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In the title compound, [FePd(C5H5)(C16H19N)Cl(C18H15P)], the PdII atom is in a slightly distorted square-planar environment. The dihedral angle between the cyclo­penta­dienyl rings of the ferrocenyl group is 0.6 (1)°.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806027759/om2036sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806027759/om2036Isup2.hkl
Contains datablock I

CCDC reference: 294951

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.005 Å
  • R factor = 0.029
  • wR factor = 0.068
  • Data-to-parameter ratio = 14.4

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 21 CL1 -PD1 -C1 -C2 -179.60 0.40 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 24 CL1 -PD1 -C1 -C5 -0.50 0.70 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 27 CL1 -PD1 -C1 -FE1 -80.40 0.60 1.555 1.555 1.555 1.555
Alert level G PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature . 293 K
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 4 ALERT level C = Check and explain 2 ALERT level G = General alerts; check 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: APEX2 (Bruker, 2003); cell refinement: SAINT (Bruker, 2003); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1998); software used to prepare material for publication: SHELXTL.

Chloro[2-{1-[N-(4-methylbenzyl)-N-methylamino]ethyl}ferrocenyl- κ2N,C1](triphenylphosphine-κP)palladium(II) top
Crystal data top
[FePd(C5H5)(C16H19N)Cl(C18H15P)]F(000) = 768
Mr = 750.38Dx = 1.509 Mg m3
Triclinic, P1Melting point: 473 K
a = 10.305 (3) ÅMo Kα radiation, λ = 0.71073 Å
b = 10.681 (4) ÅCell parameters from 2941 reflections
c = 17.584 (6) Åθ = 2.3–25.5°
α = 92.012 (5)°µ = 1.14 mm1
β = 105.451 (4)°T = 293 K
γ = 115.978 (4)°Block, red
V = 1651.0 (10) Å30.28 × 0.22 × 0.20 mm
Z = 2
Data collection top
Bruker APEXII CCD area-detector
diffractometer
5765 independent reflections
Radiation source: fine-focus sealed tube4565 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.017
φ and ω scansθmax = 25.0°, θmin = 2.2°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 912
Tmin = 0.72, Tmax = 0.80k = 1212
9065 measured reflectionsl = 2018
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) = 0.068H-atom parameters constrained
S = 1.02 w = 1/[σ2(Fo2) + (0.0354P)2]
where P = (Fo2 + 2Fc2)/3
5765 reflections(Δ/σ)max = 0.001
400 parametersΔρmax = 0.40 e Å3
0 restraintsΔρmin = 0.36 e Å3
Special details top

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Pd10.76168 (2)0.72856 (2)0.251505 (13)0.03313 (8)
Fe10.51979 (4)0.71127 (4)0.36993 (2)0.03301 (11)
Cl10.84157 (11)0.61271 (10)0.16943 (6)0.0668 (3)
P10.67631 (8)0.82912 (7)0.15323 (5)0.03431 (18)
N10.8857 (2)0.6810 (2)0.36294 (14)0.0353 (6)
C10.7062 (3)0.8156 (3)0.33133 (17)0.0342 (6)
C20.6328 (3)0.9005 (3)0.33643 (18)0.0385 (7)
H20.58880.93690.29170.046*
C30.6309 (3)0.9217 (3)0.41647 (18)0.0437 (7)
H30.58700.97590.43630.052*
C40.7041 (3)0.8510 (3)0.46260 (18)0.0401 (7)
H40.72000.84760.51980.048*
C50.7497 (3)0.7859 (3)0.41042 (17)0.0331 (6)
C60.3695 (3)0.5341 (3)0.2855 (2)0.0492 (8)
H60.38200.50760.23500.059*
C70.3001 (3)0.6184 (3)0.2971 (2)0.0509 (8)
H70.25520.66010.25600.061*
C80.3055 (3)0.6310 (3)0.3781 (2)0.0497 (8)
H80.26510.68320.40310.060*
C90.3795 (3)0.5548 (3)0.4172 (2)0.0466 (8)
H90.39940.54510.47380.056*
C100.4181 (3)0.4950 (3)0.3596 (2)0.0459 (8)
H100.47100.43720.36950.055*
C110.8267 (3)0.6947 (3)0.43082 (17)0.0366 (7)
H110.74750.60020.43050.044*
C120.9432 (4)0.7456 (4)0.5150 (2)0.0591 (9)
H12A1.01490.84310.52030.089*
H12B0.99590.68960.52310.089*
H12C0.89170.73580.55430.089*
C131.0392 (3)0.8014 (3)0.3747 (2)0.0479 (8)
H13A1.11190.79500.41950.072*
H13B1.03660.88900.38480.072*
H13C1.06780.79770.32730.072*
C140.9017 (3)0.5481 (3)0.35859 (19)0.0398 (7)
H14A0.97810.55510.40720.048*
H14B0.93830.54150.31390.048*
C150.7571 (3)0.4140 (3)0.34865 (18)0.0366 (7)
C160.7238 (3)0.3550 (3)0.41487 (19)0.0408 (7)
H160.79330.39700.46580.049*
C170.5884 (3)0.2345 (3)0.4056 (2)0.0472 (8)
H170.56790.19750.45060.057*
C180.4834 (3)0.1683 (3)0.3308 (2)0.0458 (8)
C190.3338 (4)0.0381 (3)0.3210 (2)0.0660 (10)
H19A0.32610.01780.37280.099*
H19B0.32960.04100.29080.099*
H19C0.25110.05520.29310.099*
C200.5191 (3)0.2242 (3)0.2655 (2)0.0515 (8)
H200.45140.17950.21450.062*
C210.6536 (3)0.3459 (3)0.2739 (2)0.0484 (8)
H210.67410.38170.22860.058*
C220.7004 (3)0.7893 (3)0.05711 (17)0.0389 (7)
C230.5816 (4)0.7059 (3)0.01136 (19)0.0495 (8)
H230.48190.66620.01030.059*
C240.6113 (5)0.6815 (4)0.0816 (2)0.0642 (10)
H240.53130.62530.12730.077*
C250.7561 (5)0.7392 (4)0.0837 (2)0.0639 (10)
H250.77450.72370.13120.077*
C260.8756 (4)0.8201 (3)0.0168 (2)0.0538 (9)
H260.97480.85800.01860.065*
C270.8481 (3)0.8449 (3)0.05348 (19)0.0455 (8)
H270.92940.89960.09900.055*
C280.7812 (3)1.0222 (3)0.17129 (17)0.0373 (7)
C290.7517 (4)1.0954 (3)0.11011 (19)0.0501 (8)
H290.67771.04560.06130.060*
C300.8314 (4)1.2406 (3)0.1215 (2)0.0554 (9)
H300.80961.28860.08080.066*
C310.9422 (4)1.3140 (3)0.1923 (2)0.0557 (9)
H310.99581.41210.19990.067*
C320.9748 (4)1.2439 (3)0.2524 (2)0.0595 (9)
H321.05211.29450.30010.071*
C330.8935 (3)1.0981 (3)0.24257 (18)0.0452 (8)
H330.91461.05140.28410.054*
C340.4759 (3)0.7857 (3)0.12706 (17)0.0397 (7)
C350.4244 (3)0.8855 (3)0.13014 (19)0.0513 (8)
H350.49370.98120.14520.062*
C360.2703 (4)0.8431 (4)0.1108 (2)0.0638 (10)
H360.23680.91070.11270.077*
C370.1652 (4)0.7011 (4)0.0888 (2)0.0644 (10)
H370.06190.67330.07660.077*
C380.2150 (4)0.6027 (4)0.0851 (2)0.0613 (10)
H380.14500.50730.06940.074*
C390.3691 (3)0.6436 (3)0.1045 (2)0.0529 (9)
H390.40150.57520.10240.063*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Pd10.03070 (12)0.03056 (12)0.04425 (15)0.01479 (9)0.01919 (10)0.01345 (9)
Fe10.0288 (2)0.0335 (2)0.0379 (3)0.01455 (17)0.01182 (18)0.00726 (18)
Cl10.1016 (7)0.0749 (6)0.0788 (7)0.0655 (6)0.0650 (6)0.0417 (5)
P10.0319 (4)0.0305 (4)0.0380 (4)0.0118 (3)0.0117 (3)0.0071 (3)
N10.0239 (11)0.0318 (12)0.0524 (16)0.0128 (10)0.0148 (11)0.0140 (11)
C10.0268 (14)0.0284 (14)0.0459 (18)0.0103 (11)0.0134 (13)0.0077 (12)
C20.0398 (16)0.0302 (14)0.0477 (19)0.0173 (13)0.0148 (14)0.0096 (13)
C30.0491 (18)0.0339 (15)0.052 (2)0.0216 (14)0.0175 (15)0.0015 (14)
C40.0385 (16)0.0378 (16)0.0353 (17)0.0133 (13)0.0069 (14)0.0009 (13)
C50.0245 (14)0.0279 (14)0.0422 (18)0.0080 (11)0.0107 (12)0.0058 (12)
C60.0403 (17)0.0390 (17)0.053 (2)0.0067 (14)0.0134 (16)0.0021 (15)
C70.0309 (16)0.0519 (19)0.053 (2)0.0112 (14)0.0018 (15)0.0117 (16)
C80.0304 (16)0.0568 (19)0.064 (2)0.0209 (14)0.0170 (16)0.0144 (17)
C90.0378 (16)0.0517 (18)0.050 (2)0.0175 (14)0.0179 (15)0.0193 (16)
C100.0343 (16)0.0330 (15)0.064 (2)0.0089 (13)0.0172 (16)0.0109 (15)
C110.0298 (14)0.0365 (15)0.0470 (19)0.0171 (12)0.0136 (13)0.0129 (13)
C120.054 (2)0.078 (2)0.051 (2)0.0403 (18)0.0055 (17)0.0151 (18)
C130.0261 (15)0.0379 (16)0.077 (2)0.0097 (13)0.0192 (15)0.0186 (16)
C140.0318 (15)0.0382 (15)0.056 (2)0.0196 (13)0.0166 (14)0.0166 (14)
C150.0380 (16)0.0333 (15)0.0496 (19)0.0222 (13)0.0199 (15)0.0140 (14)
C160.0439 (17)0.0366 (16)0.0443 (19)0.0206 (14)0.0139 (14)0.0119 (14)
C170.057 (2)0.0316 (15)0.063 (2)0.0215 (15)0.0320 (18)0.0190 (15)
C180.0442 (18)0.0320 (15)0.064 (2)0.0144 (13)0.0264 (17)0.0112 (15)
C190.057 (2)0.0442 (19)0.083 (3)0.0052 (16)0.033 (2)0.0055 (18)
C200.0511 (19)0.0448 (18)0.049 (2)0.0151 (15)0.0133 (16)0.0058 (16)
C210.0523 (19)0.0428 (17)0.053 (2)0.0193 (15)0.0255 (17)0.0169 (16)
C220.0442 (17)0.0327 (15)0.0373 (18)0.0149 (13)0.0142 (14)0.0082 (13)
C230.0488 (19)0.0521 (19)0.043 (2)0.0221 (15)0.0104 (16)0.0044 (16)
C240.079 (3)0.061 (2)0.040 (2)0.030 (2)0.0070 (19)0.0042 (17)
C250.094 (3)0.060 (2)0.046 (2)0.037 (2)0.032 (2)0.0115 (18)
C260.062 (2)0.0492 (19)0.060 (2)0.0239 (17)0.0368 (19)0.0174 (17)
C270.0468 (18)0.0439 (17)0.0433 (19)0.0158 (14)0.0195 (15)0.0065 (14)
C280.0399 (16)0.0318 (15)0.0404 (18)0.0152 (13)0.0153 (14)0.0101 (13)
C290.061 (2)0.0441 (18)0.0409 (19)0.0240 (16)0.0099 (16)0.0119 (15)
C300.072 (2)0.0386 (18)0.062 (2)0.0272 (17)0.027 (2)0.0225 (17)
C310.065 (2)0.0324 (16)0.063 (2)0.0122 (15)0.0262 (19)0.0102 (17)
C320.056 (2)0.0422 (18)0.051 (2)0.0027 (15)0.0076 (17)0.0024 (16)
C330.0445 (17)0.0380 (16)0.0425 (19)0.0113 (14)0.0106 (15)0.0128 (14)
C340.0339 (16)0.0464 (17)0.0374 (18)0.0169 (14)0.0118 (13)0.0101 (14)
C350.0462 (19)0.058 (2)0.051 (2)0.0284 (16)0.0100 (16)0.0040 (16)
C360.053 (2)0.090 (3)0.055 (2)0.046 (2)0.0068 (18)0.003 (2)
C370.0377 (19)0.103 (3)0.048 (2)0.030 (2)0.0115 (16)0.016 (2)
C380.0402 (19)0.064 (2)0.060 (2)0.0097 (17)0.0115 (17)0.0147 (18)
C390.0417 (18)0.0513 (19)0.059 (2)0.0165 (15)0.0143 (16)0.0163 (17)
Geometric parameters (Å, º) top
Pd1—C11.990 (3)C14—H14B0.9700
Pd1—N12.244 (2)C15—C211.379 (4)
Pd1—P12.2499 (9)C15—C161.395 (4)
Pd1—Cl12.3858 (10)C16—C171.386 (4)
Fe1—C72.037 (3)C16—H160.9300
Fe1—C32.037 (3)C17—C181.380 (4)
Fe1—C82.038 (3)C17—H170.9300
Fe1—C52.040 (3)C18—C201.375 (4)
Fe1—C22.043 (3)C18—C191.517 (4)
Fe1—C42.046 (3)C19—H19A0.9600
Fe1—C62.047 (3)C19—H19B0.9600
Fe1—C92.048 (3)C19—H19C0.9600
Fe1—C102.053 (3)C20—C211.390 (4)
Fe1—C12.065 (3)C20—H200.9300
P1—C341.826 (3)C21—H210.9300
P1—C281.828 (3)C22—C231.387 (4)
P1—C221.834 (3)C22—C271.391 (4)
N1—C131.491 (3)C23—C241.391 (5)
N1—C141.500 (3)C23—H230.9300
N1—C111.506 (4)C24—C251.354 (5)
C1—C21.427 (4)C24—H240.9300
C1—C51.435 (4)C25—C261.369 (5)
C2—C31.424 (4)C25—H250.9300
C2—H20.9800C26—C271.381 (4)
C3—C41.419 (4)C26—H260.9300
C3—H30.9800C27—H270.9300
C4—C51.420 (4)C28—C331.379 (4)
C4—H40.9800C28—C291.398 (4)
C5—C111.503 (4)C29—C301.376 (4)
C6—C71.412 (4)C29—H290.9300
C6—C101.413 (4)C30—C311.364 (4)
C6—H60.9800C30—H300.9300
C7—C81.409 (5)C31—C321.370 (4)
C7—H70.9800C31—H310.9300
C8—C91.422 (4)C32—C331.384 (4)
C8—H80.9800C32—H320.9300
C9—C101.408 (4)C33—H330.9300
C9—H90.9800C34—C351.389 (4)
C10—H100.9800C34—C391.390 (4)
C11—C121.534 (4)C35—C361.383 (4)
C11—H110.9800C35—H350.9300
C12—H12A0.9600C36—C371.385 (5)
C12—H12B0.9600C36—H360.9300
C12—H12C0.9600C37—C381.363 (5)
C13—H13A0.9600C37—H370.9300
C13—H13B0.9600C38—C391.387 (4)
C13—H13C0.9600C38—H380.9300
C14—C151.509 (4)C39—H390.9300
C14—H14A0.9700
C1—Pd1—N181.22 (10)C8—C9—Fe169.25 (17)
C1—Pd1—P192.93 (8)C10—C9—H9126.2
N1—Pd1—P1166.55 (6)C8—C9—H9126.2
C1—Pd1—Cl1172.75 (8)Fe1—C9—H9126.2
N1—Pd1—Cl191.60 (7)C9—C10—C6108.4 (3)
P1—Pd1—Cl194.31 (4)C9—C10—Fe169.74 (17)
C7—Fe1—C3120.88 (13)C6—C10—Fe169.62 (16)
C7—Fe1—C840.47 (13)C9—C10—H10125.8
C3—Fe1—C8107.99 (13)C6—C10—H10125.8
C7—Fe1—C5161.86 (13)Fe1—C10—H10125.8
C3—Fe1—C568.21 (11)C5—C11—N1107.0 (2)
C8—Fe1—C5156.31 (12)C5—C11—C12112.8 (2)
C7—Fe1—C2107.70 (12)N1—C11—C12116.0 (2)
C3—Fe1—C240.86 (11)C5—C11—H11106.8
C8—Fe1—C2125.46 (12)N1—C11—H11106.8
C5—Fe1—C267.96 (11)C12—C11—H11106.8
C7—Fe1—C4155.97 (13)C11—C12—H12A109.5
C3—Fe1—C440.66 (11)C11—C12—H12B109.5
C8—Fe1—C4121.10 (13)H12A—C12—H12B109.5
C5—Fe1—C440.68 (11)C11—C12—H12C109.5
C2—Fe1—C468.48 (12)H12A—C12—H12C109.5
C7—Fe1—C640.45 (12)H12B—C12—H12C109.5
C3—Fe1—C6155.83 (12)N1—C13—H13A109.5
C8—Fe1—C667.94 (13)N1—C13—H13B109.5
C5—Fe1—C6125.25 (12)H13A—C13—H13B109.5
C2—Fe1—C6120.67 (13)N1—C13—H13C109.5
C4—Fe1—C6162.15 (12)H13A—C13—H13C109.5
C7—Fe1—C968.27 (12)H13B—C13—H13C109.5
C3—Fe1—C9125.55 (13)N1—C14—C15114.6 (2)
C8—Fe1—C940.72 (12)N1—C14—H14A108.6
C5—Fe1—C9121.11 (11)C15—C14—H14A108.6
C2—Fe1—C9162.75 (12)N1—C14—H14B108.6
C4—Fe1—C9107.94 (12)C15—C14—H14B108.6
C6—Fe1—C967.93 (13)H14A—C14—H14B107.6
C7—Fe1—C1067.92 (12)C21—C15—C16117.9 (3)
C3—Fe1—C10162.34 (13)C21—C15—C14121.1 (3)
C8—Fe1—C1067.83 (12)C16—C15—C14121.0 (3)
C5—Fe1—C10108.28 (11)C17—C16—C15120.7 (3)
C2—Fe1—C10155.56 (13)C17—C16—H16119.6
C4—Fe1—C10125.47 (12)C15—C16—H16119.6
C6—Fe1—C1040.32 (12)C18—C17—C16121.3 (3)
C9—Fe1—C1040.16 (12)C18—C17—H17119.4
C7—Fe1—C1124.37 (13)C16—C17—H17119.4
C3—Fe1—C169.00 (11)C20—C18—C17117.7 (3)
C8—Fe1—C1161.69 (12)C20—C18—C19121.1 (3)
C5—Fe1—C140.90 (11)C17—C18—C19121.2 (3)
C2—Fe1—C140.63 (10)C18—C19—H19A109.5
C4—Fe1—C169.16 (12)C18—C19—H19B109.5
C6—Fe1—C1106.98 (12)H19A—C19—H19B109.5
C9—Fe1—C1155.54 (11)C18—C19—H19C109.5
C10—Fe1—C1120.50 (12)H19A—C19—H19C109.5
C34—P1—C28105.71 (13)H19B—C19—H19C109.5
C34—P1—C22103.92 (13)C18—C20—C21121.7 (3)
C28—P1—C2299.89 (13)C18—C20—H20119.2
C34—P1—Pd1116.58 (9)C21—C20—H20119.2
C28—P1—Pd1114.22 (10)C15—C21—C20120.7 (3)
C22—P1—Pd1114.66 (10)C15—C21—H21119.7
C13—N1—C14107.0 (2)C20—C21—H21119.7
C13—N1—C11111.1 (2)C23—C22—C27118.2 (3)
C14—N1—C11110.5 (2)C23—C22—P1124.4 (2)
C13—N1—Pd197.28 (16)C27—C22—P1117.4 (2)
C14—N1—Pd1119.33 (18)C22—C23—C24120.2 (3)
C11—N1—Pd1110.66 (15)C22—C23—H23119.9
C2—C1—C5105.8 (3)C24—C23—H23119.9
C2—C1—Pd1140.3 (2)C25—C24—C23120.3 (3)
C5—C1—Pd1113.87 (19)C25—C24—H24119.9
C2—C1—Fe168.86 (15)C23—C24—H24119.9
C5—C1—Fe168.60 (14)C24—C25—C26120.8 (3)
Pd1—C1—Fe1125.26 (13)C24—C25—H25119.6
C3—C2—C1109.2 (3)C26—C25—H25119.6
C3—C2—Fe169.32 (16)C25—C26—C27119.6 (3)
C1—C2—Fe170.51 (15)C25—C26—H26120.2
C3—C2—H2125.4C27—C26—H26120.2
C1—C2—H2125.4C26—C27—C22120.9 (3)
Fe1—C2—H2125.4C26—C27—H27119.5
C4—C3—C2108.1 (3)C22—C27—H27119.5
C4—C3—Fe170.03 (15)C33—C28—C29118.7 (2)
C2—C3—Fe169.82 (16)C33—C28—P1121.9 (2)
C4—C3—H3126.0C29—C28—P1119.3 (2)
C2—C3—H3126.0C30—C29—C28120.6 (3)
Fe1—C3—H3126.0C30—C29—H29119.7
C3—C4—C5107.3 (3)C28—C29—H29119.7
C3—C4—Fe169.32 (16)C31—C30—C29120.0 (3)
C5—C4—Fe169.42 (15)C31—C30—H30120.0
C3—C4—H4126.4C29—C30—H30120.0
C5—C4—H4126.4C30—C31—C32120.3 (3)
Fe1—C4—H4126.4C30—C31—H31119.8
C4—C5—C1109.7 (2)C32—C31—H31119.8
C4—C5—C11127.2 (3)C31—C32—C33120.4 (3)
C1—C5—C11123.1 (3)C31—C32—H32119.8
C4—C5—Fe169.90 (15)C33—C32—H32119.8
C1—C5—Fe170.50 (14)C28—C33—C32120.1 (3)
C11—C5—Fe1124.34 (17)C28—C33—H33120.0
C7—C6—C10107.9 (3)C32—C33—H33120.0
C7—C6—Fe169.36 (17)C35—C34—C39118.4 (3)
C10—C6—Fe170.06 (17)C35—C34—P1124.0 (2)
C7—C6—H6126.0C39—C34—P1117.6 (2)
C10—C6—H6126.0C36—C35—C34120.2 (3)
Fe1—C6—H6126.0C36—C35—H35119.9
C8—C7—C6108.0 (3)C34—C35—H35119.9
C8—C7—Fe169.81 (17)C35—C36—C37120.9 (3)
C6—C7—Fe170.19 (17)C35—C36—H36119.6
C8—C7—H7126.0C37—C36—H36119.6
C6—C7—H7126.0C38—C37—C36119.2 (3)
Fe1—C7—H7126.0C38—C37—H37120.4
C7—C8—C9108.1 (3)C36—C37—H37120.4
C7—C8—Fe169.71 (17)C37—C38—C39120.5 (3)
C9—C8—Fe170.03 (16)C37—C38—H38119.7
C7—C8—H8125.9C39—C38—H38119.7
C9—C8—H8125.9C38—C39—C34120.8 (3)
Fe1—C8—H8125.9C38—C39—H39119.6
C10—C9—C8107.5 (3)C34—C39—H39119.6
C10—C9—Fe170.10 (16)
C1—Pd1—P1—C3459.41 (13)C7—Fe1—C6—C10119.1 (3)
N1—Pd1—P1—C34123.1 (3)C3—Fe1—C6—C10166.2 (3)
Cl1—Pd1—P1—C34121.08 (11)C8—Fe1—C6—C1081.3 (2)
C1—Pd1—P1—C2864.44 (13)C5—Fe1—C6—C1076.2 (2)
N1—Pd1—P1—C280.7 (3)C2—Fe1—C6—C10159.55 (17)
Cl1—Pd1—P1—C28115.07 (11)C4—Fe1—C6—C1042.8 (5)
C1—Pd1—P1—C22178.88 (12)C9—Fe1—C6—C1037.18 (17)
N1—Pd1—P1—C22115.2 (3)C1—Fe1—C6—C10117.40 (18)
Cl1—Pd1—P1—C220.63 (10)C10—C6—C7—C80.1 (3)
C1—Pd1—N1—C1398.44 (18)Fe1—C6—C7—C859.8 (2)
P1—Pd1—N1—C1333.5 (4)C10—C6—C7—Fe159.68 (19)
Cl1—Pd1—N1—C1382.60 (17)C3—Fe1—C7—C881.6 (2)
C1—Pd1—N1—C14147.36 (18)C5—Fe1—C7—C8162.6 (3)
P1—Pd1—N1—C14147.7 (2)C2—Fe1—C7—C8124.34 (19)
Cl1—Pd1—N1—C1431.60 (17)C4—Fe1—C7—C847.6 (4)
C1—Pd1—N1—C1117.45 (16)C6—Fe1—C7—C8118.9 (3)
P1—Pd1—N1—C1182.4 (3)C9—Fe1—C7—C837.82 (19)
Cl1—Pd1—N1—C11161.50 (15)C10—Fe1—C7—C881.3 (2)
N1—Pd1—C1—C2172.1 (3)C1—Fe1—C7—C8166.03 (17)
P1—Pd1—C1—C24.3 (3)C3—Fe1—C7—C6159.57 (18)
Cl1—Pd1—C1—C2179.6 (4)C8—Fe1—C7—C6118.9 (3)
N1—Pd1—C1—C58.78 (17)C5—Fe1—C7—C643.7 (4)
P1—Pd1—C1—C5176.60 (17)C2—Fe1—C7—C6116.80 (19)
Cl1—Pd1—C1—C50.5 (7)C4—Fe1—C7—C6166.5 (3)
N1—Pd1—C1—Fe188.65 (16)C9—Fe1—C7—C681.0 (2)
P1—Pd1—C1—Fe1103.53 (15)C10—Fe1—C7—C637.59 (19)
Cl1—Pd1—C1—Fe180.4 (6)C1—Fe1—C7—C675.1 (2)
C7—Fe1—C1—C276.6 (2)C6—C7—C8—C90.3 (3)
C3—Fe1—C1—C237.18 (17)Fe1—C7—C8—C959.7 (2)
C8—Fe1—C1—C246.7 (5)C6—C7—C8—Fe160.0 (2)
C5—Fe1—C1—C2117.7 (2)C3—Fe1—C8—C7116.8 (2)
C4—Fe1—C1—C280.85 (18)C5—Fe1—C8—C7166.6 (2)
C6—Fe1—C1—C2117.59 (18)C2—Fe1—C8—C775.0 (2)
C9—Fe1—C1—C2168.5 (3)C4—Fe1—C8—C7159.43 (18)
C10—Fe1—C1—C2159.39 (17)C6—Fe1—C8—C737.82 (18)
C7—Fe1—C1—C5165.66 (16)C9—Fe1—C8—C7119.2 (3)
C3—Fe1—C1—C580.54 (17)C10—Fe1—C8—C781.5 (2)
C8—Fe1—C1—C5164.4 (4)C1—Fe1—C8—C739.4 (5)
C2—Fe1—C1—C5117.7 (2)C7—Fe1—C8—C9119.2 (3)
C4—Fe1—C1—C536.87 (15)C3—Fe1—C8—C9124.0 (2)
C6—Fe1—C1—C5124.69 (17)C5—Fe1—C8—C947.4 (4)
C9—Fe1—C1—C550.8 (3)C2—Fe1—C8—C9165.89 (19)
C10—Fe1—C1—C582.88 (18)C4—Fe1—C8—C981.4 (2)
C7—Fe1—C1—Pd160.9 (2)C6—Fe1—C8—C981.3 (2)
C3—Fe1—C1—Pd1174.67 (19)C10—Fe1—C8—C937.67 (19)
C8—Fe1—C1—Pd190.8 (4)C1—Fe1—C8—C9158.5 (3)
C5—Fe1—C1—Pd1104.8 (2)C7—C8—C9—C100.4 (3)
C2—Fe1—C1—Pd1137.5 (3)Fe1—C8—C9—C1059.91 (19)
C4—Fe1—C1—Pd1141.66 (19)C7—C8—C9—Fe159.5 (2)
C6—Fe1—C1—Pd119.90 (19)C7—Fe1—C9—C1081.1 (2)
C9—Fe1—C1—Pd154.0 (4)C3—Fe1—C9—C10165.71 (17)
C10—Fe1—C1—Pd121.9 (2)C8—Fe1—C9—C10118.7 (3)
C5—C1—C2—C30.2 (3)C5—Fe1—C9—C1081.6 (2)
Pd1—C1—C2—C3178.9 (2)C2—Fe1—C9—C10160.7 (4)
Fe1—C1—C2—C358.68 (19)C4—Fe1—C9—C10124.19 (18)
C5—C1—C2—Fe158.93 (17)C6—Fe1—C9—C1037.32 (18)
Pd1—C1—C2—Fe1120.2 (3)C1—Fe1—C9—C1045.2 (4)
C7—Fe1—C2—C3117.03 (19)C7—Fe1—C9—C837.6 (2)
C8—Fe1—C2—C375.9 (2)C3—Fe1—C9—C875.6 (2)
C5—Fe1—C2—C381.71 (18)C5—Fe1—C9—C8159.78 (19)
C4—Fe1—C2—C337.75 (17)C2—Fe1—C9—C842.0 (5)
C6—Fe1—C2—C3159.35 (18)C4—Fe1—C9—C8117.1 (2)
C9—Fe1—C2—C343.5 (5)C6—Fe1—C9—C881.4 (2)
C10—Fe1—C2—C3167.5 (3)C10—Fe1—C9—C8118.7 (3)
C1—Fe1—C2—C3120.4 (2)C1—Fe1—C9—C8163.9 (3)
C7—Fe1—C2—C1122.55 (19)C8—C9—C10—C60.3 (3)
C3—Fe1—C2—C1120.4 (2)Fe1—C9—C10—C659.07 (19)
C8—Fe1—C2—C1163.70 (18)C8—C9—C10—Fe159.4 (2)
C5—Fe1—C2—C138.70 (17)C7—C6—C10—C90.1 (3)
C4—Fe1—C2—C182.66 (18)Fe1—C6—C10—C959.14 (19)
C6—Fe1—C2—C180.2 (2)C7—C6—C10—Fe159.24 (19)
C9—Fe1—C2—C1163.9 (4)C7—Fe1—C10—C982.0 (2)
C10—Fe1—C2—C147.1 (3)C3—Fe1—C10—C941.4 (5)
C1—C2—C3—C40.4 (3)C8—Fe1—C10—C938.17 (18)
Fe1—C2—C3—C459.80 (19)C5—Fe1—C10—C9116.89 (18)
C1—C2—C3—Fe159.40 (18)C2—Fe1—C10—C9166.3 (2)
C7—Fe1—C3—C4159.56 (18)C4—Fe1—C10—C975.1 (2)
C8—Fe1—C3—C4117.10 (18)C6—Fe1—C10—C9119.7 (3)
C5—Fe1—C3—C438.00 (17)C1—Fe1—C10—C9160.06 (17)
C2—Fe1—C3—C4119.1 (2)C7—Fe1—C10—C637.71 (19)
C6—Fe1—C3—C4166.8 (3)C3—Fe1—C10—C6161.2 (3)
C9—Fe1—C3—C475.5 (2)C8—Fe1—C10—C681.6 (2)
C10—Fe1—C3—C443.8 (5)C5—Fe1—C10—C6123.38 (19)
C1—Fe1—C3—C482.07 (18)C2—Fe1—C10—C646.6 (4)
C7—Fe1—C3—C281.4 (2)C4—Fe1—C10—C6165.19 (18)
C8—Fe1—C3—C2123.85 (18)C9—Fe1—C10—C6119.7 (3)
C5—Fe1—C3—C281.05 (18)C1—Fe1—C10—C680.2 (2)
C4—Fe1—C3—C2119.1 (2)C4—C5—C11—N1166.4 (2)
C6—Fe1—C3—C247.8 (4)C1—C5—C11—N116.0 (3)
C9—Fe1—C3—C2165.48 (16)Fe1—C5—C11—N1103.9 (2)
C10—Fe1—C3—C2162.9 (3)C4—C5—C11—C1237.6 (4)
C1—Fe1—C3—C236.98 (16)C1—C5—C11—C12144.7 (3)
C2—C3—C4—C50.4 (3)Fe1—C5—C11—C12127.4 (2)
Fe1—C3—C4—C559.29 (18)C13—N1—C11—C586.1 (3)
C2—C3—C4—Fe159.68 (19)C14—N1—C11—C5155.3 (2)
C7—Fe1—C4—C347.4 (4)Pd1—N1—C11—C520.9 (2)
C8—Fe1—C4—C381.4 (2)C13—N1—C11—C1240.8 (3)
C5—Fe1—C4—C3118.7 (2)C14—N1—C11—C1277.9 (3)
C2—Fe1—C4—C337.93 (17)Pd1—N1—C11—C12147.7 (2)
C6—Fe1—C4—C3162.3 (4)C13—N1—C14—C15178.6 (3)
C9—Fe1—C4—C3124.13 (18)C11—N1—C14—C1557.5 (3)
C10—Fe1—C4—C3165.05 (18)Pd1—N1—C14—C1572.5 (3)
C1—Fe1—C4—C381.65 (18)N1—C14—C15—C2185.4 (3)
C7—Fe1—C4—C5166.1 (3)N1—C14—C15—C1694.6 (3)
C3—Fe1—C4—C5118.7 (2)C21—C15—C16—C172.2 (4)
C8—Fe1—C4—C5159.84 (16)C14—C15—C16—C17177.8 (3)
C2—Fe1—C4—C580.78 (17)C15—C16—C17—C180.7 (5)
C6—Fe1—C4—C543.6 (5)C16—C17—C18—C201.3 (5)
C9—Fe1—C4—C5117.16 (17)C16—C17—C18—C19178.7 (3)
C10—Fe1—C4—C576.2 (2)C17—C18—C20—C212.0 (5)
C1—Fe1—C4—C537.07 (15)C19—C18—C20—C21178.0 (3)
C3—C4—C5—C10.2 (3)C16—C15—C21—C201.5 (4)
Fe1—C4—C5—C159.46 (17)C14—C15—C21—C20178.4 (3)
C3—C4—C5—C11177.7 (2)C18—C20—C21—C150.6 (5)
Fe1—C4—C5—C11118.5 (3)C34—P1—C22—C2317.3 (3)
C3—C4—C5—Fe159.22 (18)C28—P1—C22—C23126.3 (3)
C2—C1—C5—C40.0 (3)Pd1—P1—C22—C23111.1 (2)
Pd1—C1—C5—C4179.40 (17)C34—P1—C22—C27163.8 (2)
Fe1—C1—C5—C459.10 (18)C28—P1—C22—C2754.8 (2)
C2—C1—C5—C11178.0 (2)Pd1—P1—C22—C2767.8 (2)
Pd1—C1—C5—C111.4 (3)C27—C22—C23—C241.0 (4)
Fe1—C1—C5—C11118.9 (2)P1—C22—C23—C24179.9 (2)
C2—C1—C5—Fe159.10 (17)C22—C23—C24—C250.2 (5)
Pd1—C1—C5—Fe1120.31 (15)C23—C24—C25—C261.2 (5)
C7—Fe1—C5—C4161.7 (3)C24—C25—C26—C271.0 (5)
C3—Fe1—C5—C437.98 (16)C25—C26—C27—C220.2 (5)
C8—Fe1—C5—C447.2 (3)C23—C22—C27—C261.2 (4)
C2—Fe1—C5—C482.18 (17)P1—C22—C27—C26179.8 (2)
C6—Fe1—C5—C4165.00 (17)C34—P1—C28—C33124.0 (3)
C9—Fe1—C5—C481.37 (19)C22—P1—C28—C33128.4 (3)
C10—Fe1—C5—C4123.58 (17)Pd1—P1—C28—C335.5 (3)
C1—Fe1—C5—C4120.6 (2)C34—P1—C28—C2958.8 (3)
C7—Fe1—C5—C141.0 (4)C22—P1—C28—C2948.8 (3)
C3—Fe1—C5—C182.66 (17)Pd1—P1—C28—C29171.7 (2)
C8—Fe1—C5—C1167.9 (3)C33—C28—C29—C301.2 (5)
C2—Fe1—C5—C138.46 (16)P1—C28—C29—C30178.6 (3)
C4—Fe1—C5—C1120.6 (2)C28—C29—C30—C311.3 (5)
C6—Fe1—C5—C174.36 (19)C29—C30—C31—C320.1 (5)
C9—Fe1—C5—C1157.99 (17)C30—C31—C32—C331.5 (5)
C10—Fe1—C5—C1115.78 (17)C29—C28—C33—C320.2 (5)
C7—Fe1—C5—C1176.4 (4)P1—C28—C33—C32177.1 (3)
C3—Fe1—C5—C11159.9 (3)C31—C32—C33—C281.5 (5)
C8—Fe1—C5—C1174.7 (4)C28—P1—C34—C356.1 (3)
C2—Fe1—C5—C11155.9 (3)C22—P1—C34—C35110.8 (3)
C4—Fe1—C5—C11122.0 (3)Pd1—P1—C34—C35122.0 (2)
C6—Fe1—C5—C1143.0 (3)C28—P1—C34—C39175.4 (2)
C9—Fe1—C5—C1140.6 (3)C22—P1—C34—C3970.7 (3)
C10—Fe1—C5—C111.6 (3)Pd1—P1—C34—C3956.5 (3)
C1—Fe1—C5—C11117.4 (3)C39—C34—C35—C360.2 (5)
C3—Fe1—C6—C747.0 (4)P1—C34—C35—C36178.6 (3)
C8—Fe1—C6—C737.84 (19)C34—C35—C36—C370.4 (5)
C5—Fe1—C6—C7164.72 (18)C35—C36—C37—C380.9 (5)
C2—Fe1—C6—C781.3 (2)C36—C37—C38—C391.1 (5)
C4—Fe1—C6—C7161.9 (4)C37—C38—C39—C340.8 (5)
C9—Fe1—C6—C781.9 (2)C35—C34—C39—C380.4 (5)
C10—Fe1—C6—C7119.1 (3)P1—C34—C39—C38178.9 (3)
C1—Fe1—C6—C7123.48 (19)
 

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