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Acta Cryst. (2008). E64, m814    [ doi:10.1107/S1600536808014165 ]

Tris[4-chloro-2-(2-furylmethyliminomethyl)phenolato-[kappa]2O1,N]iron(III)

M.-Q. Feng, J. Li, W.-J. Wei and C.-H. Liu

Abstract top

The title complex, [Fe(C12H9ClNO2)3], is a mononuclear Schiff base iron(III) compound. The Fe atom is six-coordinated by three phenolic O and three imine N atoms from three Schiff base ligands in an octahedral geometry.

Comment top

Schiff base iron(III) complexes have been widely investigated due to their versatile structures and properties (Li et al., 2006; Liu et al., 2004; Yang et al., 2001; Chiari et al., 1983). We report herein the crystal structure of the title complex (I), Fig 1.

The title complex is a mononuclear Schiff base iron(III) compound. The Fe atom is six-coordinated by three phenolic O and three imine N atoms from three Schiff base ligands, in an octahedral geometry. All the coordinate bond values (Table 1) are typical and comparable with those observed in other similar Schiff base iron(III) complexes (You et al., 2005; Hernandez-Molina et al., 1998; Zhang et al., 2005).

Related literature top

For related structures see Chiari et al. (1983); Hernandez-Molina et al. (1998); Li et al. (2006); Liu et al. (2004); Yang et al. (2001); You et al. (2005); Zhang et al. (2005).

Experimental top

5-Chlorosalicylaldehyde (0.3 mmol, 46.8 mg), furan-2-ylmethylamine (0.3 mmol, 29.1 mg) and FeCl3 (0.1 mmol, 16.2 mg) were dissolved in a methanol solution (30 ml). The mixture was stirred at room temperature for 30 min to give a deep brown solution. After keeping the solution in air for a few days, deep brown crystals were formed.

Refinement top

H atoms were positioned geometrically and refined using a riding model with d(C—H) = 0.93–0.97 Å, Uiso = 1.2Ueq(C) for aromatic, 0.97 Å, Uiso = 1.2Ueq (C) for CH2.

Computing details top

Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 2000); data reduction: SAINT (Bruker, 2000); program(s) used to solve structure: SHELXTL (Sheldrick, 2008); program(s) used to refine structure: SHELXTL (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Figures top
[Figure 1] Fig. 1. The structure of the complex with displacement parameters drawn at the 30% probability level. Hydrogen atoms have been omitted for clarity.
Tris[4-chloro-2-(2-furylmethyliminomethyl)phenolato-κ2O1,N]iron(III) top
Crystal data top
[Fe(C12H9Cl1N1O2)3]Z = 2
Mr = 759.81F000 = 778
Triclinic, P1Dx = 1.528 Mg m−3
a = 9.622 (2) ÅMo Kα radiation
λ = 0.71073 Å
b = 11.542 (2) ÅCell parameters from 2732 reflections
c = 16.605 (3) Åθ = 2.3–25.1º
α = 103.00 (3)ºµ = 0.75 mm−1
β = 102.81 (3)ºT = 293 (2) K
γ = 105.50 (3)ºBlock, brown
V = 1651.7 (6) Å30.30 × 0.20 × 0.20 mm
Data collection top
Bruker SMART 1000 CCD area-detector
diffractometer		6150 independent reflections
Radiation source: fine-focus sealed tube4172 reflections with I > 2σ(I)
Monochromator: graphiteRint = 0.030
T = 293(2) Kθmax = 25.5º
ω scansθmin = 1.3º
Absorption correction: multi-scan
(SADABS; Bruker, 2000)		h = −11→0
Tmin = 0.806, Tmax = 0.864k = −13→13
6546 measured reflectionsl = −19→20
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)] = 0.052H-atom parameters constrained
wR(F2) = 0.114  w = 1/[σ2(Fo2) + (0.0309P)2 + 1.247P]
where P = (Fo2 + 2Fc2)/3
S = 1.05(Δ/σ)max < 0.001
6150 reflectionsΔρmax = 0.30 e Å−3
442 parametersΔρmin = −0.29 e Å−3
Primary atom site location: structure-invariant direct methodsExtinction correction: none
Crystal data top
[Fe(C12H9Cl1N1O2)3]γ = 105.50 (3)º
Mr = 759.81V = 1651.7 (6) Å3
Triclinic, P1Z = 2
a = 9.622 (2) ÅMo Kα
b = 11.542 (2) ŵ = 0.75 mm−1
c = 16.605 (3) ÅT = 293 (2) K
α = 103.00 (3)º0.30 × 0.20 × 0.20 mm
β = 102.81 (3)º
Data collection top
Bruker SMART 1000 CCD area-detector
diffractometer		6150 independent reflections
Absorption correction: multi-scan
(SADABS; Bruker, 2000)		4172 reflections with I > 2σ(I)
Tmin = 0.806, Tmax = 0.864Rint = 0.030
6546 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.052442 parameters
wR(F2) = 0.114H-atom parameters constrained
S = 1.05Δρmax = 0.30 e Å−3
6150 reflectionsΔρmin = −0.29 e Å−3
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
C10.8963 (4)0.8886 (4)0.7319 (3)0.0377 (10)
C20.8341 (4)0.7860 (4)0.6545 (2)0.0332 (9)
C30.8877 (4)0.8012 (4)0.5837 (3)0.0408 (10)
H30.85270.73390.53310.049*
C40.9901 (5)0.9125 (4)0.5874 (3)0.0451 (11)
H41.02310.92010.53970.054*
C51.0444 (5)1.0139 (4)0.6628 (3)0.0461 (11)
C61.0023 (5)1.0026 (4)0.7347 (3)0.0450 (11)
H61.04321.06970.78550.054*
C70.8729 (5)0.8727 (4)0.8115 (3)0.0407 (10)
H70.93760.93400.86240.049*
C80.7906 (5)0.7713 (4)0.9083 (3)0.0477 (11)
H8A0.72020.69160.90540.057*
H8B0.76560.83830.94240.057*
C90.9470 (5)0.7789 (4)0.9530 (3)0.0497 (12)
C101.0404 (6)0.7212 (5)0.9308 (3)0.0724 (16)
H101.02120.65980.87890.087*
C111.1762 (6)0.7712 (5)1.0016 (4)0.0723 (16)
H111.26290.74901.00480.087*
C121.1551 (7)0.8537 (6)1.0606 (4)0.090 (2)
H121.22580.90071.11410.108*
C130.4529 (5)0.8389 (4)0.8092 (3)0.0394 (10)
C140.5093 (4)0.8639 (4)0.7410 (3)0.0345 (9)
C150.5156 (5)0.9808 (4)0.7261 (3)0.0452 (11)
H150.54750.99850.67990.054*
C160.4755 (5)1.0691 (4)0.7783 (3)0.0524 (12)
H160.48181.14590.76770.063*
C170.4261 (5)1.0431 (4)0.8460 (3)0.0512 (12)
C180.4107 (5)0.9310 (4)0.8610 (3)0.0494 (12)
H180.37240.91400.90540.059*
C190.4201 (5)0.7158 (4)0.8207 (3)0.0415 (10)
H190.35760.69700.85480.050*
C200.4115 (5)0.5014 (4)0.7962 (3)0.0482 (11)
H20A0.35050.44440.73920.058*
H20B0.49700.47400.81460.058*
C210.3201 (5)0.4868 (4)0.8563 (3)0.0472 (11)
C220.1753 (6)0.4256 (5)0.8454 (4)0.0735 (16)
H220.10040.38350.79260.088*
C230.1561 (8)0.4358 (6)0.9274 (4)0.086 (2)
H230.06670.40290.93970.103*
C240.2883 (8)0.5005 (7)0.9830 (4)0.087 (2)
H240.30850.51921.04270.104*
C250.5834 (4)0.3675 (3)0.6264 (3)0.0347 (9)
C260.6809 (4)0.4270 (4)0.7118 (3)0.0345 (9)
C270.7674 (4)0.3602 (4)0.7489 (3)0.0428 (10)
H270.82470.39360.80700.051*
C280.7684 (5)0.2470 (4)0.7012 (3)0.0454 (11)
H280.82710.20510.72670.054*
C290.6820 (5)0.1950 (4)0.6148 (3)0.0436 (11)
C300.5872 (4)0.2511 (4)0.5786 (3)0.0387 (10)
H300.52460.21250.52180.046*
C310.4788 (4)0.4211 (4)0.5857 (3)0.0341 (9)
H310.41300.37210.53110.041*
C320.3452 (4)0.5605 (4)0.5631 (2)0.0339 (9)
H32A0.38540.64650.56210.041*
H32B0.31280.50540.50400.041*
C330.2134 (4)0.5477 (4)0.5959 (3)0.0372 (10)
C340.1434 (5)0.6272 (5)0.6248 (3)0.0555 (13)
H340.17250.71330.63190.067*
C350.0168 (6)0.5541 (6)0.6421 (3)0.0671 (15)
H35−0.05250.58340.66400.080*
C360.0153 (6)0.4367 (6)0.6216 (3)0.0676 (15)
H36−0.05840.36890.62540.081*
Cl11.16738 (17)1.15609 (12)0.66343 (9)0.0758 (4)
Cl20.38023 (18)1.15945 (13)0.91252 (10)0.0792 (5)
Cl30.69996 (15)0.05941 (11)0.55247 (9)0.0668 (4)
Fe10.61221 (6)0.65594 (5)0.72051 (3)0.02604 (14)
N10.7708 (4)0.7817 (3)0.8190 (2)0.0370 (8)
N20.4705 (4)0.6291 (3)0.7876 (2)0.0351 (8)
N30.4665 (3)0.5287 (3)0.61637 (19)0.0295 (7)
O10.7387 (3)0.6767 (2)0.64791 (16)0.0370 (7)
O21.0136 (4)0.8618 (3)1.0329 (2)0.0808 (12)
O30.5480 (3)0.7841 (2)0.68880 (17)0.0358 (6)
O40.3940 (4)0.5377 (4)0.9423 (2)0.0744 (11)
O50.6944 (3)0.5392 (2)0.75910 (17)0.0394 (7)
O60.1379 (3)0.4282 (3)0.5938 (2)0.0537 (8)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
C10.036 (2)0.034 (2)0.038 (2)0.0084 (19)0.0110 (19)0.0072 (19)
C20.031 (2)0.032 (2)0.036 (2)0.0112 (18)0.0114 (18)0.0072 (18)
C30.038 (2)0.040 (2)0.040 (3)0.009 (2)0.017 (2)0.004 (2)
C40.044 (3)0.045 (3)0.048 (3)0.011 (2)0.019 (2)0.018 (2)
C50.043 (3)0.036 (2)0.053 (3)0.003 (2)0.011 (2)0.018 (2)
C60.047 (3)0.037 (2)0.039 (3)0.006 (2)0.008 (2)0.002 (2)
C70.044 (3)0.034 (2)0.032 (2)0.008 (2)0.006 (2)−0.0016 (18)
C80.050 (3)0.055 (3)0.035 (2)0.017 (2)0.012 (2)0.009 (2)
C90.051 (3)0.053 (3)0.036 (3)0.014 (2)0.007 (2)0.006 (2)
C100.075 (4)0.087 (4)0.056 (3)0.037 (3)0.020 (3)0.008 (3)
C110.061 (4)0.085 (4)0.081 (4)0.040 (3)0.017 (3)0.028 (3)
C120.063 (4)0.100 (5)0.075 (4)0.037 (4)−0.016 (3)−0.009 (4)
C130.039 (2)0.039 (2)0.045 (3)0.0142 (19)0.020 (2)0.012 (2)
C140.030 (2)0.034 (2)0.037 (2)0.0075 (18)0.0092 (18)0.0103 (19)
C150.057 (3)0.037 (2)0.049 (3)0.018 (2)0.023 (2)0.017 (2)
C160.063 (3)0.037 (3)0.059 (3)0.022 (2)0.021 (3)0.009 (2)
C170.055 (3)0.045 (3)0.054 (3)0.025 (2)0.020 (2)0.004 (2)
C180.055 (3)0.055 (3)0.048 (3)0.029 (2)0.025 (2)0.012 (2)
C190.044 (3)0.049 (3)0.037 (2)0.016 (2)0.021 (2)0.014 (2)
C200.054 (3)0.044 (3)0.054 (3)0.014 (2)0.025 (2)0.022 (2)
C210.053 (3)0.052 (3)0.045 (3)0.021 (2)0.018 (2)0.023 (2)
C220.058 (4)0.085 (4)0.074 (4)0.006 (3)0.026 (3)0.031 (3)
C230.078 (4)0.119 (6)0.104 (5)0.043 (4)0.058 (4)0.074 (5)
C240.107 (5)0.141 (6)0.074 (4)0.079 (5)0.058 (4)0.075 (4)
C250.031 (2)0.029 (2)0.042 (2)0.0057 (17)0.0120 (19)0.0102 (18)
C260.027 (2)0.032 (2)0.046 (3)0.0076 (18)0.0144 (19)0.0141 (19)
C270.035 (2)0.045 (3)0.049 (3)0.012 (2)0.011 (2)0.020 (2)
C280.036 (2)0.043 (3)0.067 (3)0.021 (2)0.017 (2)0.026 (2)
C290.038 (2)0.031 (2)0.063 (3)0.0100 (19)0.023 (2)0.010 (2)
C300.035 (2)0.031 (2)0.047 (3)0.0074 (19)0.014 (2)0.010 (2)
C310.030 (2)0.032 (2)0.032 (2)0.0019 (17)0.0099 (18)0.0056 (18)
C320.033 (2)0.038 (2)0.032 (2)0.0120 (18)0.0106 (18)0.0110 (18)
C330.035 (2)0.041 (2)0.034 (2)0.0121 (19)0.0076 (19)0.0122 (19)
C340.049 (3)0.053 (3)0.070 (3)0.029 (2)0.017 (3)0.015 (3)
C350.053 (3)0.094 (4)0.073 (4)0.040 (3)0.033 (3)0.027 (3)
C360.045 (3)0.093 (4)0.077 (4)0.019 (3)0.034 (3)0.037 (3)
Cl10.0852 (10)0.0462 (7)0.0765 (10)−0.0099 (7)0.0222 (8)0.0222 (7)
Cl20.0968 (11)0.0659 (9)0.0840 (10)0.0482 (8)0.0408 (9)0.0015 (7)
Cl30.0663 (8)0.0420 (7)0.0972 (11)0.0285 (6)0.0331 (8)0.0098 (7)
Fe10.0258 (3)0.0256 (3)0.0263 (3)0.0081 (2)0.0099 (2)0.0055 (2)
N10.041 (2)0.0364 (19)0.0294 (19)0.0086 (16)0.0126 (16)0.0050 (15)
N20.0360 (19)0.0362 (19)0.0355 (19)0.0126 (16)0.0135 (16)0.0119 (16)
N30.0255 (17)0.0315 (18)0.0330 (18)0.0096 (14)0.0117 (14)0.0094 (15)
O10.0350 (15)0.0317 (15)0.0401 (16)0.0045 (12)0.0196 (13)0.0024 (13)
O20.075 (3)0.084 (3)0.055 (2)0.039 (2)−0.012 (2)−0.0175 (19)
O30.0424 (16)0.0338 (15)0.0377 (16)0.0161 (13)0.0203 (13)0.0109 (13)
O40.066 (2)0.115 (3)0.053 (2)0.030 (2)0.0212 (19)0.043 (2)
O50.0408 (16)0.0350 (16)0.0375 (16)0.0144 (13)0.0053 (13)0.0059 (13)
O60.0452 (18)0.0497 (19)0.073 (2)0.0140 (15)0.0318 (17)0.0198 (17)
Geometric parameters (Å, °) top
C1—C21.416 (5)C20—H20A0.9700
C1—C61.417 (5)C20—H20B0.9700
C1—C71.433 (5)C21—C221.333 (6)
C2—O11.312 (4)C21—O41.356 (5)
C2—C31.412 (5)C22—C231.398 (7)
C3—C41.373 (5)C22—H220.9300
C3—H30.9300C23—C241.299 (8)
C4—C51.390 (6)C23—H230.9300
C4—H40.9300C24—O41.371 (6)
C5—C61.364 (6)C24—H240.9300
C5—Cl11.744 (4)C25—C261.411 (5)
C6—H60.9300C25—C301.412 (5)
C7—N11.283 (5)C25—C311.440 (5)
C7—H70.9300C26—O51.311 (4)
C8—N11.488 (5)C26—C271.412 (5)
C8—C91.493 (6)C27—C281.371 (6)
C8—H8A0.9700C27—H270.9300
C8—H8B0.9700C28—C291.387 (6)
C9—C101.320 (6)C28—H280.9300
C9—O21.345 (5)C29—C301.365 (6)
C10—C111.426 (7)C29—Cl31.746 (4)
C10—H100.9300C30—H300.9300
C11—C121.296 (7)C31—N31.280 (5)
C11—H110.9300C31—H310.9300
C12—O21.373 (6)C32—C331.473 (5)
C12—H120.9300C32—N31.482 (5)
C13—C141.413 (5)C32—H32A0.9700
C13—C181.417 (5)C32—H32B0.9700
C13—C191.437 (5)C33—C341.342 (6)
C14—O31.306 (4)C33—O61.366 (5)
C14—C151.413 (5)C34—C351.412 (7)
C15—C161.378 (6)C34—H340.9300
C15—H150.9300C35—C361.315 (7)
C16—C171.376 (6)C35—H350.9300
C16—H160.9300C36—O61.377 (5)
C17—C181.349 (6)C36—H360.9300
C17—Cl21.756 (4)Fe1—O31.882 (3)
C18—H180.9300Fe1—O51.894 (3)
C19—N21.291 (5)Fe1—O11.902 (3)
C19—H190.9300Fe1—N11.937 (3)
C20—C211.477 (6)Fe1—N31.948 (3)
C20—N21.482 (5)Fe1—N21.950 (3)
C2—C1—C6120.1 (4)C22—C23—H23126.9
C2—C1—C7120.7 (4)C23—C24—O4111.3 (5)
C6—C1—C7118.5 (4)C23—C24—H24124.3
O1—C2—C3119.2 (3)O4—C24—H24124.3
O1—C2—C1123.4 (3)C26—C25—C30119.5 (4)
C3—C2—C1117.2 (4)C26—C25—C31122.3 (3)
C4—C3—C2121.9 (4)C30—C25—C31118.2 (4)
C4—C3—H3119.0O5—C26—C25124.1 (4)
C2—C3—H3119.0O5—C26—C27118.1 (4)
C3—C4—C5119.8 (4)C25—C26—C27117.7 (4)
C3—C4—H4120.1C28—C27—C26121.3 (4)
C5—C4—H4120.1C28—C27—H27119.3
C6—C5—C4120.8 (4)C26—C27—H27119.3
C6—C5—Cl1120.7 (3)C27—C28—C29120.1 (4)
C4—C5—Cl1118.5 (3)C27—C28—H28120.0
C5—C6—C1120.1 (4)C29—C28—H28120.0
C5—C6—H6120.0C30—C29—C28120.4 (4)
C1—C6—H6120.0C30—C29—Cl3120.4 (4)
N1—C7—C1126.0 (4)C28—C29—Cl3119.2 (3)
N1—C7—H7117.0C29—C30—C25120.6 (4)
C1—C7—H7117.0C29—C30—H30119.7
N1—C8—C9113.5 (4)C25—C30—H30119.7
N1—C8—H8A108.9N3—C31—C25127.1 (4)
C9—C8—H8A108.9N3—C31—H31116.5
N1—C8—H8B108.9C25—C31—H31116.5
C9—C8—H8B108.9C33—C32—N3112.6 (3)
H8A—C8—H8B107.7C33—C32—H32A109.1
C10—C9—O2109.8 (4)N3—C32—H32A109.1
C10—C9—C8133.6 (4)C33—C32—H32B109.1
O2—C9—C8116.6 (4)N3—C32—H32B109.1
C9—C10—C11106.9 (5)H32A—C32—H32B107.8
C9—C10—H10126.5C34—C33—O6110.3 (4)
C11—C10—H10126.5C34—C33—C32134.5 (4)
C12—C11—C10106.5 (5)O6—C33—C32115.2 (3)
C12—C11—H11126.8C33—C34—C35106.4 (4)
C10—C11—H11126.8C33—C34—H34126.8
C11—C12—O2110.4 (5)C35—C34—H34126.8
C11—C12—H12124.8C36—C35—C34107.3 (4)
O2—C12—H12124.8C36—C35—H35126.4
C14—C13—C18120.0 (4)C34—C35—H35126.4
C14—C13—C19120.9 (4)C35—C36—O6110.7 (5)
C18—C13—C19118.7 (4)C35—C36—H36124.7
O3—C14—C13124.4 (4)O6—C36—H36124.7
O3—C14—C15118.5 (4)O3—Fe1—O5174.53 (12)
C13—C14—C15117.0 (4)O3—Fe1—O186.76 (11)
C16—C15—C14121.6 (4)O5—Fe1—O191.70 (12)
C16—C15—H15119.2O3—Fe1—N189.84 (13)
C14—C15—H15119.2O5—Fe1—N184.94 (13)
C17—C16—C15119.7 (4)O1—Fe1—N191.02 (13)
C17—C16—H16120.1O3—Fe1—N391.31 (12)
C15—C16—H16120.1O5—Fe1—N393.76 (12)
C18—C17—C16121.5 (4)O1—Fe1—N384.11 (12)
C18—C17—Cl2120.2 (4)N1—Fe1—N3174.93 (13)
C16—C17—Cl2118.3 (4)O3—Fe1—N292.00 (13)
C17—C18—C13120.1 (4)O5—Fe1—N289.87 (13)
C17—C18—H18120.0O1—Fe1—N2175.99 (13)
C13—C18—H18120.0N1—Fe1—N292.79 (14)
N2—C19—C13125.3 (4)N3—Fe1—N292.11 (13)
N2—C19—H19117.3C7—N1—C8115.3 (3)
C13—C19—H19117.3C7—N1—Fe1122.9 (3)
C21—C20—N2117.4 (4)C8—N1—Fe1121.5 (3)
C21—C20—H20A107.9C19—N2—C20118.9 (3)
N2—C20—H20A107.9C19—N2—Fe1122.7 (3)
C21—C20—H20B107.9C20—N2—Fe1118.3 (3)
N2—C20—H20B107.9C31—N3—C32116.8 (3)
H20A—C20—H20B107.2C31—N3—Fe1123.0 (3)
C22—C21—O4109.0 (4)C32—N3—Fe1119.8 (2)
C22—C21—C20133.7 (5)C2—O1—Fe1123.3 (2)
O4—C21—C20117.1 (4)C9—O2—C12106.5 (4)
C21—C22—C23107.9 (5)C14—O3—Fe1122.8 (2)
C21—C22—H22126.1C21—O4—C24105.5 (4)
C23—C22—H22126.1C26—O5—Fe1126.4 (3)
C24—C23—C22106.2 (5)C33—O6—C36105.4 (4)
C24—C23—H23126.9
C6—C1—C2—O1178.1 (4)O5—Fe1—N1—C7119.8 (3)
C7—C1—C2—O18.2 (6)O1—Fe1—N1—C728.2 (3)
C6—C1—C2—C33.0 (6)N3—Fe1—N1—C744.5 (17)
C7—C1—C2—C3−166.9 (4)N2—Fe1—N1—C7−150.6 (3)
O1—C2—C3—C4−178.6 (4)O3—Fe1—N1—C8127.6 (3)
C1—C2—C3—C4−3.3 (6)O5—Fe1—N1—C8−54.0 (3)
C2—C3—C4—C50.4 (7)O1—Fe1—N1—C8−145.6 (3)
C3—C4—C5—C62.9 (7)N3—Fe1—N1—C8−129.3 (15)
C3—C4—C5—Cl1−177.0 (3)N2—Fe1—N1—C835.6 (3)
C4—C5—C6—C1−3.2 (7)C13—C19—N2—C20−172.4 (4)
Cl1—C5—C6—C1176.8 (3)C13—C19—N2—Fe13.8 (6)
C2—C1—C6—C50.1 (6)C21—C20—N2—C19−11.3 (6)
C7—C1—C6—C5170.3 (4)C21—C20—N2—Fe1172.3 (3)
C2—C1—C7—N1−17.6 (7)O3—Fe1—N2—C19−25.3 (3)
C6—C1—C7—N1172.3 (4)O5—Fe1—N2—C19149.5 (3)
N1—C8—C9—C10−49.9 (8)O1—Fe1—N2—C19−97.2 (18)
N1—C8—C9—O2129.2 (4)N1—Fe1—N2—C1964.6 (3)
O2—C9—C10—C11−0.1 (6)N3—Fe1—N2—C19−116.7 (3)
C8—C9—C10—C11179.0 (5)O3—Fe1—N2—C20150.9 (3)
C9—C10—C11—C120.3 (7)O5—Fe1—N2—C20−34.2 (3)
C10—C11—C12—O2−0.3 (8)O1—Fe1—N2—C2079.0 (19)
C18—C13—C14—O3−178.5 (4)N1—Fe1—N2—C20−119.2 (3)
C19—C13—C14—O3−6.1 (6)N3—Fe1—N2—C2059.5 (3)
C18—C13—C14—C15−2.2 (6)C25—C31—N3—C32−177.7 (3)
C19—C13—C14—C15170.2 (4)C25—C31—N3—Fe19.8 (5)
O3—C14—C15—C16179.6 (4)C33—C32—N3—C31103.3 (4)
C13—C14—C15—C163.1 (6)C33—C32—N3—Fe1−83.9 (4)
C14—C15—C16—C17−0.9 (7)O3—Fe1—N3—C31160.0 (3)
C15—C16—C17—C18−2.3 (7)O5—Fe1—N3—C31−18.0 (3)
C15—C16—C17—Cl2178.6 (4)O1—Fe1—N3—C3173.4 (3)
C16—C17—C18—C133.2 (7)N1—Fe1—N3—C3157.0 (17)
Cl2—C17—C18—C13−177.7 (3)N2—Fe1—N3—C31−108.0 (3)
C14—C13—C18—C17−0.8 (7)O3—Fe1—N3—C32−12.4 (3)
C19—C13—C18—C17−173.4 (4)O5—Fe1—N3—C32169.7 (3)
C14—C13—C19—N218.0 (7)O1—Fe1—N3—C32−99.0 (3)
C18—C13—C19—N2−169.5 (4)N1—Fe1—N3—C32−115.3 (16)
N2—C20—C21—C22113.5 (6)N2—Fe1—N3—C3279.7 (3)
N2—C20—C21—O4−71.4 (5)C3—C2—O1—Fe1−160.3 (3)
O4—C21—C22—C23−1.0 (6)C1—C2—O1—Fe124.7 (5)
C20—C21—C22—C23174.4 (5)O3—Fe1—O1—C252.8 (3)
C21—C22—C23—C24−0.6 (7)O5—Fe1—O1—C2−122.0 (3)
C22—C23—C24—O42.0 (8)N1—Fe1—O1—C2−37.0 (3)
C30—C25—C26—O5174.6 (3)N3—Fe1—O1—C2144.4 (3)
C31—C25—C26—O5−5.6 (6)N2—Fe1—O1—C2124.9 (18)
C30—C25—C26—C27−6.6 (5)C10—C9—O2—C12−0.1 (6)
C31—C25—C26—C27173.3 (3)C8—C9—O2—C12−179.4 (5)
O5—C26—C27—C28−174.7 (4)C11—C12—O2—C90.3 (7)
C25—C26—C27—C286.4 (6)C13—C14—O3—Fe1−26.3 (5)
C26—C27—C28—C29−0.9 (6)C15—C14—O3—Fe1157.5 (3)
C27—C28—C29—C30−4.7 (6)O5—Fe1—O3—C14−73.8 (13)
C27—C28—C29—Cl3173.5 (3)O1—Fe1—O3—C14−147.6 (3)
C28—C29—C30—C254.4 (6)N1—Fe1—O3—C14−56.5 (3)
Cl3—C29—C30—C25−173.7 (3)N3—Fe1—O3—C14128.4 (3)
C26—C25—C30—C291.3 (6)N2—Fe1—O3—C1436.2 (3)
C31—C25—C30—C29−178.5 (4)C22—C21—O4—C242.1 (6)
C26—C25—C31—N35.2 (6)C20—C21—O4—C24−174.1 (4)
C30—C25—C31—N3−174.9 (4)C23—C24—O4—C21−2.6 (7)
N3—C32—C33—C34119.8 (5)C25—C26—O5—Fe1−9.7 (5)
N3—C32—C33—O6−64.0 (4)C27—C26—O5—Fe1171.4 (3)
O6—C33—C34—C350.1 (5)O3—Fe1—O5—C26−139.4 (12)
C32—C33—C34—C35176.5 (4)O1—Fe1—O5—C26−65.9 (3)
C33—C34—C35—C36−1.2 (6)N1—Fe1—O5—C26−156.7 (3)
C34—C35—C36—O61.9 (6)N3—Fe1—O5—C2618.3 (3)
C1—C7—N1—C8167.1 (4)N2—Fe1—O5—C26110.4 (3)
C1—C7—N1—Fe1−7.1 (6)C34—C33—O6—C361.0 (5)
C9—C8—N1—C7−47.8 (5)C32—C33—O6—C36−176.2 (4)
C9—C8—N1—Fe1126.5 (3)C35—C36—O6—C33−1.8 (6)
O3—Fe1—N1—C7−58.6 (3)
Acknowledgements top

This project is supported by a research grant from Dalian Medical University.

references
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