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Acta Cryst. (2009). E65, m8    [ doi:10.1107/S1600536808039949 ]

Dichlorido{[2-(diphenylphosphino)phenyliminomethyl]ferrocene-[kappa]2N,P}palladium(II) dichloromethane hemisolvate

H. Liu and D. Shen

Abstract top

There are two independent PdII complex molecules in the asymmetric unit of the title compound, [PdCl2{Fe(C5H5)(C24H19NP)}]·0.5CH2Cl2. One ferrocenyl ring of one complex molecule is disordered over two sites with half-occupancy for each component. Both PdII cations adopt a distorted square-planar coordination geometry with a bidentate [2-(diphenylphosphino)phenyliminomethyl]ferrocene ligand and two chloride anions.

Comment top

Palladium(II) complexes with iminophosphine bidentate ligands have attracted much attention for their good catalysis such as the Heck reaction (Reddy et al., 2000; Catsoulacos et al., 2003), the Suzuki and Stille coupling reaction (Weng et al., 2004; Koprowski et al., 2002), the copolymerization of CO-ethylene (Reddy et al., 2002). Many of alkanyl- or aryl- substituted iminophosphine ligands and their palladium(II) complexes have been reported, but related studies on ferrocenyl- substituted counterpart are still rare. Recently we synthesed a novel palladium(II) complex with ferrocenyliminophosphine ligand, its crystal structure is presented here.

There are two independent complex molecules in the asymmetric unit of the crystal structure of the compound (Fig. 1), and their molecular geometries are very similar. The PdII atoms adopt distorted square planar geometry, with P, N atoms from the bidentate ferrocenyliminophosphine ligand (L) and two Cl- anions. The N1—Pt1—Cl1 and N2—Pt2—Cl4 bond angles are 174.86 (6)° and 171.66 (6)°, respectively. The ligand L adopts a five-membered chelating ring, and the benzene ring and the cyclopentadienyl ring in a trans-configuration about the C?N bond. The Pd—P, Pd—N and Pd—Cl bond distances (Table 1) are in the normal range (Doherty et al., 2002). The average Pd—Cl bond length trans to the P atoms [Pd1—Cl2 and Pd2—Cl3] is longer than that trans to the N atoms [Pd1—Cl1 and Pd2—Cl4] owing to the stronger trans influence of a tertiary phosphine with respect to an imine.

Related literature top

For general background see: Reddy et al. (2000, 2002); Catsoulacos et al. (2003); Weng et al. (2004); Koprowski et al. (2002); For a related structure, see: Doherty et al. (2002). For the synthesis, see: Gong et al. (2006); Zhang et al. (2006).

Experimental top

Ligand L was prepared by literature method (Zhang et al., 2006; Gong et al., 2006). For the preparation of the compound, a suspension formed by anhydrous lithium chloride (58 mg, 0.135 mmol), anhydrous palladium chloride (120 mg, 0.676 mmol) and 5 ml of methanol was stirred at room temperature until a homogeneous solution was formed, then L (319 mg, 0.676 mmol) dissolved in 20 ml dichloromethane/methanol (1:1, V/V) was added and reacted for 20 h at room temperature. The obtained brown reaction mixture was concentrated in vacuum until a brown red solid formed. The crude browed product was washed for several times with a small amount of ether to afford a brown red solid (334 mg, yield 76%). Single crystals of the compound suitable for X-ray analysis were obtained by slow diffusion of petroleum ether into the CH2Cl2 solution of the compound. Analysis calculated for [PdCl2(C29H24FeNP].0.5(CH2Cl2): C 51.12, H 3.64, N 2.02%; Found: C 51.25, H 3.50, N 2.12%.

Refinement top

All H atoms were positioned geomertrically and treated as riding with C—H = 0.98 Å for cyclopentadienyl rings, C—H = 0.93 Å for benzene rings and C—H = 0.97 Å for methylene, and refined in riding mode with Uiso(H) = 1.2Ueq(C). One ferrocenyl ring (C1—C5) is disorder over two sites, and refined with 0.5 occupancy for each component. Restraint was used for atoms C1—C5 and C1'-C5' to enforce co-planar.

Computing details top

Data collection: SMART (Bruker, 1998); cell refinement: SAINT (Bruker, 1998); data reduction: SAINT (Bruker, 1998); 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 molecular structure of the title compound. Displacement ellipsoids are drawn at 30% probability level, and all hydrogen atoms and the disorder component of C1'-C5' are omitted for clarity.
Dichlorido{[2-(diphenylphosphino)phenyliminomethyl]ferrocene- κ2N,P}palladium(II) dichloromethane hemisolvate top
Crystal data top
[FePd(C5H5)Cl2(C24H19NP)]·0.5CH2Cl2Z = 4
Mr = 693.08F(000) = 1388
Triclinic, P1Dx = 1.650 Mg m−3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 11.7559 (4) ÅCell parameters from 2018 reflections
b = 11.8798 (4) Åθ = 3.1–28.1°
c = 21.8200 (7) ŵ = 1.53 mm−1
α = 76.9672 (4)°T = 293 K
β = 89.117 (1)°Needle, brown yellow
γ = 70.3297 (4)°0.30 × 0.10 × 0.10 mm
V = 2789.51 (16) Å3
Data collection top
Bruker SMART CCD area-detector
diffractometer		12145 independent reflections
Radiation source: fine-focus sealed tube9726 reflections with I > 2σ(I)
graphiteRint = 0.018
φ and ω scansθmax = 28.3°, θmin = 1.8°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)		h = −15→14
Tmin = 0.795, Tmax = 0.868k = −15→15
21205 measured reflectionsl = −29→28
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)] = 0.029Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.076H-atom parameters constrained
S = 1.04 w = 1/[σ2(Fo2) + (0.04P)2 + 0.5P]
where P = (Fo2 + 2Fc2)/3
12145 reflections(Δ/σ)max = 0.001
685 parametersΔρmax = 0.99 e Å−3
4 restraintsΔρmin = −1.04 e Å−3
Crystal data top
[FePd(C5H5)Cl2(C24H19NP)]·0.5CH2Cl2γ = 70.3297 (4)°
Mr = 693.08V = 2789.51 (16) Å3
Triclinic, P1Z = 4
a = 11.7559 (4) ÅMo Kα radiation
b = 11.8798 (4) ŵ = 1.53 mm−1
c = 21.8200 (7) ÅT = 293 K
α = 76.9672 (4)°0.30 × 0.10 × 0.10 mm
β = 89.117 (1)°
Data collection top
Bruker SMART CCD area-detector
diffractometer		12145 independent reflections
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)		9726 reflections with I > 2σ(I)
Tmin = 0.795, Tmax = 0.868Rint = 0.018
21205 measured reflectionsθmax = 28.3°
Refinement top
R[F2 > 2σ(F2)] = 0.029H-atom parameters constrained
wR(F2) = 0.076Δρmax = 0.99 e Å−3
S = 1.04Δρmin = −1.04 e Å−3
12145 reflectionsAbsolute structure: ?
685 parametersFlack parameter: ?
4 restraintsRogers parameter: ?
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*/UeqOcc. (<1)
Pd10.273505 (16)0.847407 (16)0.044514 (8)0.02967 (5)
Fe10.20719 (4)1.27230 (3)0.031690 (18)0.03787 (9)
Cl10.14365 (7)0.75836 (7)0.01696 (3)0.05167 (18)
Cl20.34494 (6)0.87645 (6)−0.05914 (3)0.04191 (15)
P10.24403 (6)0.80204 (6)0.14615 (3)0.03328 (14)
N10.38446 (18)0.92535 (17)0.07718 (9)0.0306 (4)
C10.2739 (6)1.3085 (12)0.1096 (5)0.062 (3)0.50
H1A0.35881.29610.11970.075*0.50
C20.2150 (9)1.2212 (5)0.1297 (3)0.056 (3)0.50
H2A0.25231.13770.15590.067*0.50
C30.0930 (7)1.2753 (11)0.1045 (5)0.061 (3)0.50
H3A0.03111.23620.11070.073*0.50
C40.0765 (8)1.3961 (10)0.0688 (5)0.063 (3)0.50
H4A0.00081.45550.04660.076*0.50
C50.1883 (13)1.4166 (6)0.0720 (5)0.055 (3)0.50
H5A0.20341.49250.05220.065*0.50
C5'0.2536 (9)1.3732 (14)0.0840 (5)0.070 (3)0.50
H5'A0.31991.40610.07660.084*0.50
C1'0.2621 (12)1.2561 (10)0.1217 (5)0.078 (4)0.50
H1'A0.33531.19410.14510.093*0.50
C2'0.1456 (18)1.2452 (10)0.1203 (5)0.076 (5)0.50
H2'A0.12451.17370.14180.091*0.50
C3'0.0650 (6)1.3556 (16)0.0817 (6)0.074 (4)0.50
H3'A−0.02101.37330.07140.089*0.50
C4'0.1318 (13)1.4347 (6)0.0592 (3)0.057 (3)0.50
H4'A0.09971.51690.03110.068*0.50
C60.1426 (3)1.2649 (2)−0.05426 (13)0.0445 (6)
H6A0.05881.3051−0.07200.053*
C70.2345 (3)1.3180 (2)−0.06287 (13)0.0456 (7)
H7A0.22511.4007−0.08770.055*
C80.3405 (3)1.2341 (2)−0.02750 (13)0.0420 (6)
H8A0.41831.2467−0.02490.050*
C90.3152 (2)1.1241 (2)0.00204 (12)0.0342 (5)
C100.1902 (2)1.1461 (2)−0.01455 (12)0.0377 (6)
H10A0.14621.0889−0.00070.045*
C110.3938 (2)1.0313 (2)0.05196 (12)0.0334 (5)
H11A0.45741.04890.06770.040*
C120.2152 (3)0.6612 (2)0.18022 (12)0.0393 (6)
C130.3090 (3)0.5482 (3)0.19411 (13)0.0492 (7)
H13A0.38850.54470.18820.059*
C140.2839 (4)0.4410 (3)0.21673 (15)0.0605 (9)
H14A0.34660.36560.22650.073*
C150.1672 (4)0.4459 (3)0.22469 (16)0.0693 (10)
H15A0.15060.37360.23910.083*
C160.0747 (4)0.5557 (4)0.21176 (18)0.0742 (11)
H16A−0.00430.55770.21780.089*
C170.0974 (3)0.6653 (3)0.18958 (15)0.0548 (8)
H17A0.03400.74020.18120.066*
C180.1299 (2)0.9197 (2)0.17543 (12)0.0383 (6)
C190.0207 (3)0.9843 (3)0.14081 (14)0.0510 (7)
H19A0.00860.97130.10130.061*
C20−0.0708 (3)1.0685 (3)0.16482 (17)0.0646 (9)
H20A−0.14481.11030.14190.078*
C21−0.0520 (3)1.0901 (3)0.22239 (16)0.0622 (9)
H21A−0.11311.14720.23820.075*
C220.0566 (3)1.0277 (3)0.25658 (14)0.0590 (8)
H22A0.06921.04340.29530.071*
C230.1475 (3)0.9418 (3)0.23391 (13)0.0470 (7)
H23A0.22040.89860.25770.056*
C240.3906 (2)0.7893 (2)0.17786 (12)0.0344 (5)
C250.4503 (2)0.8555 (2)0.13659 (11)0.0326 (5)
C260.5635 (2)0.8549 (2)0.15411 (13)0.0394 (6)
H26A0.60310.89870.12650.047*
C270.6162 (3)0.7887 (3)0.21282 (14)0.0485 (7)
H27A0.69270.78660.22460.058*
C280.5565 (3)0.7245 (3)0.25497 (14)0.0498 (7)
H28A0.59270.68130.29490.060*
C290.4451 (3)0.7248 (2)0.23787 (13)0.0444 (6)
H29A0.40540.68210.26620.053*
Pd20.671825 (16)0.134965 (16)0.483672 (8)0.02981 (5)
Fe20.88320 (3)−0.23875 (3)0.422838 (17)0.03519 (9)
Cl30.77691 (6)0.04680 (7)0.58505 (3)0.04380 (16)
Cl40.48418 (6)0.18014 (7)0.52275 (3)0.04880 (17)
P20.59242 (6)0.25219 (6)0.39076 (3)0.03206 (14)
N20.82794 (17)0.09895 (17)0.43592 (9)0.0294 (4)
C300.9100 (3)−0.3508 (3)0.36213 (16)0.0605 (9)
H30A0.9684−0.43460.36930.073*
C310.7909 (4)−0.3189 (4)0.37920 (16)0.0674 (10)
H31A0.7509−0.37620.40010.081*
C320.7377 (3)−0.1902 (4)0.36093 (15)0.0621 (9)
H32A0.6542−0.14200.36690.074*
C330.8234 (3)−0.1438 (3)0.33179 (13)0.0565 (8)
H33A0.8115−0.05680.31410.068*
C340.9324 (3)−0.2443 (3)0.33278 (14)0.0579 (8)
H34A1.0086−0.23940.31560.069*
C351.0205 (2)−0.2322 (2)0.47654 (13)0.0401 (6)
H35A1.1002−0.23240.46250.048*
C360.9896 (3)−0.3367 (2)0.50413 (13)0.0476 (7)
H36A1.0441−0.42240.51200.057*
C370.8657 (3)−0.2966 (3)0.51724 (13)0.0485 (7)
H37A0.8202−0.35010.53570.058*
C380.8179 (2)−0.1667 (2)0.49801 (12)0.0387 (6)
H38A0.7344−0.11490.50150.046*
C390.9138 (2)−0.1247 (2)0.47311 (11)0.0325 (5)
C400.9114 (2)−0.0062 (2)0.43831 (11)0.0318 (5)
H40A0.9776−0.00470.41470.038*
C410.4761 (2)0.3987 (2)0.38948 (12)0.0374 (6)
C420.3594 (3)0.4262 (3)0.36656 (14)0.0502 (7)
H42A0.33840.36850.35110.060*
C430.2726 (3)0.5395 (3)0.36633 (17)0.0661 (10)
H43A0.19360.55750.35090.079*
C440.3032 (4)0.6243 (3)0.38865 (16)0.0700 (11)
H44A0.24470.70030.38810.084*
C450.4188 (4)0.5995 (3)0.41191 (16)0.0678 (10)
H45A0.43870.65830.42690.081*
C460.5070 (3)0.4849 (3)0.41299 (15)0.0560 (8)
H46A0.58550.46670.42930.067*
C470.5434 (2)0.1813 (2)0.33622 (12)0.0350 (5)
C480.5855 (3)0.1858 (3)0.27625 (13)0.0453 (7)
H48A0.63890.22770.26300.054*
C490.5481 (3)0.1280 (3)0.23611 (14)0.0558 (8)
H49A0.57740.13010.19620.067*
C500.4684 (3)0.0678 (3)0.25496 (15)0.0529 (8)
H50A0.44230.03050.22750.063*
C510.4264 (3)0.0622 (3)0.31447 (16)0.0586 (8)
H51A0.37260.02050.32710.070*
C520.7240 (2)0.2877 (2)0.36106 (12)0.0349 (5)
C530.4636 (3)0.1179 (3)0.35530 (14)0.0483 (7)
H53A0.43550.11320.39560.058*
C540.7217 (3)0.3907 (2)0.31455 (13)0.0464 (7)
H54A0.64840.44640.29480.056*
C550.8287 (3)0.4093 (3)0.29803 (14)0.0529 (8)
H55A0.82780.47740.26680.064*
C560.9365 (3)0.3276 (3)0.32769 (14)0.0484 (7)
H56A1.00790.34240.31690.058*
C570.9415 (2)0.2240 (2)0.37321 (12)0.0381 (6)
H57A1.01530.16860.39240.046*
C580.8343 (2)0.2040 (2)0.38975 (11)0.0317 (5)
C590.6363 (4)0.4203 (4)0.07851 (19)0.0871 (13)
H59A0.61830.34810.07470.105*
H59B0.68700.43760.04470.105*
Cl50.71545 (16)0.38869 (11)0.15051 (6)0.1188 (5)
Cl60.50114 (12)0.54512 (12)0.06999 (6)0.1046 (4)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Pd10.03078 (10)0.03280 (10)0.02863 (9)−0.01415 (8)0.00142 (8)−0.00840 (7)
Fe10.0412 (2)0.03421 (19)0.0382 (2)−0.01154 (16)0.00134 (17)−0.01045 (16)
Cl10.0549 (4)0.0684 (5)0.0497 (4)−0.0415 (4)0.0038 (3)−0.0178 (4)
Cl20.0504 (4)0.0521 (4)0.0337 (3)−0.0280 (3)0.0081 (3)−0.0149 (3)
P10.0345 (3)0.0375 (3)0.0297 (3)−0.0154 (3)0.0023 (3)−0.0068 (3)
N10.0300 (10)0.0319 (10)0.0313 (10)−0.0115 (8)0.0013 (9)−0.0088 (9)
C10.091 (7)0.057 (8)0.042 (6)−0.022 (6)−0.008 (5)−0.023 (6)
C20.072 (8)0.057 (6)0.040 (5)−0.021 (5)−0.001 (6)−0.017 (4)
C30.077 (7)0.063 (7)0.038 (7)−0.022 (6)0.014 (5)−0.008 (5)
C40.059 (7)0.055 (6)0.059 (6)−0.003 (5)0.029 (5)−0.006 (4)
C50.075 (9)0.038 (5)0.056 (6)−0.019 (6)0.008 (7)−0.021 (4)
C5'0.077 (8)0.096 (10)0.060 (8)−0.040 (7)0.004 (6)−0.046 (7)
C1'0.114 (12)0.048 (8)0.055 (8)0.006 (6)−0.025 (7)−0.026 (7)
C2'0.140 (15)0.067 (8)0.032 (7)−0.052 (10)0.011 (10)−0.010 (6)
C3'0.067 (7)0.111 (12)0.065 (9)−0.044 (9)0.038 (6)−0.044 (9)
C4'0.053 (6)0.049 (5)0.062 (6)−0.001 (5)0.000 (6)−0.028 (4)
C60.0442 (16)0.0439 (15)0.0409 (14)−0.0097 (12)−0.0097 (13)−0.0083 (12)
C70.0568 (18)0.0366 (14)0.0397 (14)−0.0149 (13)0.0054 (13)−0.0035 (12)
C80.0411 (15)0.0388 (14)0.0475 (15)−0.0165 (12)0.0100 (13)−0.0090 (12)
C90.0347 (13)0.0334 (12)0.0372 (13)−0.0131 (10)0.0048 (11)−0.0117 (11)
C100.0395 (14)0.0357 (13)0.0404 (14)−0.0140 (11)−0.0003 (12)−0.0118 (11)
C110.0272 (12)0.0367 (13)0.0402 (13)−0.0125 (10)0.0018 (11)−0.0146 (11)
C120.0475 (16)0.0450 (15)0.0323 (12)−0.0246 (13)0.0086 (12)−0.0096 (11)
C130.0600 (19)0.0469 (16)0.0421 (15)−0.0191 (14)0.0053 (14)−0.0125 (13)
C140.094 (3)0.0428 (17)0.0472 (17)−0.0256 (17)0.0077 (18)−0.0127 (14)
C150.110 (3)0.060 (2)0.056 (2)−0.050 (2)0.026 (2)−0.0174 (17)
C160.085 (3)0.084 (3)0.079 (3)−0.058 (2)0.034 (2)−0.026 (2)
C170.0557 (19)0.0593 (19)0.0572 (18)−0.0298 (16)0.0132 (16)−0.0142 (15)
C180.0392 (14)0.0421 (14)0.0347 (13)−0.0151 (12)0.0045 (11)−0.0097 (11)
C190.0436 (16)0.0610 (18)0.0435 (15)−0.0076 (14)−0.0060 (13)−0.0175 (14)
C200.0411 (17)0.074 (2)0.067 (2)−0.0007 (16)−0.0041 (16)−0.0222 (18)
C210.0497 (19)0.067 (2)0.060 (2)−0.0025 (16)0.0122 (16)−0.0233 (17)
C220.067 (2)0.068 (2)0.0394 (16)−0.0139 (17)0.0088 (15)−0.0220 (15)
C230.0446 (16)0.0554 (17)0.0370 (14)−0.0105 (13)−0.0009 (13)−0.0126 (13)
C240.0340 (13)0.0352 (13)0.0347 (12)−0.0114 (10)−0.0004 (11)−0.0102 (11)
C250.0327 (13)0.0329 (12)0.0316 (12)−0.0067 (10)−0.0003 (10)−0.0135 (10)
C260.0366 (14)0.0407 (14)0.0432 (14)−0.0130 (11)−0.0016 (12)−0.0144 (12)
C270.0427 (16)0.0497 (16)0.0534 (17)−0.0118 (13)−0.0117 (14)−0.0177 (14)
C280.0559 (19)0.0476 (16)0.0405 (15)−0.0126 (14)−0.0141 (14)−0.0063 (13)
C290.0489 (17)0.0445 (15)0.0376 (14)−0.0154 (13)−0.0050 (13)−0.0054 (12)
Pd20.02569 (9)0.03334 (10)0.02880 (9)−0.00823 (7)0.00318 (7)−0.00707 (7)
Fe20.0342 (2)0.03561 (19)0.03562 (19)−0.01031 (15)−0.00046 (16)−0.01028 (16)
Cl30.0351 (3)0.0584 (4)0.0316 (3)−0.0102 (3)0.0005 (3)−0.0072 (3)
Cl40.0306 (3)0.0624 (4)0.0500 (4)−0.0132 (3)0.0117 (3)−0.0112 (3)
P20.0291 (3)0.0325 (3)0.0317 (3)−0.0071 (3)0.0007 (3)−0.0071 (3)
N20.0265 (10)0.0340 (10)0.0284 (10)−0.0111 (8)0.0023 (8)−0.0072 (8)
C300.071 (2)0.0550 (19)0.0571 (19)−0.0129 (17)−0.0044 (17)−0.0290 (16)
C310.082 (3)0.088 (3)0.0541 (19)−0.051 (2)−0.0042 (19)−0.0248 (19)
C320.0404 (17)0.096 (3)0.0483 (17)−0.0141 (17)−0.0067 (15)−0.0265 (18)
C330.067 (2)0.0580 (19)0.0365 (15)−0.0111 (16)−0.0058 (15)−0.0102 (14)
C340.0531 (19)0.076 (2)0.0442 (16)−0.0153 (17)0.0106 (15)−0.0239 (16)
C350.0334 (14)0.0391 (14)0.0453 (15)−0.0075 (11)−0.0049 (12)−0.0118 (12)
C360.0584 (19)0.0336 (14)0.0430 (15)−0.0083 (13)−0.0117 (14)−0.0040 (12)
C370.074 (2)0.0449 (16)0.0365 (14)−0.0341 (15)0.0017 (14)−0.0068 (12)
C380.0431 (15)0.0413 (14)0.0361 (13)−0.0181 (12)0.0055 (12)−0.0119 (11)
C390.0316 (13)0.0315 (12)0.0349 (12)−0.0098 (10)0.0003 (11)−0.0097 (10)
C400.0252 (12)0.0359 (12)0.0352 (12)−0.0108 (10)0.0036 (10)−0.0100 (10)
C410.0381 (14)0.0339 (13)0.0330 (12)−0.0031 (11)0.0011 (11)−0.0078 (11)
C420.0399 (16)0.0480 (16)0.0550 (17)−0.0031 (13)0.0025 (14)−0.0153 (14)
C430.0454 (18)0.060 (2)0.073 (2)0.0055 (16)0.0057 (17)−0.0119 (18)
C440.079 (3)0.0480 (19)0.057 (2)0.0105 (18)0.0213 (19)−0.0129 (16)
C450.099 (3)0.0437 (18)0.062 (2)−0.0167 (19)0.015 (2)−0.0281 (16)
C460.060 (2)0.0504 (18)0.0571 (18)−0.0113 (15)−0.0046 (16)−0.0216 (15)
C470.0331 (13)0.0316 (12)0.0363 (13)−0.0049 (10)−0.0006 (11)−0.0090 (11)
C480.0430 (16)0.0543 (17)0.0416 (15)−0.0185 (13)0.0072 (13)−0.0148 (13)
C490.062 (2)0.064 (2)0.0407 (15)−0.0144 (16)0.0064 (15)−0.0211 (15)
C500.0586 (19)0.0491 (17)0.0511 (17)−0.0116 (15)−0.0094 (15)−0.0218 (14)
C510.067 (2)0.0591 (19)0.063 (2)−0.0366 (17)0.0033 (17)−0.0167 (16)
C520.0355 (13)0.0341 (13)0.0355 (13)−0.0119 (11)0.0040 (11)−0.0085 (11)
C530.0536 (18)0.0571 (18)0.0431 (15)−0.0284 (15)0.0094 (14)−0.0153 (14)
C540.0491 (17)0.0380 (14)0.0444 (15)−0.0122 (13)−0.0003 (13)0.0013 (12)
C550.063 (2)0.0476 (17)0.0489 (17)−0.0286 (15)0.0071 (16)0.0022 (14)
C560.0493 (17)0.0520 (17)0.0510 (17)−0.0285 (14)0.0126 (14)−0.0095 (14)
C570.0345 (14)0.0440 (14)0.0391 (13)−0.0159 (11)0.0056 (11)−0.0125 (12)
C580.0341 (13)0.0314 (12)0.0322 (12)−0.0125 (10)0.0056 (10)−0.0106 (10)
C590.116 (4)0.067 (2)0.078 (3)−0.021 (2)0.005 (3)−0.031 (2)
Cl50.1863 (15)0.0860 (8)0.0771 (7)−0.0563 (9)−0.0265 (8)0.0120 (6)
Cl60.0972 (9)0.0995 (8)0.1150 (10)−0.0202 (7)0.0251 (7)−0.0430 (7)
Geometric parameters (Å, °) top
Pd1—N12.051 (2)C27—H27A0.9300
Pd1—P12.2118 (6)C28—C291.366 (4)
Pd1—Cl12.2832 (7)C28—H28A0.9300
Pd1—Cl22.3926 (6)C29—H29A0.9300
Fe1—C82.014 (3)Pd2—N22.0616 (18)
Fe1—C1'2.023 (8)Pd2—P22.1979 (6)
Fe1—C5'2.028 (7)Pd2—Cl42.2875 (6)
Fe1—C92.028 (2)Pd2—Cl32.3843 (7)
Fe1—C42.039 (10)Fe2—C302.031 (3)
Fe1—C52.044 (8)Fe2—C312.031 (3)
Fe1—C102.048 (2)Fe2—C322.035 (3)
Fe1—C2'2.049 (9)Fe2—C382.040 (3)
Fe1—C4'2.056 (8)Fe2—C352.042 (3)
Fe1—C72.061 (3)Fe2—C392.045 (2)
Fe1—C32.063 (9)Fe2—C342.049 (3)
Fe1—C62.065 (3)Fe2—C372.050 (3)
P1—C181.810 (3)Fe2—C332.052 (3)
P1—C121.811 (3)Fe2—C362.055 (3)
P1—C241.812 (3)P2—C471.805 (3)
N1—C111.295 (3)P2—C521.809 (3)
N1—C251.443 (3)P2—C411.810 (2)
C1—C21.4200N2—C401.294 (3)
C1—C51.4200N2—C581.439 (3)
C1—H1A0.9800C30—C311.391 (5)
C2—C31.4200C30—C341.391 (5)
C2—H2A0.9800C30—H30A0.9800
C3—C41.4200C31—C321.406 (5)
C3—H3A0.9800C31—H31A0.9800
C4—C51.4200C32—C331.386 (5)
C4—H4A0.9800C32—H32A0.9800
C5—H5A0.9800C33—C341.424 (4)
C5'—C1'1.4200C33—H33A0.9800
C5'—C4'1.4200C34—H34A0.9800
C5'—H5'A0.9800C35—C361.413 (4)
C1'—C2'1.4200C35—C391.446 (3)
C1'—H1'A0.9800C35—H35A0.9800
C2'—C3'1.4200C36—C371.418 (4)
C2'—H2'A0.9800C36—H36A0.9800
C3'—C4'1.4200C37—C381.415 (4)
C3'—H3'A0.9800C37—H37A0.9800
C4'—H4'A0.9800C38—C391.433 (3)
C6—C101.409 (4)C38—H38A0.9800
C6—C71.414 (4)C39—C401.432 (3)
C6—H6A0.9800C40—H40A0.9300
C7—C81.410 (4)C41—C421.372 (4)
C7—H7A0.9800C41—C461.392 (4)
C8—C91.444 (3)C42—C431.388 (4)
C8—H8A0.9800C42—H42A0.9300
C9—C111.435 (4)C43—C441.361 (5)
C9—C101.440 (4)C43—H43A0.9300
C10—H10A0.9800C44—C451.369 (5)
C11—H11A0.9300C44—H44A0.9300
C12—C171.384 (4)C45—C461.402 (4)
C12—C131.393 (4)C45—H45A0.9300
C13—C141.384 (4)C46—H46A0.9300
C13—H13A0.9300C47—C481.388 (4)
C14—C151.363 (5)C47—C531.394 (4)
C14—H14A0.9300C48—C491.386 (4)
C15—C161.361 (5)C48—H48A0.9300
C15—H15A0.9300C49—C501.366 (4)
C16—C171.394 (4)C49—H49A0.9300
C16—H16A0.9300C50—C511.378 (4)
C17—H17A0.9300C50—H50A0.9300
C18—C191.383 (4)C51—C531.377 (4)
C18—C231.391 (4)C51—H51A0.9300
C19—C201.388 (4)C52—C581.392 (3)
C19—H19A0.9300C52—C541.395 (3)
C20—C211.373 (5)C53—H53A0.9300
C20—H20A0.9300C54—C551.379 (4)
C21—C221.371 (5)C54—H54A0.9300
C21—H21A0.9300C55—C561.372 (4)
C22—C231.380 (4)C55—H55A0.9300
C22—H22A0.9300C56—C571.382 (4)
C23—H23A0.9300C56—H56A0.9300
C24—C251.398 (3)C57—C581.387 (3)
C24—C291.398 (4)C57—H57A0.9300
C25—C261.388 (4)C59—Cl51.737 (4)
C26—C271.373 (4)C59—Cl61.749 (4)
C26—H26A0.9300C59—H59A0.9700
C27—C281.394 (4)C59—H59B0.9700
N1—Pd1—P181.09 (6)C23—C22—H22A119.8
N1—Pd1—Cl1174.86 (6)C22—C23—C18119.9 (3)
P1—Pd1—Cl193.85 (3)C22—C23—H23A120.0
N1—Pd1—Cl292.77 (6)C18—C23—H23A120.0
P1—Pd1—Cl2169.16 (3)C25—C24—C29119.1 (2)
Cl1—Pd1—Cl292.36 (2)C25—C24—P1113.86 (18)
C8—Fe1—C1'115.4 (4)C29—C24—P1127.0 (2)
C8—Fe1—C5'105.1 (2)C26—C25—C24120.7 (2)
C1'—Fe1—C5'41.04 (13)C26—C25—N1123.8 (2)
C8—Fe1—C941.87 (9)C24—C25—N1115.4 (2)
C1'—Fe1—C9108.4 (2)C27—C26—C25119.1 (3)
C5'—Fe1—C9128.8 (3)C27—C26—H26A120.5
C8—Fe1—C4150.5 (4)C25—C26—H26A120.5
C1'—Fe1—C471.4 (3)C26—C27—C28120.8 (3)
C5'—Fe1—C459.8 (3)C26—C27—H27A119.6
C9—Fe1—C4167.0 (4)C28—C27—H27A119.6
C8—Fe1—C5117.3 (3)C29—C28—C27120.2 (3)
C1'—Fe1—C555.2 (2)C29—C28—H28A119.9
C5'—Fe1—C522.0 (2)C27—C28—H28A119.9
C9—Fe1—C5149.8 (4)C28—C29—C24120.1 (3)
C4—Fe1—C540.70 (16)C28—C29—H29A120.0
C8—Fe1—C1069.71 (11)C24—C29—H29A120.0
C1'—Fe1—C10131.9 (4)N2—Pd2—P282.08 (6)
C5'—Fe1—C10169.5 (4)N2—Pd2—Cl4171.66 (6)
C9—Fe1—C1041.38 (10)P2—Pd2—Cl490.52 (3)
C4—Fe1—C10129.0 (4)N2—Pd2—Cl393.96 (6)
C5—Fe1—C10168.5 (4)P2—Pd2—Cl3166.02 (3)
C8—Fe1—C2'150.4 (6)Cl4—Pd2—Cl394.13 (2)
C1'—Fe1—C2'40.81 (16)C30—Fe2—C3140.03 (14)
C5'—Fe1—C2'68.62 (18)C30—Fe2—C3267.64 (14)
C9—Fe1—C2'118.6 (4)C31—Fe2—C3240.45 (14)
C4—Fe1—C2'52.5 (3)C30—Fe2—C38158.03 (13)
C5—Fe1—C2'67.8 (3)C31—Fe2—C38121.46 (13)
C10—Fe1—C2'111.1 (2)C32—Fe2—C38105.75 (12)
C8—Fe1—C4'126.8 (4)C30—Fe2—C35123.09 (13)
C1'—Fe1—C4'68.56 (15)C31—Fe2—C35156.33 (14)
C5'—Fe1—C4'40.69 (12)C32—Fe2—C35162.72 (14)
C9—Fe1—C4'166.9 (4)C38—Fe2—C3569.23 (11)
C4—Fe1—C4'25.7 (3)C30—Fe2—C39159.77 (13)
C5—Fe1—C4'18.8 (2)C31—Fe2—C39159.33 (14)
C10—Fe1—C4'149.7 (4)C32—Fe2—C39124.13 (13)
C2'—Fe1—C4'68.1 (2)C38—Fe2—C3941.07 (10)
C8—Fe1—C740.48 (11)C35—Fe2—C3941.44 (9)
C1'—Fe1—C7147.9 (5)C30—Fe2—C3439.86 (13)
C5'—Fe1—C7114.4 (3)C31—Fe2—C3467.33 (14)
C9—Fe1—C768.58 (10)C32—Fe2—C3467.72 (13)
C4—Fe1—C7118.8 (3)C38—Fe2—C34159.09 (12)
C5—Fe1—C7110.7 (2)C35—Fe2—C34110.78 (13)
C10—Fe1—C767.99 (11)C39—Fe2—C34124.91 (12)
C2'—Fe1—C7168.9 (6)C30—Fe2—C37122.86 (13)
C4'—Fe1—C7106.8 (2)C31—Fe2—C37105.24 (13)
C8—Fe1—C3167.6 (4)C32—Fe2—C37119.37 (14)
C1'—Fe1—C357.1 (4)C38—Fe2—C3740.49 (10)
C5'—Fe1—C375.9 (3)C35—Fe2—C3768.22 (12)
C9—Fe1—C3128.0 (3)C39—Fe2—C3768.36 (10)
C4—Fe1—C340.49 (17)C34—Fe2—C37160.23 (13)
C5—Fe1—C368.0 (2)C30—Fe2—C3367.32 (13)
C10—Fe1—C3107.1 (2)C31—Fe2—C3367.12 (14)
C2'—Fe1—C318.3 (4)C32—Fe2—C3339.65 (13)
C4'—Fe1—C361.9 (3)C38—Fe2—C33121.83 (12)
C7—Fe1—C3150.6 (3)C35—Fe2—C33127.98 (13)
C8—Fe1—C668.43 (12)C39—Fe2—C33110.05 (12)
C1'—Fe1—C6170.8 (5)C34—Fe2—C3340.63 (12)
C5'—Fe1—C6147.7 (4)C37—Fe2—C33155.35 (13)
C9—Fe1—C668.36 (11)C30—Fe2—C36108.03 (13)
C4—Fe1—C6109.7 (3)C31—Fe2—C36120.10 (14)
C5—Fe1—C6131.7 (4)C32—Fe2—C36154.77 (14)
C10—Fe1—C640.07 (10)C38—Fe2—C3668.50 (11)
C2'—Fe1—C6132.3 (4)C35—Fe2—C3640.33 (11)
C4'—Fe1—C6116.6 (2)C39—Fe2—C3668.59 (10)
C7—Fe1—C640.09 (11)C34—Fe2—C36125.94 (13)
C3—Fe1—C6117.4 (2)C37—Fe2—C3640.43 (12)
C18—P1—C12104.83 (12)C33—Fe2—C36163.81 (13)
C18—P1—C24107.78 (12)C47—P2—C52107.99 (12)
C12—P1—C24108.48 (12)C47—P2—C41108.37 (12)
C18—P1—Pd1116.41 (9)C52—P2—C41105.87 (12)
C12—P1—Pd1119.66 (9)C47—P2—Pd2117.30 (8)
C24—P1—Pd198.89 (8)C52—P2—Pd298.89 (8)
C11—N1—C25119.1 (2)C41—P2—Pd2117.02 (8)
C11—N1—Pd1126.51 (17)C40—N2—C58118.00 (19)
C25—N1—Pd1114.20 (15)C40—N2—Pd2128.02 (16)
C2—C1—C5108.0C58—N2—Pd2113.58 (14)
C2—C1—Fe170.5 (3)C31—C30—C34108.8 (3)
C5—C1—Fe168.8 (3)C31—C30—Fe269.99 (19)
C2—C1—H1A126.0C34—C30—Fe270.77 (18)
C5—C1—H1A126.0C31—C30—H30A125.6
Fe1—C1—H1A126.0C34—C30—H30A125.6
C3—C2—C1108.0Fe2—C30—H30A125.6
C3—C2—Fe169.2 (4)C30—C31—C32108.1 (3)
C1—C2—Fe169.6 (3)C30—C31—Fe269.97 (19)
C3—C2—H2A126.0C32—C31—Fe269.90 (19)
C1—C2—H2A126.0C30—C31—H31A126.0
Fe1—C2—H2A126.0C32—C31—H31A126.0
C4—C3—C2108.0Fe2—C31—H31A126.0
C4—C3—Fe168.8 (3)C33—C32—C31107.9 (3)
C2—C3—Fe170.7 (3)C33—C32—Fe270.86 (19)
C4—C3—H3A126.0C31—C32—Fe269.65 (19)
C2—C3—H3A126.0C33—C32—H32A126.0
Fe1—C3—H3A126.0C31—C32—H32A126.0
C3—C4—C5108.0Fe2—C32—H32A126.0
C3—C4—Fe170.7 (3)C32—C33—C34108.1 (3)
C5—C4—Fe169.8 (3)C32—C33—Fe269.49 (18)
C3—C4—H4A126.0C34—C33—Fe269.57 (17)
C5—C4—H4A126.0C32—C33—H33A125.9
Fe1—C4—H4A126.0C34—C33—H33A125.9
C4—C5—C1108.0Fe2—C33—H33A125.9
C4—C5—Fe169.5 (4)C30—C34—C33107.0 (3)
C1—C5—Fe170.8 (3)C30—C34—Fe269.37 (18)
C4—C5—H5A126.0C33—C34—Fe269.81 (16)
C1—C5—H5A126.0C30—C34—H34A126.5
Fe1—C5—H5A126.0C33—C34—H34A126.5
C1'—C5'—C4'108.0Fe2—C34—H34A126.5
C1'—C5'—Fe169.3 (3)C36—C35—C39107.8 (2)
C4'—C5'—Fe170.7 (4)C36—C35—Fe270.34 (16)
C1'—C5'—H5'A126.0C39—C35—Fe269.39 (14)
C4'—C5'—H5'A126.0C36—C35—H35A126.1
Fe1—C5'—H5'A126.0C39—C35—H35A126.1
C5'—C1'—C2'108.0Fe2—C35—H35A126.1
C5'—C1'—Fe169.6 (3)C35—C36—C37108.3 (2)
C2'—C1'—Fe170.6 (4)C35—C36—Fe269.33 (15)
C5'—C1'—H1'A126.0C37—C36—Fe269.57 (16)
C2'—C1'—H1'A126.0C35—C36—H36A125.9
Fe1—C1'—H1'A126.0C37—C36—H36A125.9
C1'—C2'—C3'108.0Fe2—C36—H36A125.9
C1'—C2'—Fe168.6 (3)C38—C37—C36108.9 (2)
C3'—C2'—Fe170.6 (3)C38—C37—Fe269.41 (15)
C1'—C2'—H2'A126.0C36—C37—Fe270.00 (16)
C3'—C2'—H2'A126.0C38—C37—H37A125.6
Fe1—C2'—H2'A126.0C36—C37—H37A125.6
C4'—C3'—C2'108.0Fe2—C37—H37A125.6
C4'—C3'—Fe169.4 (3)C37—C38—C39107.7 (2)
C2'—C3'—Fe169.1 (3)C37—C38—Fe270.10 (15)
C4'—C3'—H3'A126.0C39—C38—Fe269.63 (14)
C2'—C3'—H3'A126.0C37—C38—H38A126.1
Fe1—C3'—H3'A126.0C39—C38—H38A126.1
C3'—C4'—C5'108.0Fe2—C38—H38A126.1
C3'—C4'—Fe170.3 (4)C40—C39—C38130.9 (2)
C5'—C4'—Fe168.6 (3)C40—C39—C35120.7 (2)
C3'—C4'—H4'A126.0C38—C39—C35107.3 (2)
C5'—C4'—H4'A126.0C40—C39—Fe2117.09 (17)
Fe1—C4'—H4'A126.0C38—C39—Fe269.30 (14)
C10—C6—C7108.9 (2)C35—C39—Fe269.17 (14)
C10—C6—Fe169.30 (15)N2—C40—C39127.6 (2)
C7—C6—Fe169.79 (16)N2—C40—H40A116.2
C10—C6—H6A125.5C39—C40—H40A116.2
C7—C6—H6A125.5C42—C41—C46119.6 (3)
Fe1—C6—H6A125.5C42—C41—P2122.0 (2)
C8—C7—C6108.6 (2)C46—C41—P2118.3 (2)
C8—C7—Fe167.96 (15)C41—C42—C43120.4 (3)
C6—C7—Fe170.12 (15)C41—C42—H42A119.8
C8—C7—H7A125.7C43—C42—H42A119.8
C6—C7—H7A125.7C44—C43—C42119.9 (3)
Fe1—C7—H7A125.7C44—C43—H43A120.0
C7—C8—C9107.6 (2)C42—C43—H43A120.0
C7—C8—Fe171.56 (16)C43—C44—C45121.0 (3)
C9—C8—Fe169.59 (14)C43—C44—H44A119.5
C7—C8—H8A126.2C45—C44—H44A119.5
C9—C8—H8A126.2C44—C45—C46119.6 (3)
Fe1—C8—H8A126.2C44—C45—H45A120.2
C11—C9—C10128.6 (2)C46—C45—H45A120.2
C11—C9—C8121.9 (2)C41—C46—C45119.4 (3)
C10—C9—C8107.2 (2)C41—C46—H46A120.3
C11—C9—Fe1112.88 (17)C45—C46—H46A120.3
C10—C9—Fe170.06 (14)C48—C47—C53119.2 (3)
C8—C9—Fe168.54 (14)C48—C47—P2121.6 (2)
C6—C10—C9107.6 (2)C53—C47—P2119.2 (2)
C6—C10—Fe170.63 (15)C49—C48—C47120.0 (3)
C9—C10—Fe168.57 (14)C49—C48—H48A120.0
C6—C10—H10A126.2C47—C48—H48A120.0
C9—C10—H10A126.2C50—C49—C48120.2 (3)
Fe1—C10—H10A126.2C50—C49—H49A119.9
N1—C11—C9126.1 (2)C48—C49—H49A119.9
N1—C11—H11A116.9C49—C50—C51120.2 (3)
C9—C11—H11A116.9C49—C50—H50A119.9
C17—C12—C13119.4 (3)C51—C50—H50A119.9
C17—C12—P1119.4 (2)C53—C51—C50120.4 (3)
C13—C12—P1121.1 (2)C53—C51—H51A119.8
C14—C13—C12120.0 (3)C50—C51—H51A119.8
C14—C13—H13A120.0C58—C52—C54119.8 (2)
C12—C13—H13A120.0C58—C52—P2114.71 (18)
C15—C14—C13120.0 (3)C54—C52—P2125.5 (2)
C15—C14—H14A120.0C51—C53—C47119.9 (3)
C13—C14—H14A120.0C51—C53—H53A120.0
C16—C15—C14120.6 (3)C47—C53—H53A120.0
C16—C15—H15A119.7C55—C54—C52119.6 (3)
C14—C15—H15A119.7C55—C54—H54A120.2
C15—C16—C17120.7 (4)C52—C54—H54A120.2
C15—C16—H16A119.7C56—C55—C54120.0 (3)
C17—C16—H16A119.7C56—C55—H55A120.0
C12—C17—C16119.2 (3)C54—C55—H55A120.0
C12—C17—H17A120.4C55—C56—C57121.5 (3)
C16—C17—H17A120.4C55—C56—H56A119.3
C19—C18—C23119.2 (3)C57—C56—H56A119.3
C19—C18—P1119.6 (2)C56—C57—C58118.8 (3)
C23—C18—P1121.0 (2)C56—C57—H57A120.6
C18—C19—C20120.2 (3)C58—C57—H57A120.6
C18—C19—H19A119.9C57—C58—C52120.3 (2)
C20—C19—H19A119.9C57—C58—N2123.9 (2)
C21—C20—C19120.0 (3)C52—C58—N2115.8 (2)
C21—C20—H20A120.0Cl5—C59—Cl6112.5 (2)
C19—C20—H20A120.0Cl5—C59—H59A109.1
C22—C21—C20120.1 (3)Cl6—C59—H59A109.1
C22—C21—H21A119.9Cl5—C59—H59B109.1
C20—C21—H21A119.9Cl6—C59—H59B109.1
C21—C22—C23120.5 (3)H59A—C59—H59B107.8
C21—C22—H22A119.7
N1—Pd1—P1—C1884.82 (11)Fe1—C6—C10—C9−58.80 (17)
Cl1—Pd1—P1—C18−94.30 (10)C7—C6—C10—Fe158.7 (2)
Cl2—Pd1—P1—C18140.89 (15)C11—C9—C10—C6164.0 (2)
N1—Pd1—P1—C12−147.46 (12)C8—C9—C10—C61.4 (3)
Cl1—Pd1—P1—C1233.41 (11)Fe1—C9—C10—C660.10 (18)
Cl2—Pd1—P1—C12−91.39 (17)C11—C9—C10—Fe1103.9 (3)
N1—Pd1—P1—C24−30.19 (10)C8—C9—C10—Fe1−58.69 (17)
Cl1—Pd1—P1—C24150.68 (8)C8—Fe1—C10—C6−80.25 (17)
Cl2—Pd1—P1—C2425.88 (16)C1'—Fe1—C10—C6173.3 (6)
P1—Pd1—N1—C11−137.0 (2)C5'—Fe1—C10—C6−142.3 (15)
Cl2—Pd1—N1—C1151.96 (19)C9—Fe1—C10—C6−118.9 (2)
P1—Pd1—N1—C2538.35 (14)C4—Fe1—C10—C673.2 (4)
Cl2—Pd1—N1—C25−132.66 (15)C5—Fe1—C10—C649.1 (10)
C8—Fe1—C1—C2−130.1 (4)C2'—Fe1—C10—C6131.4 (6)
C1'—Fe1—C1—C2−15.7 (12)C4'—Fe1—C10—C649.1 (6)
C5'—Fe1—C1—C2145.2 (8)C7—Fe1—C10—C6−36.74 (17)
C9—Fe1—C1—C2−85.4 (4)C3—Fe1—C10—C6112.4 (4)
C4—Fe1—C1—C281.2 (2)C8—Fe1—C10—C938.62 (15)
C5—Fe1—C1—C2119.3 (2)C1'—Fe1—C10—C9−67.8 (6)
C10—Fe1—C1—C2−48.8 (6)C5'—Fe1—C10—C9−23.4 (15)
C2'—Fe1—C1—C222.3 (5)C4—Fe1—C10—C9−168.0 (4)
C4'—Fe1—C1—C2107.5 (4)C5—Fe1—C10—C9167.9 (9)
C7—Fe1—C1—C2−169.3 (3)C2'—Fe1—C10—C9−109.7 (6)
C3—Fe1—C1—C237.27 (14)C4'—Fe1—C10—C9167.9 (5)
C8—Fe1—C1—C5110.6 (4)C7—Fe1—C10—C982.12 (16)
C1'—Fe1—C1—C5−135.0 (12)C3—Fe1—C10—C9−128.7 (4)
C5'—Fe1—C1—C525.9 (8)C6—Fe1—C10—C9118.9 (2)
C9—Fe1—C1—C5155.3 (4)C25—N1—C11—C9−164.5 (2)
C4—Fe1—C1—C5−38.12 (15)Pd1—N1—C11—C910.7 (3)
C10—Fe1—C1—C5−168.1 (5)C10—C9—C11—N126.4 (4)
C2'—Fe1—C1—C5−97.0 (5)C8—C9—C11—N1−173.3 (2)
C4'—Fe1—C1—C5−11.8 (3)Fe1—C9—C11—N1108.6 (2)
C7—Fe1—C1—C571.4 (4)C18—P1—C12—C1733.9 (3)
C3—Fe1—C1—C5−82.0 (3)C24—P1—C12—C17148.8 (2)
C5—C1—C2—C30.0Pd1—P1—C12—C17−99.0 (2)
Fe1—C1—C2—C3−58.7 (4)C18—P1—C12—C13−149.4 (2)
C5—C1—C2—Fe158.7 (4)C24—P1—C12—C13−34.5 (3)
C8—Fe1—C2—C3−170.4 (4)Pd1—P1—C12—C1377.7 (2)
C1'—Fe1—C2—C3133.1 (9)C17—C12—C13—C140.4 (4)
C5'—Fe1—C2—C3104.9 (4)P1—C12—C13—C14−176.3 (2)
C9—Fe1—C2—C3−129.6 (5)C12—C13—C14—C150.8 (5)
C4—Fe1—C2—C337.81 (16)C13—C14—C15—C16−1.3 (5)
C5—Fe1—C2—C382.0 (3)C14—C15—C16—C170.6 (6)
C10—Fe1—C2—C3−86.0 (5)C13—C12—C17—C16−1.1 (5)
C2'—Fe1—C2—C3−4.0 (9)P1—C12—C17—C16175.6 (3)
C4'—Fe1—C2—C363.8 (3)C15—C16—C17—C120.6 (5)
C7—Fe1—C2—C3165.7 (9)C12—P1—C18—C19−91.5 (2)
C6—Fe1—C2—C3−53.6 (6)C24—P1—C18—C19153.1 (2)
C8—Fe1—C2—C170.0 (4)Pd1—P1—C18—C1943.2 (3)
C1'—Fe1—C2—C113.5 (8)C12—P1—C18—C2384.9 (2)
C5'—Fe1—C2—C1−14.7 (3)C24—P1—C18—C23−30.5 (3)
C9—Fe1—C2—C1110.8 (5)Pd1—P1—C18—C23−140.4 (2)
C4—Fe1—C2—C1−81.8 (2)C23—C18—C19—C20−1.1 (5)
C5—Fe1—C2—C1−37.64 (15)P1—C18—C19—C20175.4 (3)
C10—Fe1—C2—C1154.4 (4)C18—C19—C20—C211.6 (5)
C2'—Fe1—C2—C1−123.6 (9)C19—C20—C21—C22−0.7 (6)
C4'—Fe1—C2—C1−55.8 (3)C20—C21—C22—C23−0.7 (6)
C7—Fe1—C2—C146.1 (10)C21—C22—C23—C181.2 (5)
C3—Fe1—C2—C1−119.60 (19)C19—C18—C23—C22−0.3 (4)
C6—Fe1—C2—C1−173.2 (5)P1—C18—C23—C22−176.7 (2)
C1—C2—C3—C40.0C18—P1—C24—C25−97.19 (19)
Fe1—C2—C3—C4−58.9 (3)C12—P1—C24—C25149.82 (18)
C1—C2—C3—Fe158.9 (3)Pd1—P1—C24—C2524.35 (18)
C8—Fe1—C3—C4156.0 (12)C18—P1—C24—C2981.0 (3)
C1'—Fe1—C3—C4100.0 (3)C12—P1—C24—C29−32.0 (3)
C5'—Fe1—C3—C459.7 (3)Pd1—P1—C24—C29−157.4 (2)
C9—Fe1—C3—C4−171.6 (5)C29—C24—C25—C261.6 (4)
C5—Fe1—C3—C438.15 (16)P1—C24—C25—C26180.00 (19)
C10—Fe1—C3—C4−130.7 (5)C29—C24—C25—N1−176.4 (2)
C2'—Fe1—C3—C4123.8 (11)P1—C24—C25—N12.0 (3)
C4'—Fe1—C3—C418.5 (3)C11—N1—C25—C26−34.4 (3)
C7—Fe1—C3—C4−55.3 (5)Pd1—N1—C25—C26149.9 (2)
C6—Fe1—C3—C4−88.7 (4)C11—N1—C25—C24143.5 (2)
C8—Fe1—C3—C236.9 (12)Pd1—N1—C25—C24−32.2 (2)
C1'—Fe1—C3—C2−19.2 (3)C24—C25—C26—C27−0.3 (4)
C5'—Fe1—C3—C2−59.4 (3)N1—C25—C26—C27177.5 (2)
C9—Fe1—C3—C269.2 (5)C25—C26—C27—C28−1.1 (4)
C4—Fe1—C3—C2−119.12 (17)C26—C27—C28—C291.2 (4)
C5—Fe1—C3—C2−81.0 (2)C27—C28—C29—C240.2 (4)
C10—Fe1—C3—C2110.2 (5)C25—C24—C29—C28−1.6 (4)
C2'—Fe1—C3—C24.7 (10)P1—C24—C29—C28−179.7 (2)
C4'—Fe1—C3—C2−100.6 (3)N2—Pd2—P2—C4787.24 (11)
C7—Fe1—C3—C2−174.4 (4)Cl4—Pd2—P2—C47−88.89 (10)
C6—Fe1—C3—C2152.2 (4)Cl3—Pd2—P2—C47161.56 (12)
C2—C3—C4—C50.0N2—Pd2—P2—C52−28.38 (10)
Fe1—C3—C4—C5−60.1 (3)Cl4—Pd2—P2—C52155.48 (8)
C2—C3—C4—Fe160.1 (3)Cl3—Pd2—P2—C5245.93 (13)
C8—Fe1—C4—C3−169.8 (5)N2—Pd2—P2—C41−141.37 (12)
C1'—Fe1—C4—C3−60.8 (3)Cl4—Pd2—P2—C4142.50 (11)
C5'—Fe1—C4—C3−104.3 (3)Cl3—Pd2—P2—C41−67.06 (15)
C9—Fe1—C4—C330.7 (13)P2—Pd2—N2—C40−135.9 (2)
C5—Fe1—C4—C3−118.54 (18)Cl3—Pd2—N2—C4057.5 (2)
C10—Fe1—C4—C368.7 (4)P2—Pd2—N2—C5836.60 (15)
C2'—Fe1—C4—C3−19.2 (4)Cl3—Pd2—N2—C58−129.92 (15)
C4'—Fe1—C4—C3−139.8 (7)C32—Fe2—C30—C31−37.8 (2)
C7—Fe1—C4—C3152.6 (4)C38—Fe2—C30—C3138.6 (4)
C6—Fe1—C4—C3109.5 (4)C35—Fe2—C30—C31157.5 (2)
C8—Fe1—C4—C5−51.2 (5)C39—Fe2—C30—C31−167.5 (3)
C1'—Fe1—C4—C557.8 (4)C34—Fe2—C30—C31−119.4 (3)
C5'—Fe1—C4—C514.2 (3)C37—Fe2—C30—C3173.6 (3)
C9—Fe1—C4—C5149.3 (12)C33—Fe2—C30—C31−80.9 (2)
C10—Fe1—C4—C5−172.8 (4)C36—Fe2—C30—C31115.6 (2)
C2'—Fe1—C4—C599.3 (5)C31—Fe2—C30—C34119.4 (3)
C4'—Fe1—C4—C5−21.2 (7)C32—Fe2—C30—C3481.5 (2)
C7—Fe1—C4—C5−88.9 (4)C38—Fe2—C30—C34157.9 (3)
C3—Fe1—C4—C5118.54 (18)C35—Fe2—C30—C34−83.1 (2)
C6—Fe1—C4—C5−131.9 (4)C39—Fe2—C30—C34−48.1 (4)
C3—C4—C5—C10.0C37—Fe2—C30—C34−167.0 (2)
Fe1—C4—C5—C1−60.6 (3)C33—Fe2—C30—C3438.5 (2)
C3—C4—C5—Fe160.6 (3)C36—Fe2—C30—C34−125.0 (2)
C2—C1—C5—C40.0C34—C30—C31—C32−0.6 (4)
Fe1—C1—C5—C459.8 (3)Fe2—C30—C31—C3259.8 (2)
C2—C1—C5—Fe1−59.8 (3)C34—C30—C31—Fe2−60.4 (2)
C8—Fe1—C5—C4154.4 (4)C32—Fe2—C31—C30119.0 (3)
C1'—Fe1—C5—C4−102.4 (5)C38—Fe2—C31—C30−164.14 (19)
C5'—Fe1—C5—C4−145.3 (8)C35—Fe2—C31—C30−53.0 (4)
C9—Fe1—C5—C4−166.8 (5)C39—Fe2—C31—C30167.8 (3)
C10—Fe1—C5—C429.1 (11)C34—Fe2—C31—C3037.2 (2)
C2'—Fe1—C5—C4−57.8 (4)C37—Fe2—C31—C30−123.4 (2)
C4'—Fe1—C5—C429.2 (9)C33—Fe2—C31—C3081.5 (2)
C7—Fe1—C5—C4110.4 (4)C36—Fe2—C31—C30−82.3 (2)
C3—Fe1—C5—C4−37.96 (16)C30—Fe2—C31—C32−119.0 (3)
C6—Fe1—C5—C469.8 (4)C38—Fe2—C31—C3276.9 (2)
C8—Fe1—C5—C1−87.0 (4)C35—Fe2—C31—C32−172.0 (3)
C1'—Fe1—C5—C116.3 (5)C39—Fe2—C31—C3248.8 (4)
C5'—Fe1—C5—C1−26.7 (8)C34—Fe2—C31—C32−81.8 (2)
C9—Fe1—C5—C1−48.2 (5)C37—Fe2—C31—C32117.6 (2)
C4—Fe1—C5—C1118.65 (16)C33—Fe2—C31—C32−37.52 (19)
C10—Fe1—C5—C1147.8 (10)C36—Fe2—C31—C32158.70 (19)
C2'—Fe1—C5—C160.9 (5)C30—C31—C32—C331.0 (4)
C4'—Fe1—C5—C1147.8 (10)Fe2—C31—C32—C3360.8 (2)
C7—Fe1—C5—C1−130.9 (4)C30—C31—C32—Fe2−59.8 (2)
C3—Fe1—C5—C180.7 (2)C30—Fe2—C32—C33−81.0 (2)
C6—Fe1—C5—C1−171.6 (3)C31—Fe2—C32—C33−118.4 (3)
C8—Fe1—C5'—C1'−111.5 (6)C38—Fe2—C32—C33121.24 (19)
C9—Fe1—C5'—C1'−72.1 (5)C35—Fe2—C32—C3350.8 (5)
C4—Fe1—C5'—C1'96.1 (4)C39—Fe2—C32—C3380.3 (2)
C5—Fe1—C5'—C1'121.5 (7)C34—Fe2—C32—C33−37.7 (2)
C10—Fe1—C5'—C1'−52.4 (11)C37—Fe2—C32—C33162.82 (18)
C2'—Fe1—C5'—C1'37.99 (15)C36—Fe2—C32—C33−165.9 (3)
C4'—Fe1—C5'—C1'118.8 (2)C30—Fe2—C32—C3137.5 (2)
C7—Fe1—C5'—C1'−153.6 (6)C38—Fe2—C32—C31−120.3 (2)
C3—Fe1—C5'—C1'55.7 (4)C35—Fe2—C32—C31169.2 (4)
C6—Fe1—C5'—C1'175.1 (6)C39—Fe2—C32—C31−161.29 (19)
C8—Fe1—C5'—C4'129.7 (6)C34—Fe2—C32—C3180.7 (2)
C1'—Fe1—C5'—C4'−118.8 (2)C37—Fe2—C32—C31−78.7 (2)
C9—Fe1—C5'—C4'169.0 (5)C33—Fe2—C32—C31118.4 (3)
C4—Fe1—C5'—C4'−22.7 (4)C36—Fe2—C32—C31−47.5 (4)
C5—Fe1—C5'—C4'2.7 (7)C31—C32—C33—C34−1.0 (4)
C10—Fe1—C5'—C4'−171.3 (11)Fe2—C32—C33—C3459.0 (2)
C2'—Fe1—C5'—C4'−80.8 (3)C31—C32—C33—Fe2−60.1 (2)
C7—Fe1—C5'—C4'87.6 (5)C30—Fe2—C33—C3281.8 (2)
C3—Fe1—C5'—C4'−63.1 (4)C31—Fe2—C33—C3238.3 (2)
C6—Fe1—C5'—C4'56.3 (6)C38—Fe2—C33—C32−75.6 (2)
C4'—C5'—C1'—C2'0.0C35—Fe2—C33—C32−163.04 (19)
Fe1—C5'—C1'—C2'−60.4 (4)C39—Fe2—C33—C32−119.7 (2)
C4'—C5'—C1'—Fe160.4 (4)C34—Fe2—C33—C32119.6 (3)
C8—Fe1—C1'—C5'83.9 (5)C37—Fe2—C33—C32−38.1 (4)
C9—Fe1—C1'—C5'128.6 (5)C36—Fe2—C33—C32158.2 (4)
C4—Fe1—C1'—C5'−65.1 (3)C30—Fe2—C33—C34−37.8 (2)
C5—Fe1—C1'—C5'−22.9 (3)C31—Fe2—C33—C34−81.3 (2)
C10—Fe1—C1'—C5'168.8 (4)C32—Fe2—C33—C34−119.6 (3)
C2'—Fe1—C1'—C5'−118.7 (2)C38—Fe2—C33—C34164.79 (19)
C4'—Fe1—C1'—C5'−37.86 (15)C35—Fe2—C33—C3477.4 (2)
C7—Fe1—C1'—C5'49.8 (6)C39—Fe2—C33—C34120.7 (2)
C3—Fe1—C1'—C5'−107.5 (4)C37—Fe2—C33—C34−157.7 (3)
C8—Fe1—C1'—C2'−157.4 (6)C36—Fe2—C33—C3438.6 (5)
C5'—Fe1—C1'—C2'118.7 (2)C31—C30—C34—C330.0 (4)
C9—Fe1—C1'—C2'−112.7 (6)Fe2—C30—C34—C33−59.9 (2)
C4—Fe1—C1'—C2'53.7 (4)C31—C30—C34—Fe259.9 (2)
C5—Fe1—C1'—C2'95.9 (3)C32—C33—C34—C300.7 (4)
C10—Fe1—C1'—C2'−72.5 (4)Fe2—C33—C34—C3059.6 (2)
C4'—Fe1—C1'—C2'80.9 (3)C32—C33—C34—Fe2−59.0 (2)
C7—Fe1—C1'—C2'168.5 (7)C31—Fe2—C34—C30−37.4 (2)
C3—Fe1—C1'—C2'11.2 (5)C32—Fe2—C34—C30−81.3 (2)
C5'—C1'—C2'—C3'0.0C38—Fe2—C34—C30−156.8 (3)
Fe1—C1'—C2'—C3'−59.8 (3)C35—Fe2—C34—C30117.2 (2)
C5'—C1'—C2'—Fe159.8 (3)C39—Fe2—C34—C30161.70 (19)
C8—Fe1—C2'—C1'44.7 (7)C37—Fe2—C34—C3033.9 (5)
C5'—Fe1—C2'—C1'−38.20 (17)C33—Fe2—C34—C30−118.2 (3)
C9—Fe1—C2'—C1'85.4 (5)C36—Fe2—C34—C3074.2 (2)
C4—Fe1—C2'—C1'−105.9 (4)C30—Fe2—C34—C33118.2 (3)
C5—Fe1—C2'—C1'−61.9 (3)C31—Fe2—C34—C3380.8 (2)
C10—Fe1—C2'—C1'130.5 (5)C32—Fe2—C34—C3336.8 (2)
C4'—Fe1—C2'—C1'−82.1 (2)C38—Fe2—C34—C33−38.6 (5)
C7—Fe1—C2'—C1'−146.5 (13)C35—Fe2—C34—C33−124.7 (2)
C3—Fe1—C2'—C1'−148.7 (13)C39—Fe2—C34—C33−80.1 (2)
C6—Fe1—C2'—C1'171.2 (4)C37—Fe2—C34—C33152.1 (4)
C8—Fe1—C2'—C3'164.0 (6)C36—Fe2—C34—C33−167.60 (19)
C1'—Fe1—C2'—C3'119.33 (16)C30—Fe2—C35—C36−78.7 (2)
C5'—Fe1—C2'—C3'81.1 (2)C31—Fe2—C35—C36−40.8 (4)
C9—Fe1—C2'—C3'−155.3 (4)C32—Fe2—C35—C36156.8 (4)
C4—Fe1—C2'—C3'13.5 (5)C38—Fe2—C35—C3680.85 (17)
C5—Fe1—C2'—C3'57.5 (3)C39—Fe2—C35—C36118.8 (2)
C10—Fe1—C2'—C3'−110.2 (5)C34—Fe2—C35—C36−121.54 (18)
C4'—Fe1—C2'—C3'37.20 (16)C37—Fe2—C35—C3637.26 (16)
C7—Fe1—C2'—C3'−27.1 (13)C33—Fe2—C35—C36−164.35 (18)
C3—Fe1—C2'—C3'−29.4 (12)C30—Fe2—C35—C39162.56 (17)
C6—Fe1—C2'—C3'−69.4 (4)C31—Fe2—C35—C39−159.6 (3)
C1'—C2'—C3'—C4'0.0C32—Fe2—C35—C3938.1 (5)
Fe1—C2'—C3'—C4'−58.6 (3)C38—Fe2—C35—C39−37.94 (14)
C1'—C2'—C3'—Fe158.6 (3)C34—Fe2—C35—C39119.68 (17)
C8—Fe1—C3'—C4'−26.2 (13)C37—Fe2—C35—C39−81.52 (16)
C1'—Fe1—C3'—C4'82.0 (2)C33—Fe2—C35—C3976.87 (19)
C5'—Fe1—C3'—C4'37.67 (15)C36—Fe2—C35—C39−118.8 (2)
C9—Fe1—C3'—C4'170.7 (4)C39—C35—C36—C370.7 (3)
C4—Fe1—C3'—C4'−16.7 (14)Fe2—C35—C36—C37−58.8 (2)
C5—Fe1—C3'—C4'20.0 (3)C39—C35—C36—Fe259.50 (18)
C10—Fe1—C3'—C4'−151.0 (4)C30—Fe2—C36—C35120.25 (18)
C2'—Fe1—C3'—C4'119.83 (18)C31—Fe2—C36—C35162.34 (18)
C7—Fe1—C3'—C4'−66.7 (5)C32—Fe2—C36—C35−164.1 (3)
C3—Fe1—C3'—C4'140.7 (9)C38—Fe2—C36—C35−82.83 (17)
C6—Fe1—C3'—C4'−107.7 (5)C39—Fe2—C36—C35−38.54 (15)
C8—Fe1—C3'—C2'−146.0 (13)C34—Fe2—C36—C3579.8 (2)
C1'—Fe1—C3'—C2'−37.82 (15)C37—Fe2—C36—C35−119.9 (2)
C5'—Fe1—C3'—C2'−82.2 (2)C33—Fe2—C36—C3549.7 (5)
C9—Fe1—C3'—C2'50.9 (5)C30—Fe2—C36—C37−119.86 (18)
C4—Fe1—C3'—C2'−136.5 (14)C31—Fe2—C36—C37−77.8 (2)
C5—Fe1—C3'—C2'−99.8 (3)C32—Fe2—C36—C37−44.2 (4)
C10—Fe1—C3'—C2'89.2 (5)C38—Fe2—C36—C3737.07 (15)
C4'—Fe1—C3'—C2'−119.83 (18)C35—Fe2—C36—C37119.9 (2)
C7—Fe1—C3'—C2'173.5 (5)C39—Fe2—C36—C3781.35 (17)
C3—Fe1—C3'—C2'20.8 (8)C34—Fe2—C36—C37−160.29 (18)
C6—Fe1—C3'—C2'132.4 (5)C33—Fe2—C36—C37169.6 (4)
C2'—C3'—C4'—C5'0.0C35—C36—C37—C380.0 (3)
Fe1—C3'—C4'—C5'−58.4 (3)Fe2—C36—C37—C38−58.68 (19)
C2'—C3'—C4'—Fe158.4 (3)C35—C36—C37—Fe258.7 (2)
C1'—C5'—C4'—C3'0.0C30—Fe2—C37—C38−160.68 (18)
Fe1—C5'—C4'—C3'59.5 (3)C31—Fe2—C37—C38−120.92 (19)
C1'—C5'—C4'—Fe1−59.5 (3)C32—Fe2—C37—C38−79.7 (2)
C8—Fe1—C4'—C3'172.3 (5)C35—Fe2—C37—C3883.10 (17)
C1'—Fe1—C4'—C3'−81.3 (2)C39—Fe2—C37—C3838.33 (16)
C5'—Fe1—C4'—C3'−119.50 (19)C34—Fe2—C37—C38174.1 (4)
C9—Fe1—C4'—C3'−160.3 (9)C33—Fe2—C37—C38−52.8 (4)
C4—Fe1—C4'—C3'10.2 (8)C36—Fe2—C37—C38120.3 (2)
C5—Fe1—C4'—C3'−122.6 (8)C30—Fe2—C37—C3679.0 (2)
C10—Fe1—C4'—C3'57.3 (5)C31—Fe2—C37—C36118.80 (19)
C2'—Fe1—C4'—C3'−37.26 (16)C32—Fe2—C37—C36160.06 (18)
C7—Fe1—C4'—C3'132.3 (6)C38—Fe2—C37—C36−120.3 (2)
C3—Fe1—C4'—C3'−18.2 (4)C35—Fe2—C37—C36−37.18 (16)
C6—Fe1—C4'—C3'90.3 (5)C39—Fe2—C37—C36−81.95 (17)
C8—Fe1—C4'—C5'−68.2 (6)C34—Fe2—C37—C3653.8 (4)
C1'—Fe1—C4'—C5'38.17 (16)C33—Fe2—C37—C36−173.1 (3)
C9—Fe1—C4'—C5'−40.8 (10)C36—C37—C38—C39−0.7 (3)
C4—Fe1—C4'—C5'129.7 (9)Fe2—C37—C38—C39−59.72 (18)
C5—Fe1—C4'—C5'−3.1 (8)C36—C37—C38—Fe259.04 (19)
C10—Fe1—C4'—C5'176.8 (5)C30—Fe2—C38—C3748.0 (4)
C2'—Fe1—C4'—C5'82.2 (2)C31—Fe2—C38—C3776.0 (2)
C7—Fe1—C4'—C5'−108.2 (6)C32—Fe2—C38—C37117.0 (2)
C3—Fe1—C4'—C5'101.3 (4)C35—Fe2—C38—C37−80.39 (18)
C6—Fe1—C4'—C5'−150.2 (5)C39—Fe2—C38—C37−118.7 (2)
C8—Fe1—C6—C1083.73 (17)C34—Fe2—C38—C37−174.4 (3)
C5'—Fe1—C6—C10167.9 (5)C33—Fe2—C38—C37156.98 (19)
C9—Fe1—C6—C1038.52 (15)C36—Fe2—C38—C37−37.01 (17)
C4—Fe1—C6—C10−127.8 (4)C30—Fe2—C38—C39166.6 (3)
C5—Fe1—C6—C10−168.3 (4)C31—Fe2—C38—C39−165.34 (17)
C2'—Fe1—C6—C10−71.0 (6)C32—Fe2—C38—C39−124.31 (18)
C4'—Fe1—C6—C10−154.8 (5)C35—Fe2—C38—C3938.27 (15)
C7—Fe1—C6—C10120.5 (2)C34—Fe2—C38—C39−55.8 (4)
C3—Fe1—C6—C10−84.2 (4)C37—Fe2—C38—C39118.7 (2)
C8—Fe1—C6—C7−36.82 (16)C33—Fe2—C38—C39−84.36 (19)
C5'—Fe1—C6—C747.4 (5)C36—Fe2—C38—C3981.65 (17)
C9—Fe1—C6—C7−82.03 (17)C37—C38—C39—C40168.5 (3)
C4—Fe1—C6—C7111.7 (4)Fe2—C38—C39—C40108.5 (3)
C5—Fe1—C6—C771.1 (5)C37—C38—C39—C351.1 (3)
C10—Fe1—C6—C7−120.5 (2)Fe2—C38—C39—C35−58.93 (18)
C2'—Fe1—C6—C7168.4 (6)C37—C38—C39—Fe260.01 (18)
C4'—Fe1—C6—C784.7 (5)C36—C35—C39—C40−170.0 (2)
C3—Fe1—C6—C7155.2 (4)Fe2—C35—C39—C40−109.9 (2)
C10—C6—C7—C8−1.3 (3)C36—C35—C39—C38−1.1 (3)
Fe1—C6—C7—C857.1 (2)Fe2—C35—C39—C3859.02 (18)
C10—C6—C7—Fe1−58.38 (19)C36—C35—C39—Fe2−60.10 (19)
C1'—Fe1—C7—C851.3 (5)C30—Fe2—C39—C4068.2 (4)
C5'—Fe1—C7—C884.7 (4)C31—Fe2—C39—C40−88.6 (4)
C9—Fe1—C7—C8−39.42 (16)C32—Fe2—C39—C40−52.5 (2)
C4—Fe1—C7—C8152.4 (5)C38—Fe2—C39—C40−126.3 (3)
C5—Fe1—C7—C8108.2 (5)C35—Fe2—C39—C40114.7 (2)
C10—Fe1—C7—C8−84.12 (17)C34—Fe2—C39—C4032.6 (2)
C2'—Fe1—C7—C8−171.5 (12)C37—Fe2—C39—C40−164.1 (2)
C4'—Fe1—C7—C8127.6 (5)C33—Fe2—C39—C40−10.5 (2)
C3—Fe1—C7—C8−170.1 (5)C36—Fe2—C39—C40152.3 (2)
C6—Fe1—C7—C8−120.8 (2)C30—Fe2—C39—C38−165.5 (3)
C8—Fe1—C7—C6120.8 (2)C31—Fe2—C39—C3837.7 (4)
C1'—Fe1—C7—C6172.2 (4)C32—Fe2—C39—C3873.8 (2)
C5'—Fe1—C7—C6−154.4 (4)C35—Fe2—C39—C38−119.0 (2)
C9—Fe1—C7—C681.42 (17)C34—Fe2—C39—C38158.90 (17)
C4—Fe1—C7—C6−86.8 (5)C37—Fe2—C39—C38−37.81 (16)
C5—Fe1—C7—C6−131.0 (5)C33—Fe2—C39—C38115.84 (17)
C10—Fe1—C7—C636.72 (16)C36—Fe2—C39—C38−81.42 (17)
C2'—Fe1—C7—C6−50.7 (12)C30—Fe2—C39—C35−46.6 (4)
C4'—Fe1—C7—C6−111.6 (5)C31—Fe2—C39—C35156.7 (3)
C3—Fe1—C7—C6−49.3 (6)C32—Fe2—C39—C35−167.23 (18)
C6—C7—C8—C92.1 (3)C38—Fe2—C39—C35119.0 (2)
Fe1—C7—C8—C960.55 (18)C34—Fe2—C39—C35−82.14 (19)
C6—C7—C8—Fe1−58.4 (2)C37—Fe2—C39—C3581.15 (17)
C1'—Fe1—C8—C7−152.7 (5)C33—Fe2—C39—C35−125.20 (17)
C5'—Fe1—C8—C7−110.1 (5)C36—Fe2—C39—C3537.54 (16)
C9—Fe1—C8—C7117.7 (2)C58—N2—C40—C39−169.7 (2)
C4—Fe1—C8—C7−55.6 (6)Pd2—N2—C40—C392.5 (4)
C5—Fe1—C8—C7−90.5 (4)C38—C39—C40—N221.2 (5)
C10—Fe1—C8—C779.50 (17)C35—C39—C40—N2−172.9 (2)
C2'—Fe1—C8—C7176.7 (5)Fe2—C39—C40—N2106.4 (3)
C4'—Fe1—C8—C7−71.3 (4)C47—P2—C41—C4218.8 (3)
C3—Fe1—C8—C7156.9 (10)C52—P2—C41—C42134.4 (2)
C6—Fe1—C8—C736.48 (16)Pd2—P2—C41—C42−116.6 (2)
C1'—Fe1—C8—C989.6 (5)C47—P2—C41—C46−161.6 (2)
C5'—Fe1—C8—C9132.2 (5)C52—P2—C41—C46−46.0 (3)
C4—Fe1—C8—C9−173.3 (6)Pd2—P2—C41—C4663.0 (2)
C5—Fe1—C8—C9151.9 (4)C46—C41—C42—C430.4 (4)
C10—Fe1—C8—C9−38.18 (15)P2—C41—C42—C43−180.0 (2)
C2'—Fe1—C8—C959.0 (5)C41—C42—C43—C440.3 (5)
C4'—Fe1—C8—C9171.0 (4)C42—C43—C44—C45−0.4 (5)
C7—Fe1—C8—C9−117.7 (2)C43—C44—C45—C46−0.2 (5)
C3—Fe1—C8—C939.2 (11)C42—C41—C46—C45−1.0 (4)
C6—Fe1—C8—C9−81.19 (17)P2—C41—C46—C45179.3 (2)
C7—C8—C9—C11−166.1 (2)C44—C45—C46—C411.0 (5)
Fe1—C8—C9—C11−104.3 (2)C52—P2—C47—C48−14.2 (3)
C7—C8—C9—C10−2.2 (3)C41—P2—C47—C48100.1 (2)
Fe1—C8—C9—C1059.65 (17)Pd2—P2—C47—C48−124.7 (2)
C7—C8—C9—Fe1−61.82 (19)C52—P2—C47—C53164.2 (2)
C8—Fe1—C9—C11116.7 (3)C41—P2—C47—C53−81.6 (2)
C1'—Fe1—C9—C118.9 (6)Pd2—P2—C47—C5353.6 (2)
C5'—Fe1—C9—C1150.1 (5)C53—C47—C48—C490.1 (4)
C4—Fe1—C9—C11−78.2 (11)P2—C47—C48—C49178.5 (2)
C5—Fe1—C9—C1160.2 (5)C47—C48—C49—C500.9 (5)
C10—Fe1—C9—C11−124.5 (2)C48—C49—C50—C51−1.3 (5)
C2'—Fe1—C9—C11−34.4 (6)C49—C50—C51—C530.5 (5)
C4'—Fe1—C9—C1183.3 (8)C47—P2—C52—C58−100.3 (2)
C7—Fe1—C9—C11154.9 (2)C41—P2—C52—C58143.84 (19)
C3—Fe1—C9—C11−53.3 (4)Pd2—P2—C52—C5822.3 (2)
C6—Fe1—C9—C11−161.9 (2)C47—P2—C52—C5481.5 (3)
C8—Fe1—C9—C10−118.7 (2)C41—P2—C52—C54−34.4 (3)
C1'—Fe1—C9—C10133.5 (6)Pd2—P2—C52—C54−155.9 (2)
C5'—Fe1—C9—C10174.6 (5)C50—C51—C53—C470.6 (5)
C4—Fe1—C9—C1046.3 (11)C48—C47—C53—C51−0.9 (4)
C5—Fe1—C9—C10−175.2 (4)P2—C47—C53—C51−179.3 (2)
C2'—Fe1—C9—C1090.1 (5)C58—C52—C54—C55−0.8 (4)
C4'—Fe1—C9—C10−152.2 (8)P2—C52—C54—C55177.3 (2)
C7—Fe1—C9—C10−80.58 (16)C52—C54—C55—C56−0.7 (5)
C3—Fe1—C9—C1071.2 (3)C54—C55—C56—C571.7 (5)
C6—Fe1—C9—C10−37.34 (15)C55—C56—C57—C58−1.1 (4)
C1'—Fe1—C9—C8−107.8 (6)C56—C57—C58—C52−0.4 (4)
C5'—Fe1—C9—C8−66.6 (5)C56—C57—C58—N2179.3 (2)
C4—Fe1—C9—C8165.0 (10)C54—C52—C58—C571.4 (4)
C5—Fe1—C9—C8−56.5 (5)P2—C52—C58—C57−177.00 (19)
C10—Fe1—C9—C8118.7 (2)C54—C52—C58—N2−178.4 (2)
C2'—Fe1—C9—C8−151.2 (5)P2—C52—C58—N23.3 (3)
C4'—Fe1—C9—C8−33.5 (9)C40—N2—C58—C57−37.7 (3)
C7—Fe1—C9—C838.13 (17)Pd2—N2—C58—C57148.9 (2)
C3—Fe1—C9—C8−170.1 (3)C40—N2—C58—C52142.0 (2)
C6—Fe1—C9—C881.38 (17)Pd2—N2—C58—C52−31.3 (3)
C7—C6—C10—C9−0.1 (3)
Table 1
Selected geometric parameters (Å) top
Pd1—N12.051 (2)Pd2—N22.0616 (18)
Pd1—P12.2118 (6)Pd2—P22.1979 (6)
Pd1—Cl12.2832 (7)Pd2—Cl42.2875 (6)
Pd1—Cl22.3926 (6)Pd2—Cl32.3843 (7)
Acknowledgements top

The work was supported by the Guangdong Pharmaceutical University Young Teachers' Fund and the Ten Hundred Thousand Project of the Bureau of Education of Guangdong Province, China.

references
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