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Acta Crystallogr Sect E Struct Rep Online. 2009 July 1; 65(Pt 7): m830.
Published online 2009 June 27. doi:  10.1107/S1600536809023939
PMCID: PMC2969299

(4′-Ferrocenyl-2,2′:6′,2′′-terpyridine-κ3 N 1,N 1′,N 1′′)(1,10-phenanthroline-κ2 N,N′)zinc(II) bis­(perchlorate) acetonitrile monosolvate

Abstract

In the title complex, [FeZn(C5H5)(C20H14N3)(C12H8N2)](ClO4)2·CH3CN, the ZnII atom is five-coordinated by a tridentate chelating 4′-ferrocenyl-2,2′:6′,2′′-terpyridine (fctpy) ligand and a bidentate chelating 1,10-phenanthroline (phen) ligand in a distorted square-pyramidal environment with a phen N atom located at the apical position [Zn—N = 2.259 (4) Å]. The terpyridyl motif in each fctpy ligand is coplanar, but the cyclo­penta­dienyl ring is twisted by 9.5 (2)° out of coplanarity with each central pyridine. The two cyclo­penta­dienyl rings of the ferrocenyl group are almost eclipsed with a deviation of 4.5 (1)°. In addition, inter­molecular π–π inter­actions [centroid–centroid distance 3.753 (2) Å] are present between the cyclo­penta­dienyl and outer pyridyl rings of the fctpy ligands. One of the perchlorate anions is equally disordered over two positions.

Related literature

For general background, see: Andres & Schubert (2004 [triangle]); Barigelletti & Flamigni (2000 [triangle]); Constable (2007 [triangle]). For related complexes of the fctpy ligand, see: Aguado et al. (2005 [triangle]); Constable et al. (1994 [triangle]); Farlow et al. (1993 [triangle]); Tang & Kuang (2007 [triangle]).

An external file that holds a picture, illustration, etc.
Object name is e-65-0m830-scheme1.jpg

Experimental

Crystal data

  • [FeZn(C5H5)(C20H14N3)(C12H8N2)](ClO4)2·C2H3N
  • M r = 902.81
  • Monoclinic, An external file that holds a picture, illustration, etc.
Object name is e-65-0m830-efi1.jpg
  • a = 13.5426 (12) Å
  • b = 12.0901 (10) Å
  • c = 23.159 (2) Å
  • β = 97.739 (2)°
  • V = 3757.3 (6) Å3
  • Z = 4
  • Mo Kα radiation
  • μ = 1.23 mm−1
  • T = 295 K
  • 0.20 × 0.18 × 0.14 mm

Data collection

  • Bruker SMART APEX area-detector diffractometer
  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996 [triangle]) T min = 0.791, T max = 0.847
  • 18927 measured reflections
  • 7351 independent reflections
  • 4504 reflections with I > 2σ(I)
  • R int = 0.042

Refinement

  • R[F 2 > 2σ(F 2)] = 0.063
  • wR(F 2) = 0.189
  • S = 1.02
  • 7351 reflections
  • 552 parameters
  • 76 restraints
  • H-atom parameters constrained
  • Δρmax = 0.69 e Å−3
  • Δρmin = −0.39 e Å−3

Data collection: SMART (Bruker, 2002 [triangle]); cell refinement: SAINT (Bruker, 2002 [triangle]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 [triangle]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 [triangle]); molecular graphics: SHELXTL (Sheldrick, 2008 [triangle]); software used to prepare material for publication: SHELXTL.

Supplementary Material

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536809023939/jh2081sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809023939/jh2081Isup2.hkl

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

Acknowledgments

We thank the Construct Program of Key Disciplines in Hunan Province for supporting this study.

supplementary crystallographic information

Comment

The derivates of 2,2':6',2''-terpyridine (tpy) ligand have attracted wide interests of the chemists because of their good chelating abilities towards transition metal ions, and some of its complexes exhibits potential applications as luminescent devices (Andres & Schubert, 2004; Barigelletti & Flamigni, 2000; Constable, 2007). We and other groups have studied the structures and electrochemical properties of 4'-ferrocenyl-2,2':6',2''- terpyridine (fctpy) and its AuI, RuII, CoII, FeII and CuII complexes (Aguado et al., 2005; Constable et al., 1994; Farlow et al., 1993, Tang & Kuang, 2007). A new mixed-ligand complex, incorporating fctpy and 1,10-phenanthroline (phen) ligands is here presented.

In the title complex, the Zn (II) atom is five-coordinated by three N atoms from the fctpy ligand and two N atoms from the phen ligand, displaying a distorted square pyramidal geometry, as shown in Fig. 1. The apex of the pyramid is occupied by the N5 atom from the phen ligand with a longer Zn—N distance of 2.259 (4) Å than those in the basal plane [Zn—N distances within the range 1.925 (4)-2.057 (4) Å]. The angles subtended at Zn(1) by the terpyridyl motif are 79.61 (16) and 80.30 (15) °, respectively. The terpyridyl motif in each fctpy is fairly coplanar [interplanar dihedral angles 6.7 (2) and 6.3 (2) °], but the cyclopentadienyl ring tilts slightly from its attaching central pyridyl ring of 9.5 (2) °. The two cyclopentadienyl rings of the ferrocenyl group are almost eclipsed with a stagger of 4.5 (1) °, which is smaller than the corresponding value in the similar compound of the title compound (Tang & Kuang, 2007).

In the crystal packing, the cyclopentadienyl rings attached to the central pyridyl ring and the neighboring outer N3-pyridyl rings of the fctpy ligands are involved in intermolecular π–π interactions with the centroid-to-centroid distances of 3.753 (2) Å

Experimental

A solution of zinc perchlorates hexahydrate (18.6 mg, 0.05 mmol), fctpy (21.0 mg, 0.05 mmol) and 1,10-phenanthroline (9.9 mg, 0.05 mmol) in methanol (10 ml) was stirred for 4 h. The product was filtered off and dried. The precipitate was recrystallized from acetonitrile (5 ml) to give dark-red block-shaped crystals of the title complex after one week. Yield: 20 mg (44%).

Refinement

One of the perchlorate anions is two-fold disordered and refined with constraints. The carbon-bound H atoms were placed at calculated positions (C—H = 0.93 Å) and refined as riding, with U(H) = 1.2Ueq(C) for phenyl and cyclopentadienyl H atoms, and C—H = 0.96 Å and Uiso = 1.5Ueq (C) for methyl H atoms.

Figures

Fig. 1.
The title molecule with displacement ellipsoids drawn at the 30% probability level, and the H atoms are omitted for clarity.

Crystal data

[FeZn(C5H5)(C20H14N3)(C12H8N2)](ClO4)2·C2H3NF(000) = 1840
Mr = 902.81Dx = 1.596 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 2756 reflections
a = 13.5426 (12) Åθ = 2.3–22.5°
b = 12.0901 (10) ŵ = 1.23 mm1
c = 23.159 (2) ÅT = 295 K
β = 97.739 (2)°Block, dark red
V = 3757.3 (6) Å30.20 × 0.18 × 0.14 mm
Z = 4

Data collection

Bruker SMART APEX area-detector diffractometer7351 independent reflections
Radiation source: fine-focus sealed tube4504 reflections with I > 2σ(I)
graphiteRint = 0.042
[var phi] and ω scansθmax = 26.0°, θmin = 1.9°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)h = −16→6
Tmin = 0.791, Tmax = 0.847k = −14→14
18927 measured reflectionsl = −28→27

Refinement

Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.063Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.189H-atom parameters constrained
S = 1.02w = 1/[σ2(Fo2) + (0.0998P)2 + 0.0603P] where P = (Fo2 + 2Fc2)/3
7351 reflections(Δ/σ)max < 0.001
552 parametersΔρmax = 0.69 e Å3
76 restraintsΔρmin = −0.39 e Å3

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds 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 > 2sigma(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*/UeqOcc. (<1)
Zn10.20436 (4)0.80770 (5)0.44899 (2)0.0548 (2)
Fe10.43574 (6)0.43885 (6)0.69019 (3)0.0600 (3)
N10.0827 (3)0.7461 (3)0.48281 (16)0.0530 (10)
N20.2680 (3)0.6996 (3)0.50269 (15)0.0456 (9)
N30.3505 (3)0.8502 (3)0.44757 (15)0.0487 (9)
N40.1387 (3)0.9140 (3)0.38969 (17)0.0518 (10)
N50.1950 (3)0.7041 (3)0.36728 (16)0.0521 (10)
C1−0.0112 (4)0.7820 (5)0.4727 (2)0.0634 (14)
H1−0.02630.84160.44770.076*
C2−0.0865 (4)0.7331 (5)0.4983 (3)0.0697 (15)
H2−0.15130.75980.49090.084*
C3−0.0647 (4)0.6452 (5)0.5345 (3)0.0733 (16)
H3−0.11480.61100.55180.088*
C40.0323 (4)0.6068 (4)0.5454 (2)0.0617 (14)
H40.04810.54700.57020.074*
C50.1050 (4)0.6588 (4)0.5190 (2)0.0491 (11)
C60.2119 (3)0.6300 (4)0.52871 (19)0.0467 (11)
C70.2552 (4)0.5428 (4)0.5613 (2)0.0508 (12)
H70.21570.49350.57880.061*
C80.3590 (4)0.5287 (4)0.56798 (19)0.0479 (11)
C90.4157 (4)0.6051 (4)0.54125 (19)0.0496 (12)
H90.48480.59890.54510.059*
C100.3671 (4)0.6908 (4)0.50863 (19)0.0458 (11)
C110.4155 (4)0.7804 (4)0.47865 (18)0.0468 (11)
C120.5173 (4)0.7952 (4)0.4826 (2)0.0550 (12)
H120.56080.74570.50370.066*
C130.5535 (4)0.8837 (5)0.4551 (2)0.0630 (14)
H130.62170.89610.45820.076*
C140.4882 (4)0.9536 (4)0.4232 (2)0.0630 (14)
H140.51171.01320.40350.076*
C150.3877 (4)0.9350 (4)0.4203 (2)0.0573 (13)
H150.34380.98330.39870.069*
C160.4066 (4)0.4362 (4)0.6018 (2)0.0538 (12)
C170.3564 (4)0.3479 (4)0.6261 (2)0.0607 (14)
H170.28780.33660.62140.073*
C180.4289 (5)0.2803 (4)0.6585 (2)0.0685 (15)
H180.41630.21650.67870.082*
C190.5223 (5)0.3254 (4)0.6551 (2)0.0627 (14)
H190.58280.29680.67250.075*
C200.5097 (4)0.4227 (4)0.6204 (2)0.0576 (13)
H200.56020.46930.61160.069*
C210.3877 (11)0.5856 (9)0.7185 (4)0.129 (4)
H210.35290.63890.69500.154*
C220.3467 (7)0.4982 (11)0.7467 (5)0.124 (3)
H220.27900.48370.74560.149*
C230.4231 (10)0.4371 (7)0.7766 (3)0.111 (3)
H230.41610.37410.79880.133*
C240.5111 (6)0.4856 (9)0.7677 (3)0.104 (3)
H240.57470.46190.78270.125*
C250.4876 (10)0.5776 (8)0.7318 (4)0.121 (3)
H250.53370.62580.71900.145*
C260.1117 (4)1.0154 (4)0.4009 (2)0.0639 (14)
H260.12091.04050.43920.077*
C270.0695 (4)1.0866 (5)0.3568 (3)0.0670 (15)
H270.04951.15720.36600.080*
C280.0580 (4)1.0523 (5)0.3007 (3)0.0664 (15)
H280.03061.09990.27130.080*
C290.0872 (4)0.9458 (4)0.2867 (2)0.0563 (13)
C300.1280 (3)0.8781 (4)0.3332 (2)0.0495 (12)
C310.1599 (4)0.7679 (4)0.3213 (2)0.0492 (11)
C320.1538 (4)0.7321 (4)0.2627 (2)0.0590 (13)
C330.1874 (4)0.6231 (5)0.2546 (3)0.0736 (16)
H330.18500.59430.21720.088*
C340.2231 (5)0.5604 (5)0.3014 (3)0.0786 (18)
H340.24750.48970.29620.094*
C350.2228 (4)0.6029 (4)0.3573 (2)0.0615 (14)
H350.24340.55730.38900.074*
C360.1118 (5)0.8027 (5)0.2176 (2)0.0738 (17)
H360.10690.77880.17920.089*
C370.0788 (4)0.9035 (5)0.2291 (2)0.0699 (16)
H370.04960.94710.19840.084*
Cl10.29132 (13)0.20924 (14)0.88948 (8)0.0823 (5)
Cl20.20806 (12)0.95499 (13)0.58898 (6)0.0699 (4)
O10.3151 (4)0.1246 (4)0.9303 (2)0.1066 (16)
O20.1957 (5)0.1830 (4)0.8569 (2)0.1237 (19)
O30.2817 (4)0.3093 (4)0.9178 (3)0.131 (2)
O40.3644 (7)0.2106 (8)0.8557 (4)0.239 (5)
O50.1906 (9)0.9774 (11)0.5280 (3)0.097 (4)0.502 (11)
O60.1369 (8)0.8737 (9)0.6006 (5)0.107 (4)0.502 (11)
O70.3013 (7)0.9012 (11)0.6063 (5)0.148 (6)0.502 (11)
O80.2057 (12)1.0547 (8)0.6190 (5)0.139 (5)0.502 (11)
O8'0.1199 (8)1.0109 (11)0.6002 (6)0.158 (6)0.498 (11)
O7'0.2833 (7)1.0053 (9)0.6292 (4)0.105 (4)0.498 (11)
O6'0.1978 (11)0.8411 (6)0.6059 (5)0.113 (4)0.498 (11)
O5'0.2334 (8)0.9585 (9)0.5319 (3)0.072 (3)0.498 (11)
N60.0755 (6)0.3618 (6)0.6461 (3)0.109 (2)
C390.1134 (6)0.2945 (6)0.6748 (3)0.085 (2)
C380.1642 (7)0.2102 (6)0.7123 (3)0.115 (3)
H38A0.16170.14100.69170.173*
H38B0.13210.20230.74650.173*
H38C0.23250.23140.72330.173*

Atomic displacement parameters (Å2)

U11U22U33U12U13U23
Zn10.0575 (4)0.0587 (4)0.0477 (4)0.0035 (3)0.0053 (3)0.0062 (3)
Fe10.0739 (6)0.0603 (5)0.0454 (4)0.0030 (4)0.0072 (4)0.0003 (3)
N10.052 (2)0.062 (3)0.045 (2)−0.002 (2)0.0067 (19)−0.0031 (19)
N20.048 (2)0.047 (2)0.041 (2)−0.0035 (18)0.0045 (17)0.0043 (17)
N30.057 (2)0.050 (2)0.038 (2)−0.002 (2)0.0055 (18)0.0031 (17)
N40.051 (2)0.055 (2)0.049 (2)0.006 (2)0.0072 (19)−0.0014 (19)
N50.056 (2)0.052 (2)0.047 (2)−0.001 (2)0.0021 (19)0.0006 (19)
C10.058 (3)0.070 (3)0.064 (3)0.003 (3)0.012 (3)−0.007 (3)
C20.053 (3)0.086 (4)0.070 (4)0.012 (3)0.008 (3)−0.013 (3)
C30.056 (3)0.085 (4)0.085 (4)−0.011 (3)0.027 (3)−0.020 (4)
C40.071 (4)0.057 (3)0.059 (3)−0.008 (3)0.014 (3)−0.003 (3)
C50.057 (3)0.046 (3)0.045 (3)−0.006 (2)0.009 (2)−0.006 (2)
C60.049 (3)0.054 (3)0.038 (2)−0.004 (2)0.008 (2)−0.003 (2)
C70.059 (3)0.048 (3)0.047 (3)−0.006 (2)0.012 (2)0.006 (2)
C80.059 (3)0.045 (3)0.040 (2)−0.003 (2)0.007 (2)0.000 (2)
C90.046 (3)0.054 (3)0.047 (3)−0.005 (2)0.002 (2)0.001 (2)
C100.051 (3)0.049 (3)0.037 (2)−0.006 (2)0.003 (2)−0.002 (2)
C110.053 (3)0.050 (3)0.038 (2)0.001 (2)0.007 (2)−0.001 (2)
C120.054 (3)0.060 (3)0.051 (3)0.002 (3)0.008 (2)0.006 (2)
C130.061 (3)0.075 (4)0.054 (3)−0.016 (3)0.014 (3)0.004 (3)
C140.076 (4)0.060 (3)0.055 (3)−0.014 (3)0.019 (3)0.010 (3)
C150.071 (4)0.050 (3)0.051 (3)0.000 (3)0.010 (3)0.012 (2)
C160.067 (3)0.048 (3)0.047 (3)−0.003 (2)0.007 (2)0.001 (2)
C170.071 (4)0.053 (3)0.058 (3)−0.008 (3)0.007 (3)0.009 (2)
C180.093 (4)0.054 (3)0.058 (3)0.004 (3)0.009 (3)0.014 (3)
C190.073 (4)0.056 (3)0.059 (3)0.016 (3)0.007 (3)0.004 (2)
C200.071 (4)0.048 (3)0.053 (3)0.004 (3)0.005 (3)0.001 (2)
C210.188 (11)0.107 (7)0.085 (6)0.044 (8)−0.001 (8)−0.031 (5)
C220.102 (7)0.167 (10)0.112 (7)−0.004 (7)0.046 (6)−0.060 (7)
C230.168 (9)0.114 (6)0.057 (4)−0.006 (7)0.035 (5)−0.002 (4)
C240.095 (6)0.154 (8)0.058 (4)0.024 (6)−0.013 (4)−0.028 (5)
C250.182 (10)0.104 (6)0.081 (6)−0.055 (7)0.031 (7)−0.046 (5)
C260.068 (3)0.056 (3)0.068 (3)0.007 (3)0.010 (3)−0.002 (3)
C270.062 (3)0.057 (3)0.081 (4)0.013 (3)0.007 (3)0.008 (3)
C280.059 (3)0.071 (4)0.067 (4)0.003 (3)0.002 (3)0.016 (3)
C290.057 (3)0.060 (3)0.052 (3)0.002 (3)0.006 (2)0.008 (2)
C300.042 (3)0.056 (3)0.049 (3)−0.005 (2)0.000 (2)0.008 (2)
C310.048 (3)0.049 (3)0.050 (3)−0.001 (2)0.006 (2)−0.001 (2)
C320.064 (3)0.069 (3)0.044 (3)−0.005 (3)0.007 (2)−0.001 (2)
C330.086 (4)0.077 (4)0.059 (4)0.000 (3)0.015 (3)−0.022 (3)
C340.101 (5)0.060 (3)0.074 (4)0.002 (3)0.011 (4)−0.011 (3)
C350.071 (4)0.051 (3)0.061 (3)0.004 (3)0.005 (3)−0.002 (2)
C360.088 (4)0.086 (4)0.045 (3)−0.009 (4)0.002 (3)−0.002 (3)
C370.078 (4)0.084 (4)0.045 (3)0.002 (3)0.000 (3)0.014 (3)
Cl10.0835 (11)0.0773 (10)0.0883 (11)0.0114 (9)0.0201 (9)0.0003 (9)
Cl20.0786 (10)0.0795 (10)0.0535 (8)−0.0053 (8)0.0158 (7)−0.0020 (7)
O10.110 (4)0.079 (3)0.122 (4)−0.010 (3)−0.017 (3)0.013 (3)
O20.138 (5)0.129 (4)0.092 (3)0.022 (4)−0.028 (3)−0.025 (3)
O30.114 (4)0.079 (3)0.186 (6)0.019 (3)−0.038 (4)−0.044 (3)
O40.218 (8)0.266 (10)0.274 (9)0.077 (8)0.186 (8)0.118 (8)
O50.105 (7)0.109 (6)0.076 (5)0.011 (5)0.007 (4)0.018 (4)
O60.092 (6)0.138 (6)0.096 (6)−0.028 (5)0.036 (5)0.005 (5)
O70.136 (7)0.161 (7)0.143 (7)0.014 (5)0.002 (5)0.008 (5)
O80.161 (7)0.127 (6)0.129 (7)0.013 (5)0.013 (5)−0.044 (5)
O8'0.130 (7)0.172 (8)0.175 (8)0.021 (5)0.032 (5)0.004 (5)
O7'0.100 (6)0.130 (6)0.083 (5)−0.022 (5)0.002 (4)−0.014 (4)
O6'0.143 (7)0.099 (6)0.097 (6)0.007 (5)0.019 (5)0.014 (4)
O5'0.083 (5)0.082 (5)0.055 (4)−0.016 (4)0.023 (4)−0.007 (4)
N60.135 (6)0.103 (5)0.086 (5)−0.011 (4)0.009 (4)−0.021 (4)
C390.110 (6)0.087 (5)0.063 (4)−0.021 (4)0.029 (4)−0.021 (4)
C380.140 (7)0.113 (6)0.096 (5)−0.010 (6)0.029 (5)0.014 (5)

Geometric parameters (Å, °)

Zn1—N21.925 (4)C17—H170.9300
Zn1—N42.000 (4)C18—C191.390 (8)
Zn1—N32.050 (4)C18—H180.9300
Zn1—N12.057 (4)C19—C201.421 (7)
Zn1—N52.259 (4)C19—H190.9300
Fe1—C252.013 (7)C20—H200.9300
Fe1—C202.021 (5)C21—C251.349 (13)
Fe1—C242.022 (6)C21—C221.397 (13)
Fe1—C222.027 (8)C21—H210.9300
Fe1—C212.028 (8)C22—C231.380 (12)
Fe1—C232.031 (7)C22—H220.9300
Fe1—C162.031 (5)C23—C241.368 (11)
Fe1—C172.034 (5)C23—H230.9300
Fe1—C192.043 (5)C24—C251.400 (11)
Fe1—C182.050 (6)C24—H240.9300
N1—C11.334 (6)C25—H250.9300
N1—C51.356 (6)C26—C271.396 (7)
N2—C61.331 (6)C26—H260.9300
N2—C101.335 (6)C27—C281.354 (8)
N3—C151.337 (6)C27—H270.9300
N3—C111.355 (6)C28—C291.398 (7)
N4—C261.316 (6)C28—H280.9300
N4—C301.366 (6)C29—C301.407 (6)
N5—C351.310 (6)C29—C371.419 (6)
N5—C311.350 (6)C30—C311.439 (7)
C1—C21.379 (8)C31—C321.415 (6)
C1—H10.9300C32—C361.409 (6)
C2—C31.361 (8)C32—C331.416 (8)
C2—H20.9300C33—C341.357 (8)
C3—C41.384 (8)C33—H330.9300
C3—H30.9300C34—C351.393 (8)
C4—C51.380 (7)C34—H340.9300
C4—H40.9300C35—H350.9300
C5—C61.476 (7)C36—C371.336 (7)
C6—C71.380 (6)C36—H360.9300
C7—C81.404 (7)C37—H370.9300
C7—H70.9300Cl1—O41.342 (7)
C8—C91.398 (6)Cl1—O31.391 (5)
C8—C161.465 (6)Cl1—O11.400 (5)
C9—C101.395 (6)Cl1—O21.443 (5)
C9—H90.9300Cl2—O81.393 (7)
C10—C111.486 (6)Cl2—O5'1.411 (6)
C11—C121.381 (7)Cl2—O7'1.421 (7)
C12—C131.369 (7)Cl2—O8'1.426 (8)
C12—H120.9300Cl2—O61.427 (7)
C13—C141.367 (7)Cl2—O51.427 (7)
C13—H130.9300Cl2—O71.429 (8)
C14—C151.373 (7)Cl2—O6'1.443 (7)
C14—H140.9300N6—C391.129 (9)
C15—H150.9300C39—C381.451 (10)
C16—C201.414 (7)C38—H38A0.9600
C16—C171.421 (7)C38—H38B0.9600
C17—C181.414 (7)C38—H38C0.9600
N2—Zn1—N4176.86 (16)C16—C17—H17126.0
N2—Zn1—N380.30 (15)Fe1—C17—H17125.8
N4—Zn1—N399.75 (15)C19—C18—C17108.3 (5)
N2—Zn1—N179.61 (16)C19—C18—Fe169.9 (3)
N4—Zn1—N1100.90 (16)C17—C18—Fe169.1 (3)
N3—Zn1—N1157.18 (15)C19—C18—H18125.8
N2—Zn1—N597.73 (15)C17—C18—H18125.8
N4—Zn1—N579.13 (15)Fe1—C18—H18126.7
N3—Zn1—N594.09 (15)C18—C19—C20108.5 (5)
N1—Zn1—N599.23 (15)C18—C19—Fe170.4 (3)
C25—Fe1—C20106.5 (3)C20—C19—Fe168.7 (3)
C25—Fe1—C2440.6 (3)C18—C19—H19125.8
C20—Fe1—C24119.4 (3)C20—C19—H19125.8
C25—Fe1—C2266.1 (4)Fe1—C19—H19126.6
C20—Fe1—C22162.2 (5)C16—C20—C19107.8 (5)
C24—Fe1—C2266.5 (3)C16—C20—Fe169.9 (3)
C25—Fe1—C2139.0 (4)C19—C20—Fe170.3 (3)
C20—Fe1—C21123.9 (4)C16—C20—H20126.1
C24—Fe1—C2167.3 (4)C19—C20—H20126.1
C22—Fe1—C2140.3 (4)Fe1—C20—H20125.2
C25—Fe1—C2366.9 (3)C25—C21—C22106.8 (9)
C20—Fe1—C23154.5 (4)C25—C21—Fe169.9 (5)
C24—Fe1—C2339.5 (3)C22—C21—Fe169.8 (5)
C22—Fe1—C2339.7 (4)C25—C21—H21126.6
C21—Fe1—C2367.5 (4)C22—C21—H21126.6
C25—Fe1—C16120.2 (3)Fe1—C21—H21125.3
C20—Fe1—C1640.9 (2)C23—C22—C21108.7 (9)
C24—Fe1—C16154.8 (4)C23—C22—Fe170.3 (5)
C22—Fe1—C16127.2 (4)C21—C22—Fe169.9 (5)
C21—Fe1—C16108.2 (3)C23—C22—H22125.6
C23—Fe1—C16164.0 (4)C21—C22—H22125.6
C25—Fe1—C17156.3 (4)Fe1—C22—H22125.8
C20—Fe1—C1768.6 (2)C24—C23—C22107.7 (8)
C24—Fe1—C17162.3 (4)C24—C23—Fe169.9 (4)
C22—Fe1—C17111.2 (3)C22—C23—Fe170.0 (4)
C21—Fe1—C17123.2 (4)C24—C23—H23126.1
C23—Fe1—C17127.4 (3)C22—C23—H23126.1
C16—Fe1—C1740.90 (19)Fe1—C23—H23125.5
C25—Fe1—C19124.6 (4)C23—C24—C25107.3 (8)
C20—Fe1—C1940.93 (19)C23—C24—Fe170.6 (4)
C24—Fe1—C19107.0 (3)C25—C24—Fe169.3 (4)
C22—Fe1—C19156.6 (5)C23—C24—H24126.3
C21—Fe1—C19160.4 (5)C25—C24—H24126.3
C23—Fe1—C19120.9 (4)Fe1—C24—H24125.3
C16—Fe1—C1968.4 (2)C21—C25—C24109.4 (9)
C17—Fe1—C1967.8 (2)C21—C25—Fe171.1 (5)
C25—Fe1—C18161.1 (5)C24—C25—Fe170.1 (4)
C20—Fe1—C1868.1 (2)C21—C25—H25125.3
C24—Fe1—C18124.9 (3)C24—C25—H25125.3
C22—Fe1—C18124.1 (4)Fe1—C25—H25125.2
C21—Fe1—C18158.8 (5)N4—C26—C27121.9 (5)
C23—Fe1—C18109.7 (3)N4—C26—H26119.1
C16—Fe1—C1868.38 (19)C27—C26—H26119.1
C17—Fe1—C1840.5 (2)C28—C27—C26119.8 (5)
C19—Fe1—C1839.7 (2)C28—C27—H27120.1
C1—N1—C5119.3 (5)C26—C27—H27120.1
C1—N1—Zn1127.5 (4)C27—C28—C29120.3 (5)
C5—N1—Zn1113.2 (3)C27—C28—H28119.8
C6—N2—C10122.0 (4)C29—C28—H28119.8
C6—N2—Zn1119.3 (3)C28—C29—C30116.9 (5)
C10—N2—Zn1118.5 (3)C28—C29—C37124.2 (5)
C15—N3—C11118.0 (4)C30—C29—C37119.0 (5)
C15—N3—Zn1128.7 (3)N4—C30—C29122.0 (4)
C11—N3—Zn1113.3 (3)N4—C30—C31118.8 (4)
C26—N4—C30119.2 (4)C29—C30—C31119.2 (4)
C26—N4—Zn1125.0 (4)N5—C31—C32123.4 (4)
C30—N4—Zn1115.7 (3)N5—C31—C30117.4 (4)
C35—N5—C31118.3 (4)C32—C31—C30119.2 (4)
C35—N5—Zn1132.9 (3)C36—C32—C31119.4 (5)
C31—N5—Zn1108.6 (3)C36—C32—C33124.8 (5)
N1—C1—C2121.8 (5)C31—C32—C33115.7 (4)
N1—C1—H1119.1C34—C33—C32120.0 (5)
C2—C1—H1119.1C34—C33—H33120.0
C3—C2—C1119.2 (5)C32—C33—H33120.0
C3—C2—H2120.4C33—C34—C35119.4 (5)
C1—C2—H2120.4C33—C34—H34120.3
C2—C3—C4119.8 (6)C35—C34—H34120.3
C2—C3—H3120.1N5—C35—C34123.0 (5)
C4—C3—H3120.1N5—C35—H35118.5
C5—C4—C3118.8 (5)C34—C35—H35118.5
C5—C4—H4120.6C37—C36—C32121.2 (5)
C3—C4—H4120.6C37—C36—H36119.4
N1—C5—C4121.1 (5)C32—C36—H36119.4
N1—C5—C6114.2 (4)C36—C37—C29122.0 (5)
C4—C5—C6124.7 (4)C36—C37—H37119.0
N2—C6—C7120.3 (4)C29—C37—H37119.0
N2—C6—C5112.9 (4)O4—Cl1—O3112.8 (6)
C7—C6—C5126.8 (4)O4—Cl1—O1106.3 (4)
C6—C7—C8119.9 (4)O3—Cl1—O1110.2 (3)
C6—C7—H7120.1O4—Cl1—O2112.2 (6)
C8—C7—H7120.1O3—Cl1—O2107.7 (3)
C9—C8—C7118.2 (4)O1—Cl1—O2107.5 (3)
C9—C8—C16120.9 (4)O8—Cl2—O5'117.8 (7)
C7—C8—C16120.9 (4)O8—Cl2—O7'50.7 (6)
C10—C9—C8118.9 (4)O5'—Cl2—O7'111.0 (6)
C10—C9—H9120.5O8—Cl2—O8'54.7 (7)
C8—C9—H9120.5O5'—Cl2—O8'118.1 (7)
N2—C10—C9120.7 (4)O7'—Cl2—O8'102.8 (7)
N2—C10—C11113.3 (4)O8—Cl2—O6116.1 (7)
C9—C10—C11126.1 (4)O5'—Cl2—O6116.9 (6)
N3—C11—C12121.7 (4)O7'—Cl2—O6127.8 (6)
N3—C11—C10114.0 (4)O8'—Cl2—O671.9 (7)
C12—C11—C10124.3 (4)O8—Cl2—O5108.5 (7)
C13—C12—C11119.1 (5)O7'—Cl2—O5125.2 (7)
C13—C12—H12120.4O8'—Cl2—O593.4 (7)
C11—C12—H12120.4O6—Cl2—O5107.0 (7)
C14—C13—C12119.4 (5)O8—Cl2—O7109.4 (7)
C14—C13—H13120.3O5'—Cl2—O787.7 (7)
C12—C13—H13120.3O7'—Cl2—O758.8 (6)
C13—C14—C15119.3 (5)O8'—Cl2—O7153.4 (7)
C13—C14—H14120.4O6—Cl2—O7103.1 (7)
C15—C14—H14120.4O5—Cl2—O7112.8 (7)
N3—C15—C14122.5 (5)O8—Cl2—O6'132.9 (7)
N3—C15—H15118.8O5'—Cl2—O6'109.1 (6)
C14—C15—H15118.8O7'—Cl2—O6'108.5 (6)
C20—C16—C17107.4 (4)O8'—Cl2—O6'106.8 (7)
C20—C16—C8126.5 (5)O5—Cl2—O6'116.2 (7)
C17—C16—C8125.9 (5)O7—Cl2—O6'66.7 (7)
C20—C16—Fe169.2 (3)N6—C39—C38178.4 (9)
C17—C16—Fe169.7 (3)C39—C38—H38A109.5
C8—C16—Fe1122.6 (3)C39—C38—H38B109.5
C18—C17—C16108.0 (5)H38A—C38—H38B109.5
C18—C17—Fe170.3 (3)C39—C38—H38C109.5
C16—C17—Fe169.4 (3)H38A—C38—H38C109.5
C18—C17—H17126.0H38B—C38—H38C109.5
N2—Zn1—N1—C1174.4 (4)C25—Fe1—C19—C20−74.4 (5)
N4—Zn1—N1—C1−8.7 (4)C24—Fe1—C19—C20−115.5 (5)
N3—Zn1—N1—C1145.7 (4)C22—Fe1—C19—C20174.6 (7)
N5—Zn1—N1—C1−89.3 (4)C21—Fe1—C19—C20−45.5 (10)
N2—Zn1—N1—C5−5.9 (3)C23—Fe1—C19—C20−156.3 (5)
N4—Zn1—N1—C5170.9 (3)C16—Fe1—C19—C2038.2 (3)
N3—Zn1—N1—C5−34.6 (6)C17—Fe1—C19—C2082.4 (3)
N5—Zn1—N1—C590.3 (3)C18—Fe1—C19—C20119.9 (5)
N3—Zn1—N2—C6177.7 (3)C17—C16—C20—C191.0 (6)
N1—Zn1—N2—C68.6 (3)C8—C16—C20—C19176.3 (4)
N5—Zn1—N2—C6−89.4 (3)Fe1—C16—C20—C1960.4 (3)
N3—Zn1—N2—C10−8.1 (3)C17—C16—C20—Fe1−59.4 (3)
N1—Zn1—N2—C10−177.2 (4)C8—C16—C20—Fe1115.8 (5)
N5—Zn1—N2—C1084.8 (3)C18—C19—C20—C16−0.8 (6)
N2—Zn1—N3—C15−175.2 (4)Fe1—C19—C20—C16−60.2 (4)
N4—Zn1—N3—C158.0 (4)C18—C19—C20—Fe159.4 (4)
N1—Zn1—N3—C15−146.6 (4)C25—Fe1—C20—C16−117.4 (5)
N5—Zn1—N3—C1587.7 (4)C24—Fe1—C20—C16−159.5 (4)
N2—Zn1—N3—C115.2 (3)C22—Fe1—C20—C16−54.6 (11)
N4—Zn1—N3—C11−171.6 (3)C21—Fe1—C20—C16−78.4 (5)
N1—Zn1—N3—C1133.8 (6)C23—Fe1—C20—C16171.8 (6)
N5—Zn1—N3—C11−91.9 (3)C17—Fe1—C20—C1638.1 (3)
N3—Zn1—N4—C26−87.6 (4)C19—Fe1—C20—C16118.4 (4)
N1—Zn1—N4—C2682.6 (4)C18—Fe1—C20—C1681.8 (3)
N5—Zn1—N4—C26−180.0 (5)C25—Fe1—C20—C19124.2 (5)
N3—Zn1—N4—C3088.0 (3)C24—Fe1—C20—C1982.1 (5)
N1—Zn1—N4—C30−101.8 (3)C22—Fe1—C20—C19−173.0 (10)
N5—Zn1—N4—C30−4.4 (3)C21—Fe1—C20—C19163.2 (5)
N2—Zn1—N5—C35−0.1 (5)C23—Fe1—C20—C1953.4 (8)
N4—Zn1—N5—C35179.8 (5)C16—Fe1—C20—C19−118.4 (4)
N3—Zn1—N5—C3580.6 (5)C17—Fe1—C20—C19−80.4 (3)
N1—Zn1—N5—C35−80.8 (5)C18—Fe1—C20—C19−36.6 (3)
N2—Zn1—N5—C31−174.4 (3)C20—Fe1—C21—C25−73.5 (7)
N4—Zn1—N5—C315.6 (3)C24—Fe1—C21—C2537.7 (6)
N3—Zn1—N5—C31−93.6 (3)C22—Fe1—C21—C25117.5 (9)
N1—Zn1—N5—C31105.0 (3)C23—Fe1—C21—C2580.6 (6)
C5—N1—C1—C20.3 (7)C16—Fe1—C21—C25−115.9 (6)
Zn1—N1—C1—C2180.0 (4)C17—Fe1—C21—C25−158.5 (5)
N1—C1—C2—C3−0.6 (8)C19—Fe1—C21—C25−39.2 (13)
C1—C2—C3—C40.5 (8)C18—Fe1—C21—C25167.2 (7)
C2—C3—C4—C5−0.3 (8)C25—Fe1—C21—C22−117.5 (9)
C1—N1—C5—C4−0.1 (7)C20—Fe1—C21—C22169.0 (6)
Zn1—N1—C5—C4−179.8 (4)C24—Fe1—C21—C22−79.8 (6)
C1—N1—C5—C6−177.4 (4)C23—Fe1—C21—C22−37.0 (6)
Zn1—N1—C5—C62.9 (5)C16—Fe1—C21—C22126.6 (6)
C3—C4—C5—N10.1 (7)C17—Fe1—C21—C2284.0 (7)
C3—C4—C5—C6177.1 (5)C19—Fe1—C21—C22−156.7 (8)
C10—N2—C6—C7−2.5 (7)C18—Fe1—C21—C2249.7 (11)
Zn1—N2—C6—C7171.5 (3)C25—C21—C22—C23−0.7 (10)
C10—N2—C6—C5176.7 (4)Fe1—C21—C22—C2359.8 (6)
Zn1—N2—C6—C5−9.3 (5)C25—C21—C22—Fe1−60.4 (6)
N1—C5—C6—N23.7 (6)C25—Fe1—C22—C23−82.0 (6)
C4—C5—C6—N2−173.5 (4)C20—Fe1—C22—C23−150.8 (9)
N1—C5—C6—C7−177.2 (4)C24—Fe1—C22—C23−37.5 (5)
C4—C5—C6—C75.6 (8)C21—Fe1—C22—C23−119.6 (8)
N2—C6—C7—C81.2 (7)C16—Fe1—C22—C23167.2 (5)
C5—C6—C7—C8−177.9 (4)C17—Fe1—C22—C23123.5 (6)
C6—C7—C8—C90.4 (7)C19—Fe1—C22—C2340.8 (11)
C6—C7—C8—C16−179.3 (4)C18—Fe1—C22—C2379.8 (6)
C7—C8—C9—C10−0.8 (6)C25—Fe1—C22—C2137.6 (6)
C16—C8—C9—C10178.9 (4)C20—Fe1—C22—C21−31.2 (14)
C6—N2—C10—C92.1 (7)C24—Fe1—C22—C2182.1 (6)
Zn1—N2—C10—C9−172.0 (3)C23—Fe1—C22—C21119.6 (8)
C6—N2—C10—C11−176.8 (4)C16—Fe1—C22—C21−73.2 (7)
Zn1—N2—C10—C119.1 (5)C17—Fe1—C22—C21−116.8 (6)
C8—C9—C10—N2−0.4 (7)C19—Fe1—C22—C21160.4 (8)
C8—C9—C10—C11178.4 (4)C18—Fe1—C22—C21−160.6 (6)
C15—N3—C11—C120.1 (6)C21—C22—C23—C240.5 (9)
Zn1—N3—C11—C12179.7 (4)Fe1—C22—C23—C2460.0 (5)
C15—N3—C11—C10178.3 (4)C21—C22—C23—Fe1−59.5 (6)
Zn1—N3—C11—C10−2.0 (5)C25—Fe1—C23—C24−38.6 (6)
N2—C10—C11—N3−4.2 (5)C20—Fe1—C23—C2441.2 (10)
C9—C10—C11—N3176.9 (4)C22—Fe1—C23—C24−118.6 (8)
N2—C10—C11—C12174.0 (4)C21—Fe1—C23—C24−81.1 (6)
C9—C10—C11—C12−4.8 (7)C16—Fe1—C23—C24−158.5 (9)
N3—C11—C12—C131.0 (7)C17—Fe1—C23—C24163.4 (5)
C10—C11—C12—C13−177.1 (4)C19—Fe1—C23—C2479.0 (6)
C11—C12—C13—C14−1.7 (8)C18—Fe1—C23—C24121.4 (6)
C12—C13—C14—C151.4 (8)C25—Fe1—C23—C2279.9 (6)
C11—N3—C15—C14−0.4 (7)C20—Fe1—C23—C22159.7 (7)
Zn1—N3—C15—C14−179.9 (4)C24—Fe1—C23—C22118.6 (8)
C13—C14—C15—N3−0.4 (8)C21—Fe1—C23—C2237.5 (6)
C9—C8—C16—C2012.0 (7)C16—Fe1—C23—C22−40.0 (13)
C7—C8—C16—C20−168.2 (5)C17—Fe1—C23—C22−78.0 (7)
C9—C8—C16—C17−173.5 (5)C19—Fe1—C23—C22−162.4 (6)
C7—C8—C16—C176.2 (7)C18—Fe1—C23—C22−120.0 (6)
C9—C8—C16—Fe199.1 (5)C22—C23—C24—C25−0.1 (9)
C7—C8—C16—Fe1−81.1 (5)Fe1—C23—C24—C2559.9 (5)
C25—Fe1—C16—C2080.2 (5)C22—C23—C24—Fe1−60.0 (5)
C24—Fe1—C16—C2046.0 (7)C25—Fe1—C24—C23118.0 (8)
C22—Fe1—C16—C20161.8 (5)C20—Fe1—C24—C23−161.0 (5)
C21—Fe1—C16—C20121.1 (6)C22—Fe1—C24—C2337.8 (6)
C23—Fe1—C16—C20−167.2 (10)C21—Fe1—C24—C2381.8 (6)
C17—Fe1—C16—C20−118.8 (4)C16—Fe1—C24—C23166.3 (6)
C19—Fe1—C16—C20−38.3 (3)C17—Fe1—C24—C23−48.2 (11)
C18—Fe1—C16—C20−81.1 (3)C19—Fe1—C24—C23−118.3 (6)
C25—Fe1—C16—C17−161.0 (5)C18—Fe1—C24—C23−78.4 (6)
C20—Fe1—C16—C17118.8 (4)C20—Fe1—C24—C2581.0 (7)
C24—Fe1—C16—C17164.7 (6)C22—Fe1—C24—C25−80.2 (7)
C22—Fe1—C16—C17−79.4 (6)C21—Fe1—C24—C25−36.3 (6)
C21—Fe1—C16—C17−120.1 (6)C23—Fe1—C24—C25−118.0 (8)
C23—Fe1—C16—C17−48.4 (11)C16—Fe1—C24—C2548.3 (9)
C19—Fe1—C16—C1780.5 (3)C17—Fe1—C24—C25−166.2 (8)
C18—Fe1—C16—C1737.7 (3)C19—Fe1—C24—C25123.7 (6)
C25—Fe1—C16—C8−40.7 (7)C18—Fe1—C24—C25163.6 (6)
C20—Fe1—C16—C8−120.9 (5)C22—C21—C25—C240.6 (9)
C24—Fe1—C16—C8−74.9 (8)Fe1—C21—C25—C24−59.8 (5)
C22—Fe1—C16—C840.9 (7)C22—C21—C25—Fe160.4 (6)
C21—Fe1—C16—C80.3 (7)C23—C24—C25—C21−0.3 (9)
C23—Fe1—C16—C872.0 (11)Fe1—C24—C25—C2160.4 (6)
C17—Fe1—C16—C8120.3 (6)C23—C24—C25—Fe1−60.7 (5)
C19—Fe1—C16—C8−159.1 (5)C20—Fe1—C25—C21123.9 (7)
C18—Fe1—C16—C8158.0 (5)C24—Fe1—C25—C21−119.9 (9)
C20—C16—C17—C18−0.9 (6)C22—Fe1—C25—C21−38.8 (6)
C8—C16—C17—C18−176.2 (5)C23—Fe1—C25—C21−82.3 (7)
Fe1—C16—C17—C18−60.0 (4)C16—Fe1—C25—C2181.6 (7)
C20—C16—C17—Fe159.1 (3)C17—Fe1—C25—C2149.7 (11)
C8—C16—C17—Fe1−116.2 (5)C19—Fe1—C25—C21165.0 (6)
C25—Fe1—C17—C18163.2 (8)C18—Fe1—C25—C21−165.7 (8)
C20—Fe1—C17—C1881.0 (4)C20—Fe1—C25—C24−116.2 (6)
C24—Fe1—C17—C18−39.4 (10)C22—Fe1—C25—C2481.1 (6)
C22—Fe1—C17—C18−118.1 (6)C21—Fe1—C25—C24119.9 (9)
C21—Fe1—C17—C18−161.7 (6)C23—Fe1—C25—C2437.6 (5)
C23—Fe1—C17—C18−76.0 (6)C16—Fe1—C25—C24−158.4 (5)
C16—Fe1—C17—C18119.0 (5)C17—Fe1—C25—C24169.6 (6)
C19—Fe1—C17—C1836.7 (3)C19—Fe1—C25—C24−75.0 (6)
C25—Fe1—C17—C1644.2 (10)C18—Fe1—C25—C24−45.8 (12)
C20—Fe1—C17—C16−38.0 (3)C30—N4—C26—C272.0 (8)
C24—Fe1—C17—C16−158.4 (9)Zn1—N4—C26—C27177.5 (4)
C22—Fe1—C17—C16122.9 (6)N4—C26—C27—C28−1.7 (9)
C21—Fe1—C17—C1679.3 (6)C26—C27—C28—C290.6 (9)
C23—Fe1—C17—C16165.0 (5)C27—C28—C29—C300.1 (8)
C19—Fe1—C17—C16−82.3 (3)C27—C28—C29—C37−179.3 (6)
C18—Fe1—C17—C16−119.0 (5)C26—N4—C30—C29−1.3 (7)
C16—C17—C18—C190.4 (6)Zn1—N4—C30—C29−177.2 (4)
Fe1—C17—C18—C19−59.0 (4)C26—N4—C30—C31178.6 (5)
C16—C17—C18—Fe159.4 (3)Zn1—N4—C30—C312.7 (6)
C25—Fe1—C18—C19−39.1 (10)C28—C29—C30—N40.2 (7)
C20—Fe1—C18—C1937.7 (3)C37—C29—C30—N4179.6 (5)
C24—Fe1—C18—C19−73.7 (5)C28—C29—C30—C31−179.6 (5)
C22—Fe1—C18—C19−157.0 (5)C37—C29—C30—C31−0.2 (7)
C21—Fe1—C18—C19166.5 (9)C35—N5—C31—C32−1.6 (7)
C23—Fe1—C18—C19−115.1 (5)Zn1—N5—C31—C32173.6 (4)
C16—Fe1—C18—C1981.9 (3)C35—N5—C31—C30178.9 (5)
C17—Fe1—C18—C19119.9 (5)Zn1—N5—C31—C30−5.9 (5)
C25—Fe1—C18—C17−159.0 (9)N4—C30—C31—N52.7 (7)
C20—Fe1—C18—C17−82.2 (3)C29—C30—C31—N5−177.4 (4)
C24—Fe1—C18—C17166.4 (4)N4—C30—C31—C32−176.8 (4)
C22—Fe1—C18—C1783.1 (6)C29—C30—C31—C323.0 (7)
C21—Fe1—C18—C1746.6 (10)N5—C31—C32—C36177.1 (5)
C23—Fe1—C18—C17125.0 (5)C30—C31—C32—C36−3.4 (7)
C16—Fe1—C18—C17−38.0 (3)N5—C31—C32—C330.0 (8)
C19—Fe1—C18—C17−119.9 (5)C30—C31—C32—C33179.5 (5)
C17—C18—C19—C200.2 (6)C36—C32—C33—C34−177.3 (6)
Fe1—C18—C19—C20−58.4 (4)C31—C32—C33—C34−0.4 (8)
C17—C18—C19—Fe158.6 (4)C32—C33—C34—C352.4 (9)
C25—Fe1—C19—C18165.7 (5)C31—N5—C35—C343.7 (8)
C20—Fe1—C19—C18−119.9 (5)Zn1—N5—C35—C34−170.1 (4)
C24—Fe1—C19—C18124.6 (5)C33—C34—C35—N5−4.1 (10)
C22—Fe1—C19—C1854.7 (9)C31—C32—C36—C370.9 (9)
C21—Fe1—C19—C18−165.4 (9)C33—C32—C36—C37177.7 (6)
C23—Fe1—C19—C1883.8 (5)C32—C36—C37—C292.0 (9)
C16—Fe1—C19—C18−81.7 (3)C28—C29—C37—C36177.0 (6)
C17—Fe1—C19—C18−37.5 (3)C30—C29—C37—C36−2.4 (9)

Footnotes

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: JH2081).

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