PMCCPMCCPMCC

Search tips
Search criteria 

Advanced

 
Logo of actaeInternational Union of Crystallographysearchopen accessarticle submissionjournal home pagethis article
 
Acta Crystallogr Sect E Struct Rep Online. 2008 June 1; 64(Pt 6): m814.
Published online 2008 May 17. doi:  10.1107/S1600536808014165
PMCID: PMC2961380

Tris[4-chloro-2-(2-furylmethyl­imino­meth­yl)phenolato-κ2 O 1,N]iron(III)

Abstract

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.

Related literature

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

An external file that holds a picture, illustration, etc.
Object name is e-64-0m814-scheme1.jpg

Experimental

Crystal data

  • [Fe(C12H9ClNO2)3]
  • M r = 759.81
  • Triclinic, An external file that holds a picture, illustration, etc.
Object name is e-64-0m814-efi1.jpg
  • a = 9.622 (2) Å
  • b = 11.542 (2) Å
  • c = 16.605 (3) Å
  • α = 103.00 (3)°
  • β = 102.81 (3)°
  • γ = 105.50 (3)°
  • V = 1651.7 (6) Å3
  • Z = 2
  • Mo Kα radiation
  • μ = 0.75 mm−1
  • T = 293 (2) K
  • 0.30 × 0.20 × 0.20 mm

Data collection

  • Bruker SMART 1000 CCD area-detector diffractometer
  • Absorption correction: multi-scan (SADABS; Bruker, 2000 [triangle]) T min = 0.806, T max = 0.864
  • 6546 measured reflections
  • 6150 independent reflections
  • 4172 reflections with I > 2σ(I)
  • R int = 0.030

Refinement

  • R[F 2 > 2σ(F 2)] = 0.052
  • wR(F 2) = 0.114
  • S = 1.05
  • 6150 reflections
  • 442 parameters
  • H-atom parameters constrained
  • Δρmax = 0.30 e Å−3
  • Δρmin = −0.29 e Å−3

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

Supplementary Material

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536808014165/sj2500sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808014165/sj2500Isup2.hkl

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

Acknowledgments

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

supplementary crystallographic information

Comment

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).

Experimental

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

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.

Figures

Fig. 1.
The structure of the complex with displacement parameters drawn at the 30% probability level. Hydrogen atoms have been omitted for clarity.

Crystal data

[Fe(C12H9Cl1N1O2)3]Z = 2
Mr = 759.81F000 = 778
Triclinic, P1Dx = 1.528 Mg m3
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 mm1
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

Bruker SMART 1000 CCD area-detector diffractometer6150 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

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 Å3
442 parametersΔρmin = −0.29 e Å3
Primary atom site location: structure-invariant direct methodsExtinction correction: none

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 (Å2)

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)

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, °)

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)

Footnotes

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: SJ2500).

References

  • Bruker (2000). SMART, SAINT and SADABS Bruker AXS Inc., Madison, Wisconsin, USA.
  • Chiari, B., Piovesana, O., Tarantelli, T. & Zanazzi, P. F. (1983). Inorg. Chem.22, 2781–2784.
  • Hernandez-Molina, R., Mederos, A., Dominguez, S., Gili, P., Ruiz-Perez, C., Castineiras, A., Solans, X., Lloret, F. & Real, J. A. (1998). Inorg. Chem.37, 5102–5108.
  • Li, Y.-G., Zhu, H.-L., Chen, X.-Z., Song, Y. & Huang, W.-Q. (2006). Synth. React. Inorg. Met.-Org. Nano-Met. Chem.36, 353–357.
  • Liu, Z.-D., Tan, M.-Y. & Zhu, H.-L. (2004). Acta Cryst. E60, m910–m911.
  • Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. [PubMed]
  • Yang, S.-P., Tong, Y.-X., Zhu, H.-L., Cao, H., Chen, X.-M. & Ji, L.-N. (2001). Polyhedron, 20, 223–229.
  • You, Z.-L., Tang, L.-L. & Zhu, H.-L. (2005). Acta Cryst. E61, m36–m38.
  • Zhang, J.-H., Xi, Y., Wang, C., Li, J., Zhang, F.-X. & Ng, S. W. (2005). Acta Cryst. E61, m2338–m2339.

Articles from Acta Crystallographica Section E: Structure Reports Online are provided here courtesy of International Union of Crystallography