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Acta Cryst. (2009). E65, m731    [ doi:10.1107/S1600536809020753 ]

(4'-Ferrocenyl-2,2':6',2''-terpyridine-[kappa]3N,N',N'')(1,10-phenanthroline-[kappa]2N,N')copper(II) bis(perchlorate) acetonitrile solvate

S.-P. Tang, D.-Z. Kuang, Y.-L. Feng, M.-S. Chen and W. Li

Abstract top

The title complex, [CuFe(C5H5)(C20H14N3)(C12H8N2)](ClO4)2·C2H3N, consists of a mononuclear [Cu(C12H8N2)(C25H19FeN3)]2+ cation, two ClO4- anions (one of which is disordered over two positions with equal occupancy) and one CH3CN solvent molecule. The CuII center has a distorted square-pyramidal coordination with three N atoms of the 4'-ferrocenyl-2,2':6',2''- terpyridine (fctpy) ligand and one 1,10-phenanthroline (phen) N atom in the basal plane and a second phen N atom in the apical position with an axial distance of 2.254 (4) Å. The disordered ClO4- anion is weakly coordinated to the CuII ion with a Cu-O distance of 2.766 (11) Å. The two cyclopentadienyl rings of the ferrocenyl group are almost eclipsed with a deviation of 4.7 (1) °, and are involved in intermolecular [pi]-[pi] interactions with the outer pyridyl rings of the fctpy ligands [centroid-centroid distance = 3.759 (2) Å.].

Comment top

4'-Ferrocenyl-2,2':6',2''-terpyridine (fctpy) have rencently been paid more attentions because of its coordinating abilities towards transition metal ions, such as AuI, RuII, CoII, FeII and CuII metals (Aguado et al., 2005; Constable et al., 1994; Farlow et al., 1993, Tang & Kuang, 2007), and some of its complexes exhibited interesting electrochemical properties. Ongoing our work at the study of fctpy complexes (Tang & Kuang, 2007), a new CuII complex of incorporating fctpy and 1,10-phenanthroline (phen) as mixed-ligands is here reported.

As shown in Fig. 1, in the title complex, the Cu II center is five- coordinated by three N atoms from the fctpy ligand and two N atoms from the phen ligand to give a distorted square pyramidal geometry. The N5 atom from the phen ligand is located at the apical position and form the Cu—N distance of 2.254 (4) Å, which is markedly longer than values in the basal plane [1.930 (3)—2.064 (4) Å] resulting from the Jahn-Teller effect of divalent copper ion. The O1 atom of one ClO4- anion is werkly coordinated to the CuII center with a distance of 2.766 (11) Å. The central pyridine of the fctpy ligand are almost coplanar with the two outer pyridines [dihedral angles of 6.2 (1) ° and 6.8 (1) °, respectively], however, which form a larger tilt angle of 9.3 (2) ° from its linking cyclopentadienyl ring. The two cyclopentadienyl rings of the ferrocenyl group is almost eclipsed with a deviation of 4.7 (1) °.

In the crystal packing, the cyclopentadienyl rings attached to the central pyridines and the adjacent outer N1-pyridyl rings of the fctpy ligands form intermolecular π···π interactions with the centroid-to-centroid distances of 3.759 (2) Å.

Related literature top

For related complexes of the fctpy ligand, see: Aguado et al. (2005); Constable et al. (1994); Farlow et al. (1993); Tang & Kuang (2007).

Experimental top

A solution of copper perchlorates hexahydrate (18.5 mg, 0.05 mmol), fctpy (21.0 mg, 0.05 mmol) and 1,10-phenanthroline (9.9 mg, 0.05 mmol) in acetonitrile (7 ml) was stirred for 4 h. The resulting solution was filtered off and the filtrate was diffused by diethylether evaporation to give dark-purple sheet crystals of the title complex after three days [yield: 25 mg (55%)].

Refinement top

One of the perchlorate anions is two-fold disordered and the site-occupancy factors of its O atoms (constrained to sum to unity) were refined to 0.503 (10):0.497 (10). 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.

Computing details top

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

Figures top
[Figure 1] Fig. 1. The title molecule with displacement ellipsoids drawn at the 30% probability level.The H atoms and the minor component of the disorder has been omitted for clarity.
(4'-Ferrocenyl-2,2':6',2''-terpyridine- κ3N,N',N'')(1,10-phenanthroline- κ2N,N')copper(II) bis(perchlorate) acetonitrile solvate top
Crystal data top
[CuFe(C5H5)(C20H14N3)(C12H8N2)](ClO4)2·C2H3NF(000) = 1836
Mr = 900.98Dx = 1.587 Mg m−3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 3235 reflections
a = 13.5554 (9) Åθ = 2.3–22.3°
b = 12.1087 (8) ŵ = 1.15 mm−1
c = 23.1754 (14) ÅT = 295 K
β = 97.577 (1)°Sheet, dark-purple
V = 3770.8 (4) Å30.24 × 0.18 × 0.07 mm
Z = 4
Data collection top
Bruker SMART APEX area-detector
diffractometer		7358 independent reflections
Radiation source: fine-focus sealed tube4622 reflections with I > 2σ(I)
graphiteRint = 0.039
φ and ω scansθmax = 26.0°, θmin = 1.9°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)		h = −16→16
Tmin = 0.769, Tmax = 0.924k = −9→14
19185 measured reflectionsl = −28→27
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.064Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.189H-atom parameters constrained
S = 1.03 w = 1/[σ2(Fo2) + (0.1061P)2]
where P = (Fo2 + 2Fc2)/3
7358 reflections(Δ/σ)max < 0.001
552 parametersΔρmax = 0.85 e Å−3
74 restraintsΔρmin = −0.43 e Å−3
Crystal data top
[CuFe(C5H5)(C20H14N3)(C12H8N2)](ClO4)2·C2H3NV = 3770.8 (4) Å3
Mr = 900.98Z = 4
Monoclinic, P21/cMo Kα radiation
a = 13.5554 (9) ŵ = 1.15 mm−1
b = 12.1087 (8) ÅT = 295 K
c = 23.1754 (14) Å0.24 × 0.18 × 0.07 mm
β = 97.577 (1)°
Data collection top
Bruker SMART APEX area-detector
diffractometer		7358 independent reflections
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)		4622 reflections with I > 2σ(I)
Tmin = 0.769, Tmax = 0.924Rint = 0.039
19185 measured reflectionsθmax = 26.0°
Refinement top
R[F2 > 2σ(F2)] = 0.064H-atom parameters constrained
wR(F2) = 0.189Δρmax = 0.85 e Å−3
S = 1.03Δρmin = −0.43 e Å−3
7358 reflectionsAbsolute structure: ?
552 parametersFlack parameter: ?
74 restraintsRogers parameter: ?
Special details top

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) top
xyzUiso*/UeqOcc. (<1)
Fe10.56440 (6)0.56049 (6)0.30991 (3)0.0640 (3)
Cu10.79531 (4)0.19291 (4)0.55087 (2)0.0531 (2)
N10.6492 (3)0.1506 (3)0.55239 (15)0.0524 (9)
N20.7317 (3)0.3010 (3)0.49711 (15)0.0495 (9)
N30.9173 (3)0.2550 (3)0.51690 (16)0.0562 (10)
N40.8606 (3)0.0866 (3)0.61003 (16)0.0536 (9)
N50.8048 (3)0.2962 (3)0.63236 (16)0.0556 (10)
C10.6120 (4)0.0650 (4)0.5793 (2)0.0597 (12)
H10.65610.01650.60040.072*
C20.5128 (4)0.0462 (4)0.5770 (2)0.0649 (13)
H20.4898−0.01360.59660.078*
C30.4465 (4)0.1170 (4)0.5453 (2)0.0646 (13)
H30.37830.10520.54280.078*
C40.4832 (4)0.2052 (4)0.5174 (2)0.0590 (12)
H40.44000.25470.49630.071*
C50.5846 (3)0.2193 (3)0.52107 (17)0.0468 (10)
C60.6325 (3)0.3096 (3)0.49141 (18)0.0488 (10)
C70.5843 (3)0.3947 (4)0.45853 (19)0.0535 (11)
H70.51530.40030.45430.064*
C80.6406 (4)0.4715 (3)0.43205 (18)0.0528 (11)
C90.7441 (4)0.4569 (4)0.43842 (19)0.0560 (12)
H90.78340.50580.42060.067*
C100.7882 (3)0.3701 (4)0.47106 (18)0.0496 (10)
C110.8954 (3)0.3417 (4)0.48049 (19)0.0533 (11)
C340.8403 (3)0.2321 (4)0.67855 (19)0.0504 (11)
C120.9674 (4)0.3933 (4)0.4545 (2)0.0660 (13)
H120.95140.45330.43000.079*
C131.0637 (4)0.3555 (5)0.4648 (2)0.0731 (15)
H131.11330.38970.44720.088*
C141.0864 (4)0.2673 (5)0.5012 (3)0.0746 (15)
H141.15120.24070.50840.090*
C151.0110 (4)0.2186 (4)0.5272 (2)0.0643 (13)
H151.02590.15930.55230.077*
C160.5928 (4)0.5633 (4)0.3980 (2)0.0560 (12)
C170.6429 (4)0.6521 (4)0.3735 (2)0.0637 (13)
H170.71130.66390.37810.076*
C180.5702 (4)0.7185 (4)0.3411 (2)0.0701 (14)
H180.58250.78200.32070.084*
C190.4771 (4)0.6732 (4)0.3449 (2)0.0670 (14)
H190.41640.70110.32750.080*
C200.4907 (4)0.5772 (4)0.3798 (2)0.0606 (12)
H200.44040.53090.38910.073*
C210.6119 (11)0.4136 (8)0.2807 (4)0.132 (4)
H210.64680.35900.30300.159*
C220.6541 (7)0.5022 (11)0.2534 (5)0.127 (3)
H220.72530.51740.25450.152*
C230.5772 (10)0.5624 (7)0.2238 (3)0.119 (3)
H230.58360.62540.20170.143*
C240.4883 (6)0.5122 (10)0.2330 (3)0.116 (3)
H240.42480.53530.21770.139*
C250.5113 (10)0.4214 (8)0.2689 (4)0.123 (3)
H250.46560.37400.28260.148*
C260.8881 (4)−0.0146 (4)0.5985 (2)0.0657 (13)
H260.8796−0.03910.56010.079*
C270.9297 (4)−0.0862 (4)0.6426 (3)0.0705 (15)
H270.9495−0.15680.63340.085*
C280.9409 (4)−0.0520 (4)0.6987 (2)0.0666 (14)
H280.9675−0.09990.72810.080*
C290.9130 (4)0.0542 (4)0.7128 (2)0.0586 (12)
C300.8712 (3)0.1215 (4)0.66610 (19)0.0513 (11)
C310.9213 (4)0.0969 (5)0.7707 (2)0.0726 (15)
H310.95030.05350.80150.087*
C320.8885 (4)0.1977 (5)0.7818 (2)0.0738 (15)
H320.89340.22220.82010.089*
C330.8464 (4)0.2678 (4)0.7364 (2)0.0611 (12)
C350.8131 (4)0.3765 (5)0.7455 (2)0.0759 (15)
H350.81540.40430.78300.091*
C360.7776 (5)0.4401 (4)0.6987 (3)0.0792 (16)
H360.75420.51110.70410.095*
C370.7767 (4)0.3976 (4)0.6424 (2)0.0649 (13)
H370.75540.44300.61090.078*
N60.0763 (5)0.3621 (5)0.6460 (3)0.113 (2)
Cl20.29184 (12)0.20991 (13)0.88974 (7)0.0857 (5)
O50.3650 (7)0.2111 (8)0.8565 (4)0.246 (5)
O60.2824 (4)0.3091 (4)0.9187 (3)0.141 (2)
O70.1973 (4)0.1838 (4)0.8571 (2)0.1275 (19)
O80.3153 (4)0.1247 (3)0.9304 (2)0.1123 (16)
C380.1646 (7)0.2120 (7)0.7127 (3)0.122 (3)
H38A0.23390.23060.72100.183*
H38B0.15780.14140.69380.183*
H38C0.13600.20880.74840.183*
C390.1138 (6)0.2951 (6)0.6751 (3)0.0882 (19)
Cl10.79250 (11)0.04474 (12)0.41104 (6)0.0730 (4)
O10.8078 (9)0.0235 (9)0.4721 (3)0.092 (4)0.497 (10)
O20.8610 (8)0.1286 (8)0.3996 (4)0.104 (4)0.497 (10)
O30.6987 (7)0.0976 (10)0.3933 (5)0.149 (5)0.497 (10)
O40.7975 (11)−0.0533 (8)0.3809 (5)0.150 (5)0.497 (10)
O1'0.7641 (8)0.0434 (9)0.4675 (3)0.078 (3)0.503 (10)
O4'0.8813 (8)−0.0103 (11)0.4016 (6)0.173 (6)0.503 (10)
O2'0.8038 (10)0.1583 (6)0.3941 (5)0.119 (4)0.503 (10)
O3'0.7185 (7)−0.0064 (8)0.3701 (4)0.108 (4)0.503 (10)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Fe10.0775 (5)0.0658 (5)0.0484 (4)0.0035 (4)0.0073 (4)0.0001 (3)
Cu10.0563 (4)0.0574 (4)0.0447 (3)0.0038 (3)0.0040 (3)0.0058 (2)
N10.062 (2)0.054 (2)0.041 (2)−0.0043 (18)0.0081 (18)0.0020 (17)
N20.056 (2)0.053 (2)0.0395 (19)−0.0003 (17)0.0072 (17)0.0025 (16)
N30.053 (2)0.065 (2)0.051 (2)−0.0010 (19)0.0058 (18)−0.0063 (19)
N40.053 (2)0.056 (2)0.052 (2)0.0048 (18)0.0066 (18)0.0005 (18)
N50.060 (2)0.056 (2)0.050 (2)0.0045 (18)0.0024 (18)0.0033 (18)
C10.078 (4)0.052 (3)0.050 (3)0.001 (2)0.011 (2)0.010 (2)
C20.074 (4)0.064 (3)0.059 (3)−0.015 (3)0.018 (3)0.007 (2)
C30.064 (3)0.077 (3)0.055 (3)−0.017 (3)0.015 (2)0.007 (3)
C40.062 (3)0.065 (3)0.051 (3)−0.001 (2)0.008 (2)0.008 (2)
C50.054 (3)0.051 (2)0.036 (2)−0.002 (2)0.0043 (19)0.0011 (18)
C60.054 (3)0.052 (3)0.040 (2)−0.003 (2)0.0040 (19)−0.0005 (19)
C70.053 (3)0.056 (3)0.050 (3)−0.002 (2)0.003 (2)0.007 (2)
C80.067 (3)0.047 (2)0.042 (2)−0.004 (2)0.003 (2)0.002 (2)
C90.069 (3)0.052 (3)0.048 (3)−0.007 (2)0.010 (2)0.005 (2)
C100.052 (3)0.056 (3)0.041 (2)−0.008 (2)0.009 (2)−0.002 (2)
C110.057 (3)0.054 (3)0.049 (3)−0.005 (2)0.008 (2)−0.008 (2)
C340.053 (3)0.049 (2)0.049 (3)−0.004 (2)0.006 (2)0.003 (2)
C120.072 (4)0.064 (3)0.065 (3)−0.008 (3)0.018 (3)−0.007 (3)
C130.056 (3)0.087 (4)0.081 (4)−0.011 (3)0.027 (3)−0.019 (3)
C140.055 (3)0.084 (4)0.085 (4)0.011 (3)0.011 (3)−0.016 (3)
C150.057 (3)0.071 (3)0.064 (3)0.005 (3)0.007 (3)−0.014 (3)
C160.068 (3)0.051 (3)0.049 (3)−0.001 (2)0.008 (2)0.001 (2)
C170.072 (3)0.059 (3)0.060 (3)−0.007 (3)0.008 (3)0.011 (2)
C180.091 (4)0.055 (3)0.063 (3)0.004 (3)0.004 (3)0.013 (2)
C190.078 (4)0.062 (3)0.060 (3)0.013 (3)0.004 (3)0.005 (2)
C200.072 (3)0.055 (3)0.055 (3)0.006 (2)0.009 (2)0.003 (2)
C210.186 (11)0.109 (7)0.097 (6)0.053 (7)0.001 (7)−0.034 (5)
C220.111 (6)0.159 (9)0.119 (7)−0.005 (7)0.044 (6)−0.057 (7)
C230.188 (10)0.119 (6)0.056 (4)0.012 (7)0.036 (5)0.001 (4)
C240.107 (6)0.173 (9)0.062 (4)0.017 (6)−0.013 (4)−0.036 (5)
C250.181 (10)0.108 (6)0.084 (6)−0.046 (6)0.029 (6)−0.039 (5)
C260.070 (3)0.063 (3)0.064 (3)0.007 (3)0.007 (3)−0.006 (3)
C270.070 (3)0.058 (3)0.083 (4)0.014 (3)0.008 (3)0.009 (3)
C280.059 (3)0.070 (3)0.069 (4)0.005 (3)0.003 (3)0.019 (3)
C290.061 (3)0.062 (3)0.052 (3)−0.001 (2)0.002 (2)0.011 (2)
C300.050 (3)0.053 (3)0.050 (3)−0.003 (2)0.004 (2)0.002 (2)
C310.081 (4)0.084 (4)0.050 (3)−0.001 (3)−0.003 (3)0.016 (3)
C320.088 (4)0.087 (4)0.045 (3)−0.011 (3)0.007 (3)−0.003 (3)
C330.064 (3)0.067 (3)0.051 (3)−0.007 (2)0.005 (2)−0.001 (2)
C350.092 (4)0.075 (4)0.061 (3)0.002 (3)0.011 (3)−0.020 (3)
C360.098 (4)0.060 (3)0.079 (4)0.006 (3)0.010 (3)−0.016 (3)
C370.072 (3)0.056 (3)0.065 (3)0.005 (3)0.004 (3)−0.002 (2)
N60.138 (6)0.103 (5)0.095 (5)−0.013 (4)0.006 (4)−0.019 (4)
Cl20.0875 (11)0.0783 (10)0.0941 (11)0.0097 (8)0.0218 (9)−0.0006 (8)
O50.219 (8)0.275 (10)0.285 (9)0.055 (7)0.189 (8)0.112 (8)
O60.116 (4)0.085 (3)0.208 (6)0.023 (3)−0.037 (4)−0.043 (3)
O70.140 (4)0.136 (4)0.094 (3)0.017 (3)−0.032 (3)−0.027 (3)
O80.123 (4)0.075 (3)0.129 (4)−0.014 (3)−0.020 (3)0.012 (3)
C380.140 (7)0.124 (6)0.105 (6)−0.013 (5)0.028 (5)0.007 (5)
C390.107 (5)0.094 (5)0.067 (4)−0.019 (4)0.026 (4)−0.026 (4)
Cl10.0828 (9)0.0817 (9)0.0562 (7)−0.0047 (7)0.0158 (7)−0.0018 (6)
O10.098 (5)0.100 (5)0.075 (5)0.012 (4)0.003 (4)0.012 (4)
O20.094 (5)0.122 (6)0.099 (5)−0.022 (4)0.030 (4)0.003 (4)
O30.138 (7)0.161 (7)0.146 (7)0.012 (5)0.007 (4)0.001 (5)
O40.170 (7)0.140 (6)0.140 (6)0.009 (5)0.018 (5)−0.031 (4)
O1'0.087 (5)0.090 (5)0.062 (4)−0.011 (4)0.025 (3)0.001 (3)
O4'0.155 (7)0.181 (7)0.187 (7)0.018 (5)0.036 (5)0.003 (5)
O2'0.140 (6)0.111 (5)0.107 (5)0.005 (4)0.021 (4)0.013 (4)
O3'0.109 (5)0.124 (6)0.087 (5)−0.018 (4)−0.001 (4)−0.015 (4)
Geometric parameters (Å, °) top
Fe1—C252.020 (7)C16—C171.429 (6)
Fe1—C202.021 (5)C17—C181.409 (7)
Fe1—C232.025 (7)C17—H170.9300
Fe1—C242.025 (6)C18—C191.390 (8)
Fe1—C162.028 (5)C18—H180.9300
Fe1—C222.028 (8)C19—C201.414 (6)
Fe1—C172.030 (5)C19—H190.9300
Fe1—C212.038 (8)C20—H200.9300
Fe1—C182.043 (5)C21—C251.358 (12)
Fe1—C192.043 (5)C21—C221.405 (13)
Cu1—N21.930 (3)C21—H210.9300
Cu1—N42.000 (4)C22—C231.378 (12)
Cu1—N12.051 (4)C22—H220.9800
Cu1—N32.064 (4)C23—C241.390 (11)
Cu1—N52.254 (4)C23—H230.9300
Cu1—O12.766 (11)C24—C251.390 (11)
N1—C11.341 (6)C24—H240.9300
N1—C51.348 (5)C25—H250.9300
N2—C101.331 (5)C26—C271.400 (7)
N2—C61.339 (6)C26—H260.9300
N3—C151.336 (6)C27—C281.354 (7)
N3—C111.355 (6)C27—H270.9300
N4—C261.319 (6)C28—C291.392 (7)
N4—C301.356 (6)C28—H280.9300
N5—C371.316 (6)C29—C301.412 (6)
N5—C341.358 (5)C29—C311.430 (7)
C1—C21.359 (7)C31—C321.335 (7)
C1—H10.9300C31—H310.9300
C2—C31.382 (7)C32—C331.412 (7)
C2—H20.9300C32—H320.9300
C3—C41.375 (6)C33—C351.417 (7)
C3—H30.9300C35—C361.365 (7)
C4—C51.377 (6)C35—H350.9300
C4—H40.9300C36—C371.400 (7)
C5—C61.485 (6)C36—H360.9300
C6—C71.392 (6)C37—H370.9300
C7—C81.396 (6)N6—C391.131 (8)
C7—H70.9300Cl2—O51.333 (7)
C8—C91.403 (7)Cl2—O61.390 (5)
C8—C161.464 (6)Cl2—O81.404 (4)
C9—C101.384 (6)Cl2—O71.435 (5)
C9—H90.9300C38—C391.447 (10)
C10—C111.480 (6)C38—H38A0.9600
C11—C121.364 (7)C38—H38B0.9600
C34—C331.401 (6)C38—H38C0.9600
C34—C301.443 (6)Cl1—O41.384 (7)
C12—C131.375 (7)Cl1—O1'1.413 (6)
C12—H120.9300Cl1—O4'1.418 (8)
C13—C141.370 (8)Cl1—O21.424 (7)
C13—H130.9300Cl1—O11.427 (7)
C14—C151.384 (8)Cl1—O3'1.429 (6)
C14—H140.9300Cl1—O31.434 (7)
C15—H150.9300Cl1—O2'1.443 (7)
C16—C201.403 (7)
C25—Fe1—C20106.1 (3)C8—C16—Fe1122.8 (3)
C25—Fe1—C2367.5 (3)C18—C17—C16107.7 (5)
C20—Fe1—C23154.6 (4)C18—C17—Fe170.2 (3)
C25—Fe1—C2440.2 (3)C16—C17—Fe169.3 (3)
C20—Fe1—C24119.1 (3)C18—C17—H17126.1
C23—Fe1—C2440.1 (3)C16—C17—H17126.1
C25—Fe1—C16119.8 (3)Fe1—C17—H17125.9
C20—Fe1—C1640.53 (19)C19—C18—C17108.6 (4)
C23—Fe1—C16164.2 (4)C19—C18—Fe170.1 (3)
C24—Fe1—C16154.0 (4)C17—C18—Fe169.3 (3)
C25—Fe1—C2267.2 (4)C19—C18—H18125.7
C20—Fe1—C22162.5 (5)C17—C18—H18125.7
C23—Fe1—C2239.8 (3)Fe1—C18—H18126.5
C24—Fe1—C2267.0 (3)C18—C19—C20108.0 (5)
C16—Fe1—C22127.3 (4)C18—C19—Fe170.1 (3)
C25—Fe1—C17156.6 (4)C20—C19—Fe168.8 (3)
C20—Fe1—C1768.3 (2)C18—C19—H19126.0
C23—Fe1—C17127.2 (4)C20—C19—H19126.0
C24—Fe1—C17162.6 (4)Fe1—C19—H19126.6
C16—Fe1—C1741.22 (18)C16—C20—C19108.7 (5)
C22—Fe1—C17110.9 (3)C16—C20—Fe170.0 (3)
C25—Fe1—C2139.1 (3)C19—C20—Fe170.5 (3)
C20—Fe1—C21124.4 (4)C16—C20—H20125.7
C23—Fe1—C2167.1 (4)C19—C20—H20125.7
C24—Fe1—C2166.5 (3)Fe1—C20—H20125.5
C16—Fe1—C21108.9 (3)C25—C21—C22108.4 (9)
C22—Fe1—C2140.4 (4)C25—C21—Fe169.7 (5)
C17—Fe1—C21124.1 (4)C22—C21—Fe169.4 (5)
C25—Fe1—C18160.5 (4)C25—C21—H21125.8
C20—Fe1—C1867.8 (2)C22—C21—H21125.8
C23—Fe1—C18109.5 (3)Fe1—C21—H21126.6
C24—Fe1—C18125.0 (3)C23—C22—C21107.5 (9)
C16—Fe1—C1868.54 (19)C23—C22—Fe170.0 (5)
C22—Fe1—C18123.8 (4)C21—C22—Fe170.2 (5)
C17—Fe1—C1840.48 (19)C23—C22—H22126.2
C21—Fe1—C18159.4 (5)C21—C22—H22126.2
C25—Fe1—C19123.7 (4)Fe1—C22—H22126.2
C20—Fe1—C1940.72 (19)C22—C23—C24107.9 (8)
C23—Fe1—C19120.8 (3)C22—C23—Fe170.2 (4)
C24—Fe1—C19106.7 (3)C24—C23—Fe169.9 (4)
C16—Fe1—C1968.42 (19)C22—C23—H23126.0
C22—Fe1—C19156.5 (5)C24—C23—H23126.0
C17—Fe1—C1967.8 (2)Fe1—C23—H23125.4
C21—Fe1—C19160.1 (5)C25—C24—C23107.9 (8)
C18—Fe1—C1939.8 (2)C25—C24—Fe169.7 (4)
N2—Cu1—N4176.93 (15)C23—C24—Fe169.9 (4)
N2—Cu1—N180.23 (15)C25—C24—H24126.1
N4—Cu1—N199.71 (15)C23—C24—H24126.1
N2—Cu1—N379.55 (16)Fe1—C24—H24125.9
N4—Cu1—N3101.06 (16)C21—C25—C24108.4 (9)
N1—Cu1—N3157.13 (14)C21—C25—Fe171.2 (5)
N2—Cu1—N597.81 (14)C24—C25—Fe170.1 (4)
N4—Cu1—N579.12 (14)C21—C25—H25125.8
N1—Cu1—N594.17 (14)C24—C25—H25125.8
N3—Cu1—N599.06 (14)Fe1—C25—H25124.5
N2—Cu1—O197.9 (2)N4—C26—C27121.6 (5)
N4—Cu1—O185.1 (2)N4—C26—H26119.2
N1—Cu1—O188.2 (3)C27—C26—H26119.2
N3—Cu1—O184.1 (3)C28—C27—C26119.7 (5)
N5—Cu1—O1164.3 (2)C28—C27—H27120.1
C1—N1—C5118.0 (4)C26—C27—H27120.1
C1—N1—Cu1128.6 (3)C27—C28—C29120.5 (5)
C5—N1—Cu1113.4 (3)C27—C28—H28119.8
C10—N2—C6122.5 (4)C29—C28—H28119.8
C10—N2—Cu1119.0 (3)C28—C29—C30116.6 (4)
C6—N2—Cu1118.3 (3)C28—C29—C31124.3 (5)
C15—N3—C11119.4 (4)C30—C29—C31119.0 (5)
C15—N3—Cu1127.1 (4)N4—C30—C29122.4 (4)
C11—N3—Cu1113.5 (3)N4—C30—C34118.9 (4)
C26—N4—C30119.1 (4)C29—C30—C34118.7 (4)
C26—N4—Cu1124.8 (3)C32—C31—C29121.6 (5)
C30—N4—Cu1116.0 (3)C32—C31—H31119.2
C37—N5—C34118.3 (4)C29—C31—H31119.2
C37—N5—Cu1132.9 (3)C31—C32—C33121.2 (5)
C34—N5—Cu1108.6 (3)C31—C32—H32119.4
N1—C1—C2122.9 (5)C33—C32—H32119.4
N1—C1—H1118.6C34—C33—C32119.7 (5)
C2—C1—H1118.6C34—C33—C35116.7 (4)
C1—C2—C3119.1 (4)C32—C33—C35123.6 (5)
C1—C2—H2120.4C36—C35—C33119.5 (5)
C3—C2—H2120.4C36—C35—H35120.3
C4—C3—C2118.8 (5)C33—C35—H35120.3
C4—C3—H3120.6C35—C36—C37119.5 (5)
C2—C3—H3120.6C35—C36—H36120.3
C3—C4—C5119.2 (5)C37—C36—H36120.3
C3—C4—H4120.4N5—C37—C36122.7 (5)
C5—C4—H4120.4N5—C37—H37118.6
N1—C5—C4121.9 (4)C36—C37—H37118.6
N1—C5—C6114.3 (4)O5—Cl2—O6113.1 (6)
C4—C5—C6123.8 (4)O5—Cl2—O8106.0 (4)
N2—C6—C7120.3 (4)O6—Cl2—O8109.7 (3)
N2—C6—C5113.1 (4)O5—Cl2—O7112.3 (6)
C7—C6—C5126.6 (4)O6—Cl2—O7108.2 (3)
C6—C7—C8119.3 (4)O8—Cl2—O7107.4 (3)
C6—C7—H7120.3C39—C38—H38A109.5
C8—C7—H7120.3C39—C38—H38B109.5
C7—C8—C9117.8 (4)H38A—C38—H38B109.5
C7—C8—C16121.0 (4)C39—C38—H38C109.5
C9—C8—C16121.2 (4)H38A—C38—H38C109.5
C10—C9—C8120.5 (4)H38B—C38—H38C109.5
C10—C9—H9119.8N6—C39—C38178.0 (8)
C8—C9—H9119.8O4—Cl1—O1'119.7 (7)
N2—C10—C9119.5 (4)O4—Cl1—O4'54.5 (7)
N2—C10—C11113.5 (4)O1'—Cl1—O4'118.5 (7)
C9—C10—C11127.0 (4)O4—Cl1—O2116.2 (7)
N3—C11—C12121.3 (4)O1'—Cl1—O2116.4 (6)
N3—C11—C10113.7 (4)O4'—Cl1—O273.7 (7)
C12—C11—C10125.0 (4)O4—Cl1—O1109.7 (7)
N5—C34—C33123.3 (4)O4'—Cl1—O193.0 (7)
N5—C34—C30117.0 (4)O2—Cl1—O1107.5 (6)
C33—C34—C30119.7 (4)O4—Cl1—O3'50.9 (6)
C11—C12—C13119.3 (5)O1'—Cl1—O3'111.0 (6)
C11—C12—H12120.4O4'—Cl1—O3'103.3 (7)
C13—C12—H12120.4O2—Cl1—O3'127.1 (6)
C14—C13—C12119.9 (5)O1—Cl1—O3'125.3 (6)
C14—C13—H13120.1O4—Cl1—O3109.8 (7)
C12—C13—H13120.1O1'—Cl1—O386.0 (7)
C13—C14—C15118.7 (5)O4'—Cl1—O3154.7 (7)
C13—C14—H14120.6O2—Cl1—O3101.8 (6)
C15—C14—H14120.6O1—Cl1—O3111.8 (7)
N3—C15—C14121.5 (5)O3'—Cl1—O359.0 (6)
N3—C15—H15119.3O4—Cl1—O2'131.7 (7)
C14—C15—H15119.3O1'—Cl1—O2'108.4 (6)
C20—C16—C17107.0 (4)O4'—Cl1—O2'106.4 (7)
C20—C16—C8127.0 (4)O1—Cl1—O2'115.8 (7)
C17—C16—C8125.9 (4)O3'—Cl1—O2'108.8 (6)
C20—C16—Fe169.5 (3)O3—Cl1—O2'67.6 (7)
C17—C16—Fe169.5 (3)Cl1—O1—Cu1120.5 (6)
N2—Cu1—N1—C1174.5 (4)C22—Fe1—C19—C18−54.4 (8)
N4—Cu1—N1—C1−8.7 (4)C17—Fe1—C19—C1837.4 (3)
N3—Cu1—N1—C1146.3 (4)C21—Fe1—C19—C18167.9 (8)
N5—Cu1—N1—C1−88.3 (4)C25—Fe1—C19—C2074.7 (5)
O1—Cu1—N1—C176.1 (4)C23—Fe1—C19—C20156.8 (5)
N2—Cu1—N1—C5−4.6 (3)C24—Fe1—C19—C20115.4 (5)
N4—Cu1—N1—C5172.2 (3)C16—Fe1—C19—C20−37.5 (3)
N3—Cu1—N1—C5−32.8 (5)C22—Fe1—C19—C20−173.9 (7)
N5—Cu1—N1—C592.6 (3)C17—Fe1—C19—C20−82.1 (3)
O1—Cu1—N1—C5−103.0 (3)C21—Fe1—C19—C2048.5 (10)
N1—Cu1—N2—C10−177.6 (3)C18—Fe1—C19—C20−119.5 (4)
N3—Cu1—N2—C10−8.3 (3)C17—C16—C20—C19−0.5 (5)
N5—Cu1—N2—C1089.5 (3)C8—C16—C20—C19−176.3 (4)
O1—Cu1—N2—C10−90.7 (4)Fe1—C16—C20—C19−60.1 (3)
N1—Cu1—N2—C68.1 (3)C17—C16—C20—Fe159.6 (3)
N3—Cu1—N2—C6177.4 (3)C8—C16—C20—Fe1−116.2 (5)
N5—Cu1—N2—C6−84.8 (3)C18—C19—C20—C160.4 (6)
O1—Cu1—N2—C694.9 (4)Fe1—C19—C20—C1659.8 (3)
N2—Cu1—N3—C15−174.3 (4)C18—C19—C20—Fe1−59.4 (4)
N4—Cu1—N3—C158.7 (4)C25—Fe1—C20—C16117.2 (5)
N1—Cu1—N3—C15−146.1 (4)C23—Fe1—C20—C16−171.5 (6)
N5—Cu1—N3—C1589.3 (4)C24—Fe1—C20—C16158.7 (4)
O1—Cu1—N3—C15−75.1 (4)C22—Fe1—C20—C1652.4 (11)
N2—Cu1—N3—C115.5 (3)C17—Fe1—C20—C16−38.7 (3)
N4—Cu1—N3—C11−171.4 (3)C21—Fe1—C20—C1678.6 (5)
N1—Cu1—N3—C1133.8 (6)C18—Fe1—C20—C16−82.4 (3)
N5—Cu1—N3—C11−90.8 (3)C19—Fe1—C20—C16−119.4 (4)
O1—Cu1—N3—C11104.8 (3)C25—Fe1—C20—C19−123.3 (5)
N1—Cu1—N4—C2688.2 (4)C23—Fe1—C20—C19−52.0 (8)
N3—Cu1—N4—C26−82.1 (4)C24—Fe1—C20—C19−81.9 (5)
N5—Cu1—N4—C26−179.4 (4)C16—Fe1—C20—C19119.4 (4)
O1—Cu1—N4—C260.9 (5)C22—Fe1—C20—C19171.8 (9)
N1—Cu1—N4—C30−88.0 (3)C17—Fe1—C20—C1980.8 (3)
N3—Cu1—N4—C30101.7 (3)C21—Fe1—C20—C19−162.0 (5)
N5—Cu1—N4—C304.4 (3)C18—Fe1—C20—C1937.0 (3)
O1—Cu1—N4—C30−175.4 (4)C20—Fe1—C21—C2572.0 (7)
N2—Cu1—N5—C370.3 (5)C23—Fe1—C21—C25−82.1 (6)
N4—Cu1—N5—C37−179.5 (5)C24—Fe1—C21—C25−38.2 (6)
N1—Cu1—N5—C37−80.4 (5)C16—Fe1—C21—C25114.3 (6)
N3—Cu1—N5—C3780.9 (5)C22—Fe1—C21—C25−119.8 (9)
O1—Cu1—N5—C37−178.7 (10)C17—Fe1—C21—C25157.6 (5)
N2—Cu1—N5—C34174.5 (3)C18—Fe1—C21—C25−166.6 (7)
N4—Cu1—N5—C34−5.3 (3)C19—Fe1—C21—C2535.7 (12)
N1—Cu1—N5—C3493.8 (3)C25—Fe1—C21—C22119.8 (9)
N3—Cu1—N5—C34−104.9 (3)C20—Fe1—C21—C22−168.2 (5)
O1—Cu1—N5—C34−4.5 (11)C23—Fe1—C21—C2237.8 (6)
C5—N1—C1—C2−1.2 (7)C24—Fe1—C21—C2281.6 (6)
Cu1—N1—C1—C2179.8 (4)C16—Fe1—C21—C22−125.9 (6)
N1—C1—C2—C30.7 (8)C17—Fe1—C21—C22−82.6 (6)
C1—C2—C3—C4−0.7 (7)C18—Fe1—C21—C22−46.8 (11)
C2—C3—C4—C51.1 (7)C19—Fe1—C21—C22155.5 (8)
C1—N1—C5—C41.6 (6)C25—C21—C22—C23−1.3 (9)
Cu1—N1—C5—C4−179.2 (3)Fe1—C21—C22—C23−60.3 (5)
C1—N1—C5—C6−178.2 (4)C25—C21—C22—Fe159.0 (6)
Cu1—N1—C5—C60.9 (4)C25—Fe1—C22—C2381.7 (6)
C3—C4—C5—N1−1.6 (7)C20—Fe1—C22—C23152.3 (9)
C3—C4—C5—C6178.2 (4)C24—Fe1—C22—C2337.9 (5)
C10—N2—C6—C7−1.7 (6)C16—Fe1—C22—C23−167.3 (5)
Cu1—N2—C6—C7172.4 (3)C17—Fe1—C22—C23−123.5 (6)
C10—N2—C6—C5176.1 (4)C21—Fe1—C22—C23118.1 (8)
Cu1—N2—C6—C5−9.7 (5)C18—Fe1—C22—C23−79.9 (6)
N1—C5—C6—N25.4 (5)C19—Fe1—C22—C23−41.1 (11)
C4—C5—C6—N2−174.5 (4)C25—Fe1—C22—C21−36.4 (5)
N1—C5—C6—C7−176.9 (4)C20—Fe1—C22—C2134.2 (13)
C4—C5—C6—C73.2 (7)C23—Fe1—C22—C21−118.1 (8)
N2—C6—C7—C8−0.6 (6)C24—Fe1—C22—C21−80.2 (6)
C5—C6—C7—C8−178.1 (4)C16—Fe1—C22—C2174.5 (7)
C6—C7—C8—C92.0 (6)C17—Fe1—C22—C21118.4 (6)
C6—C7—C8—C16−178.9 (4)C18—Fe1—C22—C21162.0 (5)
C7—C8—C9—C10−1.4 (7)C19—Fe1—C22—C21−159.2 (7)
C16—C8—C9—C10179.5 (4)C21—C22—C23—C240.4 (9)
C6—N2—C10—C92.4 (6)Fe1—C22—C23—C24−60.1 (5)
Cu1—N2—C10—C9−171.7 (3)C21—C22—C23—Fe160.4 (6)
C6—N2—C10—C11−176.7 (4)C25—Fe1—C23—C22−80.9 (6)
Cu1—N2—C10—C119.3 (5)C20—Fe1—C23—C22−161.0 (7)
C8—C9—C10—N2−0.8 (6)C24—Fe1—C23—C22−118.6 (8)
C8—C9—C10—C11178.1 (4)C16—Fe1—C23—C2239.8 (13)
C15—N3—C11—C12−0.6 (6)C17—Fe1—C23—C2277.9 (7)
Cu1—N3—C11—C12179.5 (3)C21—Fe1—C23—C22−38.4 (6)
C15—N3—C11—C10177.5 (4)C18—Fe1—C23—C22119.8 (6)
Cu1—N3—C11—C10−2.4 (5)C19—Fe1—C23—C22162.2 (6)
N2—C10—C11—N3−4.0 (5)C25—Fe1—C23—C2437.7 (5)
C9—C10—C11—N3177.0 (4)C20—Fe1—C23—C24−42.4 (9)
N2—C10—C11—C12174.0 (4)C16—Fe1—C23—C24158.4 (9)
C9—C10—C11—C12−5.0 (7)C22—Fe1—C23—C24118.6 (8)
C37—N5—C34—C331.4 (7)C17—Fe1—C23—C24−163.5 (5)
Cu1—N5—C34—C33−173.8 (4)C21—Fe1—C23—C2480.2 (6)
C37—N5—C34—C30−179.5 (4)C18—Fe1—C23—C24−121.6 (6)
Cu1—N5—C34—C305.3 (5)C19—Fe1—C23—C24−79.2 (6)
N3—C11—C12—C130.9 (7)C22—C23—C24—C250.6 (9)
C10—C11—C12—C13−176.9 (4)Fe1—C23—C24—C25−59.6 (5)
C11—C12—C13—C14−0.4 (8)C22—C23—C24—Fe160.2 (5)
C12—C13—C14—C15−0.4 (8)C20—Fe1—C24—C25−80.4 (6)
C11—N3—C15—C14−0.3 (7)C23—Fe1—C24—C25118.9 (8)
Cu1—N3—C15—C14179.6 (4)C16—Fe1—C24—C25−47.9 (9)
C13—C14—C15—N30.8 (8)C22—Fe1—C24—C2581.3 (6)
C7—C8—C16—C20−10.9 (7)C17—Fe1—C24—C25168.2 (8)
C9—C8—C16—C20168.1 (5)C21—Fe1—C24—C2537.2 (6)
C7—C8—C16—C17174.0 (5)C18—Fe1—C24—C25−162.5 (6)
C9—C8—C16—C17−7.0 (7)C19—Fe1—C24—C25−122.8 (6)
C7—C8—C16—Fe1−98.8 (5)C25—Fe1—C24—C23−118.9 (8)
C9—C8—C16—Fe180.2 (5)C20—Fe1—C24—C23160.7 (5)
C25—Fe1—C16—C20−79.8 (5)C16—Fe1—C24—C23−166.8 (6)
C23—Fe1—C16—C20166.5 (10)C22—Fe1—C24—C23−37.6 (5)
C24—Fe1—C16—C20−46.3 (7)C17—Fe1—C24—C2349.2 (11)
C22—Fe1—C16—C20−162.6 (5)C21—Fe1—C24—C23−81.7 (6)
C17—Fe1—C16—C20118.2 (4)C18—Fe1—C24—C2378.6 (6)
C21—Fe1—C16—C20−121.2 (5)C19—Fe1—C24—C23118.3 (6)
C18—Fe1—C16—C2080.6 (3)C22—C21—C25—C241.7 (9)
C19—Fe1—C16—C2037.7 (3)Fe1—C21—C25—C2460.6 (5)
C25—Fe1—C16—C17162.0 (5)C22—C21—C25—Fe1−58.8 (6)
C20—Fe1—C16—C17−118.2 (4)C23—C24—C25—C21−1.5 (9)
C23—Fe1—C16—C1748.2 (11)Fe1—C24—C25—C21−61.2 (5)
C24—Fe1—C16—C17−164.6 (6)C23—C24—C25—Fe159.7 (5)
C22—Fe1—C16—C1779.2 (5)C20—Fe1—C25—C21−125.2 (7)
C21—Fe1—C16—C17120.5 (5)C23—Fe1—C25—C2180.8 (6)
C18—Fe1—C16—C17−37.7 (3)C24—Fe1—C25—C21118.5 (9)
C19—Fe1—C16—C17−80.6 (3)C16—Fe1—C25—C21−83.5 (7)
C25—Fe1—C16—C841.8 (6)C22—Fe1—C25—C2137.6 (6)
C20—Fe1—C16—C8121.6 (5)C17—Fe1—C25—C21−52.6 (11)
C23—Fe1—C16—C8−72.0 (11)C18—Fe1—C25—C21165.9 (8)
C24—Fe1—C16—C875.2 (8)C19—Fe1—C25—C21−166.2 (6)
C22—Fe1—C16—C8−41.0 (6)C20—Fe1—C25—C24116.3 (6)
C17—Fe1—C16—C8−120.2 (5)C23—Fe1—C25—C24−37.6 (5)
C21—Fe1—C16—C80.3 (6)C16—Fe1—C25—C24158.0 (5)
C18—Fe1—C16—C8−157.9 (5)C22—Fe1—C25—C24−80.9 (6)
C19—Fe1—C16—C8159.2 (4)C17—Fe1—C25—C24−171.1 (6)
C20—C16—C17—C180.4 (6)C21—Fe1—C25—C24−118.5 (9)
C8—C16—C17—C18176.2 (4)C18—Fe1—C25—C2447.4 (11)
Fe1—C16—C17—C1860.0 (4)C19—Fe1—C25—C2475.3 (6)
C20—C16—C17—Fe1−59.6 (3)C30—N4—C26—C27−1.2 (7)
C8—C16—C17—Fe1116.3 (5)Cu1—N4—C26—C27−177.3 (4)
C25—Fe1—C17—C18−161.3 (8)N4—C26—C27—C281.0 (8)
C20—Fe1—C17—C18−80.8 (3)C26—C27—C28—C29−1.1 (8)
C23—Fe1—C17—C1876.0 (5)C27—C28—C29—C301.3 (8)
C24—Fe1—C17—C1838.2 (11)C27—C28—C29—C31179.4 (5)
C16—Fe1—C17—C18−118.8 (5)C26—N4—C30—C291.5 (7)
C22—Fe1—C17—C18118.0 (6)Cu1—N4—C30—C29177.9 (3)
C21—Fe1—C17—C18161.5 (6)C26—N4—C30—C34−179.5 (4)
C19—Fe1—C17—C18−36.7 (3)Cu1—N4—C30—C34−3.1 (5)
C25—Fe1—C17—C16−42.5 (9)C28—C29—C30—N4−1.5 (7)
C20—Fe1—C17—C1638.0 (3)C31—C29—C30—N4−179.7 (5)
C23—Fe1—C17—C16−165.2 (5)C28—C29—C30—C34179.5 (4)
C24—Fe1—C17—C16157.0 (9)C31—C29—C30—C341.2 (7)
C22—Fe1—C17—C16−123.2 (5)N5—C34—C30—N4−2.1 (6)
C21—Fe1—C17—C16−79.7 (6)C33—C34—C30—N4177.0 (4)
C18—Fe1—C17—C16118.8 (5)N5—C34—C30—C29177.0 (4)
C19—Fe1—C17—C1682.1 (3)C33—C34—C30—C29−3.9 (7)
C16—C17—C18—C19−0.1 (6)C28—C29—C31—C32−176.5 (5)
Fe1—C17—C18—C1959.3 (4)C30—C29—C31—C321.6 (8)
C16—C17—C18—Fe1−59.4 (3)C29—C31—C32—C33−1.7 (9)
C25—Fe1—C18—C1937.6 (10)N5—C34—C33—C32−177.1 (4)
C20—Fe1—C18—C19−37.8 (3)C30—C34—C33—C323.9 (7)
C23—Fe1—C18—C19115.1 (5)N5—C34—C33—C350.2 (7)
C24—Fe1—C18—C1973.0 (5)C30—C34—C33—C35−178.9 (4)
C16—Fe1—C18—C19−81.6 (3)C31—C32—C33—C34−1.0 (8)
C22—Fe1—C18—C19157.0 (5)C31—C32—C33—C35−178.1 (6)
C17—Fe1—C18—C19−120.0 (4)C34—C33—C35—C36−0.2 (8)
C21—Fe1—C18—C19−168.3 (9)C32—C33—C35—C36177.0 (5)
C25—Fe1—C18—C17157.6 (8)C33—C35—C36—C37−1.3 (9)
C20—Fe1—C18—C1782.2 (3)C34—N5—C37—C36−3.0 (8)
C23—Fe1—C18—C17−124.9 (5)Cu1—N5—C37—C36170.7 (4)
C24—Fe1—C18—C17−167.0 (4)C35—C36—C37—N53.1 (9)
C16—Fe1—C18—C1738.4 (3)O4—Cl1—O1—Cu1−177.0 (8)
C22—Fe1—C18—C17−83.0 (5)O1'—Cl1—O1—Cu1−58.9 (15)
C21—Fe1—C18—C17−48.3 (10)O4'—Cl1—O1—Cu1129.8 (8)
C19—Fe1—C18—C17120.0 (4)O2—Cl1—O1—Cu155.9 (9)
C17—C18—C19—C20−0.2 (6)O3'—Cl1—O1—Cu1−121.6 (7)
Fe1—C18—C19—C2058.6 (3)O3—Cl1—O1—Cu1−54.9 (9)
C17—C18—C19—Fe1−58.7 (4)O2'—Cl1—O1—Cu119.9 (11)
C25—Fe1—C19—C18−165.8 (4)N2—Cu1—O1—Cl114.4 (8)
C20—Fe1—C19—C18119.5 (4)N4—Cu1—O1—Cl1−165.9 (7)
C23—Fe1—C19—C18−83.7 (5)N1—Cu1—O1—Cl194.2 (7)
C24—Fe1—C19—C18−125.1 (5)N3—Cu1—O1—Cl1−64.2 (7)
C16—Fe1—C19—C1882.0 (3)N5—Cu1—O1—Cl1−166.6 (4)
Table 1
Selected geometric parameters (Å) top
Cu1—N21.930 (3)Cu1—N12.051 (4)
Cu1—N42.000 (4)Cu1—N32.064 (4)
Acknowledgements top

We thank the Construct Program of Key Disciplines in Hunan province and the Foundation of Hunan Province Education Office (grant No. 08 C178) for supporting this study.

references
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