—Fe1—C637.59 (9)C32—C31—Fe2—C25105.31 (10)
C8—C9—Fe1—C681.66 (9)C32—C31—Fe2—C30119.79 (12)
C8—C9—Fe1—C10119.25 (12)C30—C31—Fe2—C2690.33 (11)
C10—C9—Fe1—C2162.8 (2)C32—C31—Fe2—C26149.88 (10)
C8—C9—Fe1—C243.6 (3)C30—C31—Fe2—C3437.95 (8)
C10—C9—Fe1—C8119.25 (12)C32—C31—Fe2—C3481.84 (9)
C10—C9—Fe1—C5125.08 (9)C30—C31—Fe2—C2753.73 (14)
C8—C9—Fe1—C5115.67 (9)C32—C31—Fe2—C27173.53 (11)
C10—C9—Fe1—C1165.49 (9)C30—C31—Fe2—C29173.66 (10)
C8—C9—Fe1—C175.26 (10)C32—C31—Fe2—C2966.55 (12)
C7—C6—Fe1—C4167.76 (9)C30—C31—Fe2—C3382.27 (9)
C10—C6—Fe1—C472.49 (11)C32—C31—Fe2—C3337.52 (9)
C10—C6—Fe1—C7119.75 (13)C30—C31—Fe2—C32119.79 (12)
C7—C6—Fe1—C3126.86 (10)C32—C33—Fe2—C2557.84 (16)
C10—C6—Fe1—C3113.39 (9)C34—C33—Fe2—C25177.53 (12)
C7—C6—Fe1—C982.02 (10)C32—C33—Fe2—C3081.30 (10)
C10—C6—Fe1—C937.73 (9)C34—C33—Fe2—C3038.38 (9)
C7—C6—Fe1—C10119.75 (13)C32—C33—Fe2—C34119.69 (13)
C7—C6—Fe1—C284.58 (11)C32—C33—Fe2—C27174.50 (11)
C10—C6—Fe1—C2155.67 (9)C34—C33—Fe2—C2765.81 (13)
C7—C6—Fe1—C837.78 (10)C32—C33—Fe2—C28136.12 (11)
C10—C6—Fe1—C881.97 (10)C34—C33—Fe2—C28104.19 (10)
C7—C6—Fe1—C5162.8 (2)C32—C33—Fe2—C2993.35 (11)
C10—C6—Fe1—C543.1 (3)C34—C33—Fe2—C29146.96 (10)
C7—C6—Fe1—C152.60 (18)C32—C33—Fe2—C3137.54 (10)
C10—C6—Fe1—C1172.35 (13)C34—C33—Fe2—C3182.15 (10)
C6—C10—Fe1—C4125.89 (9)C34—C33—Fe2—C32119.69 (13)
C9—C10—Fe1—C4114.67 (9)C31—C32—Fe2—C2592.67 (11)
C6—C10—Fe1—C737.46 (9)C33—C32—Fe2—C25147.85 (11)
C9—C10—Fe1—C781.98 (9)C31—C32—Fe2—C3037.38 (9)
C6—C10—Fe1—C383.37 (10)C33—C32—Fe2—C3082.10 (10)
C9—C10—Fe1—C3157.19 (9)C31—C32—Fe2—C2654.88 (17)
C6—C10—Fe1—C9119.44 (13)C33—C32—Fe2—C26174.35 (13)
C9—C10—Fe1—C6119.44 (13)C31—C32—Fe2—C3481.71 (9)
C6—C10—Fe1—C251.40 (17)C33—C32—Fe2—C3437.77 (9)
C9—C10—Fe1—C2170.85 (12)C31—C32—Fe2—C28174.94 (10)
C6—C10—Fe1—C881.52 (9)C33—C32—Fe2—C2865.58 (13)
C9—C10—Fe1—C837.92 (9)C31—C32—Fe2—C29136.08 (10)
C6—C10—Fe1—C5165.95 (9)C33—C32—Fe2—C29104.44 (11)
C9—C10—Fe1—C574.60 (11)C33—C32—Fe2—C31119.47 (13)
C6—C10—Fe1—C1167.4 (2)C31—C32—Fe2—C33119.47 (13)
C9—C10—Fe1—C148.0 (3)
Acknowledgements top

The authors thank the University of KwaZulu-Natal and IBSA for financial support.

references
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