Download citation
Download citation
link to html
In the title compound, [PdCl{Fe(C5H5)(C15H17NO)}(C18H15P)] or [FePd(C5H5)(C15H17NO)Cl(C18H15P)], the PdII atom is in a slightly distorted square-planar environment. The dihedral angle between the two cyclo­penta­dienyl rings of the ferrocenyl group is 6.4 (1)°.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805042844/ci6736sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805042844/ci6736Isup2.hkl
Contains datablock I

CCDC reference: 285950

Key indicators

  • Single-crystal X-ray study
  • T = 294 K
  • Mean [sigma](C-C) = 0.005 Å
  • R factor = 0.032
  • wR factor = 0.076
  • Data-to-parameter ratio = 17.1

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.66 Ratio PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Pd1 - Cl1 .. 6.12 su PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C37
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 3 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 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 0 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (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-{[N-(4-methoxybenzyl)methylamino]methyl}ferrocene-κ2N,C1) (triphenylphosphine-κP)palladium(II) top
Crystal data top
[FePd(C5H5)(C15H17NO)Cl(C18H15P)]F(000) = 1536
Mr = 752.36Dx = 1.495 Mg m3
Monoclinic, P21/cMelting point: 489 K
Hall symbol: -P 2ybcMo Kα radiation, λ = 0.71073 Å
a = 17.6945 (19) ÅCell parameters from 6333 reflections
b = 16.1753 (17) Åθ = 2.4–26.3°
c = 12.1585 (13) ŵ = 1.13 mm1
β = 106.128 (2)°T = 294 K
V = 3343.0 (6) Å3Prism, red
Z = 40.30 × 0.26 × 0.20 mm
Data collection top
Bruker APEX-II CCD area-detector
diffractometer
6828 independent reflections
Radiation source: fine-focus sealed tube5059 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.036
φ and ω scansθmax = 26.4°, θmin = 1.7°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 2220
Tmin = 0.670, Tmax = 0.798k = 920
18615 measured reflectionsl = 1415
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)] = 0.032Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.076H-atom parameters constrained
S = 1.02 w = 1/[σ2(Fo2) + (0.0342P)2 + 0.4688P]
where P = (Fo2 + 2Fc2)/3
6828 reflections(Δ/σ)max = 0.001
399 parametersΔρmax = 0.37 e Å3
12 restraintsΔρmin = 0.48 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
Pd10.299649 (12)0.487131 (13)0.769724 (17)0.03035 (7)
Fe10.16211 (3)0.62749 (3)0.85745 (3)0.03772 (11)
P10.21637 (4)0.39615 (4)0.66307 (6)0.03324 (17)
Cl10.40515 (4)0.39060 (5)0.83126 (7)0.0496 (2)
O10.45485 (16)0.65863 (16)0.3716 (2)0.0719 (7)
N10.37467 (13)0.58981 (14)0.85107 (18)0.0357 (5)
C10.1782 (3)0.5588 (3)1.0039 (3)0.0678 (11)
H10.20700.51021.02170.081*
C20.0970 (2)0.5647 (2)0.9449 (3)0.0659 (10)
H20.06330.52100.91590.079*
C30.0770 (2)0.6494 (2)0.9383 (3)0.0595 (10)
H30.02720.67120.90530.071*
C40.1448 (2)0.6950 (2)0.9900 (3)0.0608 (10)
H40.14810.75230.99620.073*
C50.2074 (2)0.6391 (3)1.0309 (3)0.0657 (11)
H50.25900.65301.06900.079*
C60.21614 (16)0.57374 (17)0.7409 (2)0.0326 (6)
C70.13347 (17)0.58201 (17)0.6943 (2)0.0372 (7)
H70.09850.53890.66720.045*
C80.11272 (18)0.66683 (18)0.6958 (2)0.0420 (7)
H80.06240.68870.66870.050*
C90.18243 (18)0.71212 (18)0.7458 (2)0.0419 (7)
H90.18610.76890.75780.050*
C100.24550 (17)0.65459 (17)0.7740 (2)0.0343 (6)
C110.33181 (17)0.66982 (18)0.8169 (3)0.0434 (7)
H11A0.34250.70670.88230.052*
H11B0.35030.69610.75750.052*
C120.38883 (19)0.5754 (2)0.9757 (2)0.0504 (8)
H12A0.41360.52260.99560.076*
H12B0.33960.57610.99440.076*
H12C0.42240.61801.01760.076*
C130.45327 (16)0.5931 (2)0.8282 (2)0.0427 (7)
H13A0.48000.54100.85160.051*
H13B0.48430.63620.87540.051*
C140.45067 (16)0.60926 (18)0.7047 (2)0.0364 (7)
C150.48402 (18)0.68061 (19)0.6746 (3)0.0462 (8)
H150.50630.71940.73070.055*
C160.48462 (19)0.6947 (2)0.5640 (3)0.0515 (8)
H160.50730.74280.54570.062*
C170.45219 (18)0.6385 (2)0.4800 (3)0.0479 (8)
C180.41941 (18)0.5658 (2)0.5071 (3)0.0509 (8)
H180.39710.52740.45050.061*
C190.42058 (18)0.5516 (2)0.6202 (3)0.0471 (8)
H190.40070.50210.63940.056*
C200.4176 (3)0.6050 (3)0.2806 (3)0.0854 (13)
H20A0.43710.54980.29840.128*
H20B0.42870.62310.21150.128*
H20C0.36180.60570.27020.128*
C210.13348 (17)0.37401 (16)0.7198 (3)0.0397 (7)
C220.05598 (19)0.3664 (2)0.6541 (3)0.0606 (10)
H220.04320.37090.57480.073*
C230.0028 (2)0.3518 (2)0.7086 (5)0.0812 (13)
H230.05480.34690.66510.097*
C240.0153 (3)0.3447 (2)0.8244 (5)0.0858 (15)
H240.02450.33530.85920.103*
C250.0904 (3)0.3511 (2)0.8889 (4)0.0761 (13)
H250.10220.34550.96800.091*
C260.1503 (2)0.36605 (19)0.8379 (3)0.0527 (9)
H260.20200.37080.88320.063*
C270.17878 (17)0.42813 (19)0.5141 (3)0.0410 (7)
C280.2022 (2)0.50246 (19)0.4779 (3)0.0503 (8)
H280.23400.53830.53070.060*
C290.1783 (3)0.5235 (3)0.3626 (3)0.0742 (12)
H290.19480.57320.33850.089*
C300.1306 (3)0.4718 (3)0.2843 (3)0.0859 (14)
H300.11380.48680.20750.103*
C310.1077 (3)0.3978 (3)0.3196 (4)0.0839 (13)
H310.07540.36260.26640.101*
C320.1320 (2)0.3754 (2)0.4323 (3)0.0602 (9)
H320.11720.32440.45470.072*
C330.25737 (16)0.29417 (18)0.6471 (3)0.0403 (7)
C340.30239 (19)0.2848 (2)0.5717 (3)0.0561 (9)
H340.31090.33000.52930.067*
C350.3347 (2)0.2097 (3)0.5584 (4)0.0700 (11)
H350.36340.20380.50530.084*
C360.3248 (2)0.1442 (3)0.6222 (4)0.0771 (13)
H360.34750.09350.61380.093*
C370.2824 (3)0.1523 (2)0.6978 (4)0.0873 (14)
H370.27600.10700.74150.105*
C380.2480 (2)0.2275 (2)0.7113 (3)0.0641 (10)
H380.21870.23250.76370.077*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Pd10.02961 (12)0.03259 (13)0.02879 (12)0.00091 (9)0.00798 (9)0.00141 (9)
Fe10.0464 (3)0.0391 (3)0.0300 (2)0.00547 (19)0.0146 (2)0.00099 (18)
P10.0324 (4)0.0319 (4)0.0369 (4)0.0013 (3)0.0121 (3)0.0028 (3)
Cl10.0381 (4)0.0465 (5)0.0611 (5)0.0056 (3)0.0086 (4)0.0135 (4)
O10.094 (2)0.0875 (19)0.0419 (15)0.0050 (15)0.0315 (14)0.0139 (13)
N10.0355 (13)0.0456 (15)0.0252 (13)0.0081 (11)0.0070 (10)0.0027 (10)
C10.091 (3)0.077 (3)0.048 (2)0.028 (2)0.039 (2)0.022 (2)
C20.081 (3)0.071 (3)0.061 (2)0.002 (2)0.045 (2)0.0071 (19)
C30.059 (2)0.083 (3)0.044 (2)0.015 (2)0.0263 (18)0.0021 (18)
C40.080 (3)0.069 (3)0.038 (2)0.013 (2)0.0246 (19)0.0143 (17)
C50.067 (3)0.103 (3)0.0265 (18)0.017 (2)0.0131 (17)0.0042 (19)
C60.0367 (17)0.0351 (16)0.0267 (15)0.0024 (12)0.0097 (13)0.0029 (11)
C70.0389 (17)0.0375 (17)0.0353 (17)0.0019 (13)0.0103 (13)0.0063 (12)
C80.0473 (19)0.0465 (19)0.0309 (16)0.0136 (15)0.0085 (14)0.0043 (13)
C90.062 (2)0.0313 (17)0.0351 (17)0.0044 (14)0.0187 (16)0.0005 (12)
C100.0433 (17)0.0378 (17)0.0233 (14)0.0030 (13)0.0117 (13)0.0027 (12)
C110.0488 (19)0.0383 (18)0.0435 (19)0.0091 (14)0.0134 (15)0.0052 (13)
C120.0483 (19)0.072 (2)0.0289 (17)0.0112 (17)0.0070 (15)0.0013 (15)
C130.0342 (17)0.056 (2)0.0366 (17)0.0117 (14)0.0079 (14)0.0031 (14)
C140.0325 (16)0.0436 (18)0.0338 (16)0.0044 (13)0.0102 (13)0.0024 (13)
C150.0468 (19)0.0448 (19)0.048 (2)0.0081 (15)0.0153 (15)0.0025 (15)
C160.060 (2)0.048 (2)0.049 (2)0.0046 (16)0.0204 (18)0.0121 (16)
C170.046 (2)0.062 (2)0.0411 (19)0.0131 (16)0.0206 (16)0.0130 (16)
C180.049 (2)0.065 (2)0.0385 (19)0.0086 (17)0.0137 (16)0.0110 (16)
C190.052 (2)0.050 (2)0.0422 (19)0.0139 (16)0.0174 (16)0.0011 (15)
C200.091 (3)0.127 (4)0.042 (2)0.006 (3)0.025 (2)0.004 (2)
C210.0382 (17)0.0265 (16)0.060 (2)0.0006 (12)0.0229 (15)0.0051 (13)
C220.045 (2)0.056 (2)0.085 (3)0.0081 (17)0.025 (2)0.0163 (19)
C230.050 (2)0.070 (3)0.134 (4)0.0153 (19)0.042 (3)0.034 (3)
C240.090 (3)0.053 (2)0.145 (4)0.025 (2)0.083 (3)0.027 (3)
C250.110 (4)0.051 (2)0.090 (3)0.003 (2)0.067 (3)0.000 (2)
C260.059 (2)0.051 (2)0.059 (2)0.0004 (16)0.0349 (19)0.0052 (16)
C270.0364 (17)0.0457 (19)0.0409 (18)0.0036 (14)0.0106 (14)0.0061 (14)
C280.060 (2)0.051 (2)0.0424 (19)0.0110 (16)0.0182 (16)0.0031 (15)
C290.090 (3)0.079 (3)0.058 (3)0.026 (2)0.027 (2)0.022 (2)
C300.090 (3)0.126 (4)0.036 (2)0.033 (3)0.009 (2)0.006 (3)
C310.075 (3)0.114 (4)0.049 (3)0.010 (3)0.005 (2)0.027 (2)
C320.059 (2)0.065 (2)0.050 (2)0.0017 (18)0.0043 (18)0.0134 (17)
C330.0340 (16)0.0376 (18)0.0489 (19)0.0003 (13)0.0109 (14)0.0111 (14)
C340.050 (2)0.060 (2)0.064 (2)0.0068 (17)0.0253 (18)0.0066 (18)
C350.049 (2)0.085 (3)0.082 (3)0.009 (2)0.028 (2)0.030 (2)
C360.054 (2)0.052 (3)0.125 (4)0.0080 (19)0.025 (3)0.033 (2)
C370.091 (3)0.038 (2)0.146 (4)0.013 (2)0.056 (3)0.011 (2)
C380.069 (3)0.042 (2)0.094 (3)0.0090 (18)0.043 (2)0.0065 (19)
Geometric parameters (Å, º) top
Pd1—C61.995 (3)C13—H13B0.97
Pd1—N12.184 (2)C14—C191.380 (4)
Pd1—P12.2264 (8)C14—C151.390 (4)
Pd1—Cl12.3889 (8)C15—C161.368 (4)
Fe1—C82.020 (3)C15—H150.93
Fe1—C92.029 (3)C16—C171.368 (4)
Fe1—C42.039 (3)C16—H160.93
Fe1—C22.042 (3)C17—C181.391 (4)
Fe1—C72.043 (3)C18—C191.389 (4)
Fe1—C52.045 (3)C18—H180.93
Fe1—C32.045 (3)C19—H190.93
Fe1—C12.051 (3)C20—H20A0.96
Fe1—C102.057 (3)C20—H20B0.96
Fe1—C62.105 (3)C20—H20C0.96
P1—C211.821 (3)C21—C221.388 (4)
P1—C271.822 (3)C21—C261.390 (4)
P1—C331.834 (3)C22—C231.400 (5)
O1—C171.370 (3)C22—H220.93
O1—C201.416 (4)C23—C241.359 (6)
N1—C121.484 (3)C23—H230.93
N1—C131.493 (3)C24—C251.347 (6)
N1—C111.499 (4)C24—H240.93
C1—C51.402 (5)C25—C261.390 (5)
C1—C21.419 (5)C25—H250.93
C1—H10.93C26—H260.93
C2—C31.411 (5)C27—C281.383 (4)
C2—H20.93C27—C321.395 (4)
C3—C41.400 (5)C28—C291.389 (5)
C3—H30.93C28—H280.93
C4—C51.408 (5)C29—C301.368 (6)
C4—H40.93C29—H290.93
C5—H50.93C30—C311.370 (6)
C6—C71.421 (4)C30—H300.93
C6—C101.423 (4)C31—C321.366 (5)
C7—C81.422 (4)C31—H310.93
C7—H70.93C32—H320.93
C8—C91.418 (4)C33—C381.368 (4)
C8—H80.93C33—C341.380 (4)
C9—C101.420 (4)C34—C351.371 (5)
C9—H90.93C34—H340.93
C10—C111.491 (4)C35—C361.353 (5)
C11—H11A0.97C35—H350.93
C11—H11B0.97C36—C371.345 (5)
C12—H12A0.96C36—H360.93
C12—H12B0.96C37—C381.391 (5)
C12—H12C0.96C37—H370.93
C13—C141.513 (4)C38—H380.93
C13—H13A0.97
C6—Pd1—N182.70 (10)C7—C8—H8126.1
C6—Pd1—P191.36 (8)Fe1—C8—H8125.3
N1—Pd1—P1170.80 (6)C8—C9—C10107.3 (3)
C6—Pd1—Cl1171.93 (8)C8—C9—Fe169.13 (16)
N1—Pd1—Cl191.80 (7)C10—C9—Fe170.70 (16)
P1—Pd1—Cl194.79 (3)C8—C9—H9126.4
C8—Fe1—C941.01 (12)C10—C9—H9126.4
C8—Fe1—C4118.77 (13)Fe1—C9—H9125.4
C9—Fe1—C4105.12 (14)C9—C10—C6109.5 (3)
C8—Fe1—C2120.62 (15)C9—C10—C11129.5 (3)
C9—Fe1—C2156.10 (15)C6—C10—C11120.6 (2)
C4—Fe1—C267.94 (16)C9—C10—Fe168.63 (16)
C8—Fe1—C740.96 (11)C6—C10—Fe171.83 (15)
C9—Fe1—C768.63 (12)C11—C10—Fe1131.9 (2)
C4—Fe1—C7155.38 (13)C10—C11—N1110.2 (2)
C2—Fe1—C7107.64 (14)C10—C11—H11A109.6
C8—Fe1—C5156.07 (15)N1—C11—H11A109.6
C9—Fe1—C5122.44 (16)C10—C11—H11B109.6
C4—Fe1—C540.34 (14)N1—C11—H11B109.6
C2—Fe1—C567.96 (17)H11A—C11—H11B108.1
C7—Fe1—C5162.61 (14)N1—C12—H12A109.5
C8—Fe1—C3103.66 (13)N1—C12—H12B109.5
C9—Fe1—C3119.73 (14)H12A—C12—H12B109.5
C4—Fe1—C340.10 (14)N1—C12—H12C109.5
C2—Fe1—C340.39 (14)H12A—C12—H12C109.5
C7—Fe1—C3120.80 (13)H12B—C12—H12C109.5
C5—Fe1—C367.55 (15)N1—C13—C14114.7 (2)
C8—Fe1—C1159.10 (17)N1—C13—H13A108.6
C9—Fe1—C1159.87 (16)C14—C13—H13A108.6
C4—Fe1—C167.58 (15)N1—C13—H13B108.6
C2—Fe1—C140.59 (15)C14—C13—H13B108.6
C7—Fe1—C1125.84 (15)H13A—C13—H13B107.6
C5—Fe1—C140.03 (15)C19—C14—C15118.0 (3)
C3—Fe1—C167.61 (15)C19—C14—C13121.4 (3)
C8—Fe1—C1068.19 (12)C15—C14—C13120.4 (3)
C9—Fe1—C1040.67 (11)C16—C15—C14121.1 (3)
C4—Fe1—C10124.15 (14)C16—C15—H15119.5
C2—Fe1—C10161.58 (14)C14—C15—H15119.5
C7—Fe1—C1067.44 (11)C15—C16—C17120.5 (3)
C5—Fe1—C10111.09 (14)C15—C16—H16119.7
C3—Fe1—C10157.70 (14)C17—C16—H16119.7
C1—Fe1—C10126.76 (14)C16—C17—O1116.1 (3)
C8—Fe1—C668.25 (11)C16—C17—C18120.0 (3)
C9—Fe1—C668.30 (11)O1—C17—C18123.8 (3)
C4—Fe1—C6161.67 (14)C19—C18—C17118.9 (3)
C2—Fe1—C6124.95 (14)C19—C18—H18120.6
C7—Fe1—C640.02 (10)C17—C18—H18120.6
C5—Fe1—C6127.66 (13)C14—C19—C18121.4 (3)
C3—Fe1—C6158.13 (14)C14—C19—H19119.3
C1—Fe1—C6112.45 (13)C18—C19—H19119.3
C10—Fe1—C639.98 (10)O1—C20—H20A109.5
C21—P1—C27108.79 (14)O1—C20—H20B109.5
C21—P1—C33104.30 (13)H20A—C20—H20B109.5
C27—P1—C33101.30 (14)O1—C20—H20C109.5
C21—P1—Pd1112.45 (10)H20A—C20—H20C109.5
C27—P1—Pd1113.02 (10)H20B—C20—H20C109.5
C33—P1—Pd1116.04 (10)C22—C21—C26118.7 (3)
C17—O1—C20118.2 (3)C22—C21—P1124.8 (3)
C12—N1—C13107.1 (2)C26—C21—P1116.5 (2)
C12—N1—C11110.3 (2)C21—C22—C23119.2 (4)
C13—N1—C11110.1 (2)C21—C22—H22120.4
C12—N1—Pd1104.57 (17)C23—C22—H22120.4
C13—N1—Pd1115.03 (17)C24—C23—C22120.9 (4)
C11—N1—Pd1109.51 (16)C24—C23—H23119.6
C5—C1—C2108.1 (4)C22—C23—H23119.6
C5—C1—Fe169.8 (2)C25—C24—C23120.5 (4)
C2—C1—Fe169.4 (2)C25—C24—H24119.8
C5—C1—H1125.9C23—C24—H24119.8
C2—C1—H1125.9C24—C25—C26120.3 (4)
Fe1—C1—H1126.5C24—C25—H25119.8
C3—C2—C1107.3 (4)C26—C25—H25119.8
C3—C2—Fe169.95 (19)C25—C26—C21120.4 (4)
C1—C2—Fe170.1 (2)C25—C26—H26119.8
C3—C2—H2126.4C21—C26—H26119.8
C1—C2—H2126.4C28—C27—C32118.4 (3)
Fe1—C2—H2125.2C28—C27—P1120.3 (2)
C4—C3—C2108.4 (3)C32—C27—P1121.1 (3)
C4—C3—Fe169.69 (18)C27—C28—C29120.0 (3)
C2—C3—Fe169.66 (18)C27—C28—H28120.0
C4—C3—H3125.8C29—C28—H28120.0
C2—C3—H3125.8C30—C29—C28120.6 (4)
Fe1—C3—H3126.4C30—C29—H29119.7
C3—C4—C5108.1 (4)C28—C29—H29119.7
C3—C4—Fe170.21 (19)C29—C30—C31119.7 (4)
C5—C4—Fe170.09 (18)C29—C30—H30120.2
C3—C4—H4125.9C31—C30—H30120.2
C5—C4—H4125.9C32—C31—C30120.5 (4)
Fe1—C4—H4125.4C32—C31—H31119.8
C1—C5—C4108.1 (4)C30—C31—H31119.8
C1—C5—Fe170.2 (2)C31—C32—C27120.8 (4)
C4—C5—Fe169.57 (19)C31—C32—H32119.6
C1—C5—H5126.0C27—C32—H32119.6
C4—C5—H5126.0C38—C33—C34118.5 (3)
Fe1—C5—H5125.8C38—C33—P1122.3 (2)
C7—C6—C10106.3 (2)C34—C33—P1119.2 (2)
C7—C6—Pd1140.0 (2)C35—C34—C33120.8 (3)
C10—C6—Pd1113.6 (2)C35—C34—H34119.6
C7—C6—Fe167.66 (15)C33—C34—H34119.6
C10—C6—Fe168.19 (15)C36—C35—C34120.2 (4)
Pd1—C6—Fe1128.64 (13)C36—C35—H35119.9
C6—C7—C8109.1 (3)C34—C35—H35119.9
C6—C7—Fe172.32 (16)C37—C36—C35120.1 (4)
C8—C7—Fe168.63 (16)C37—C36—H36120.0
C6—C7—H7125.5C35—C36—H36120.0
C8—C7—H7125.5C36—C37—C38120.8 (4)
Fe1—C7—H7125.2C36—C37—H37119.6
C9—C8—C7107.9 (3)C38—C37—H37119.6
C9—C8—Fe169.86 (16)C33—C38—C37119.7 (3)
C7—C8—Fe170.41 (16)C33—C38—H38120.1
C9—C8—H8126.1C37—C38—H38120.1
C6—Pd1—P1—C2161.60 (13)C10—Fe1—C7—C637.30 (16)
Cl1—Pd1—P1—C21113.18 (11)C9—Fe1—C7—C838.25 (17)
C6—Pd1—P1—C2762.06 (12)C4—Fe1—C7—C841.3 (4)
Cl1—Pd1—P1—C27123.17 (10)C2—Fe1—C7—C8116.7 (2)
C6—Pd1—P1—C33178.45 (13)C5—Fe1—C7—C8170.9 (5)
Cl1—Pd1—P1—C336.78 (12)C3—Fe1—C7—C874.5 (2)
C6—Pd1—N1—C12103.78 (19)C1—Fe1—C7—C8157.8 (2)
Cl1—Pd1—N1—C1270.29 (18)C10—Fe1—C7—C882.24 (19)
C6—Pd1—N1—C13139.1 (2)C6—Fe1—C7—C8119.5 (2)
Cl1—Pd1—N1—C1346.86 (18)C6—C7—C8—C91.2 (3)
C6—Pd1—N1—C1114.46 (17)Fe1—C7—C8—C960.09 (19)
Cl1—Pd1—N1—C11171.47 (16)C6—C7—C8—Fe161.29 (19)
C8—Fe1—C1—C5150.0 (3)C4—Fe1—C8—C979.8 (2)
C9—Fe1—C1—C534.5 (5)C2—Fe1—C8—C9159.79 (19)
C4—Fe1—C1—C537.7 (2)C7—Fe1—C8—C9118.5 (2)
C2—Fe1—C1—C5119.5 (3)C5—Fe1—C8—C954.8 (4)
C7—Fe1—C1—C5166.0 (2)C3—Fe1—C8—C9119.88 (19)
C3—Fe1—C1—C581.3 (2)C1—Fe1—C8—C9177.7 (3)
C10—Fe1—C1—C579.0 (3)C10—Fe1—C8—C938.28 (16)
C6—Fe1—C1—C5122.4 (2)C6—Fe1—C8—C981.49 (17)
C8—Fe1—C1—C230.5 (5)C9—Fe1—C8—C7118.5 (2)
C9—Fe1—C1—C2154.0 (3)C4—Fe1—C8—C7161.72 (19)
C4—Fe1—C1—C281.8 (2)C2—Fe1—C8—C781.7 (2)
C7—Fe1—C1—C274.4 (3)C5—Fe1—C8—C7173.3 (3)
C5—Fe1—C1—C2119.5 (3)C3—Fe1—C8—C7121.59 (19)
C3—Fe1—C1—C238.3 (2)C1—Fe1—C8—C759.1 (4)
C10—Fe1—C1—C2161.5 (2)C10—Fe1—C8—C780.24 (18)
C6—Fe1—C1—C2118.1 (2)C6—Fe1—C8—C737.04 (16)
C5—C1—C2—C31.1 (4)C7—C8—C9—C100.3 (3)
Fe1—C1—C2—C360.4 (2)Fe1—C8—C9—C1060.73 (19)
C5—C1—C2—Fe159.2 (2)C7—C8—C9—Fe160.43 (19)
C8—Fe1—C2—C374.2 (3)C4—Fe1—C9—C8116.68 (19)
C9—Fe1—C2—C340.2 (5)C2—Fe1—C9—C847.2 (4)
C4—Fe1—C2—C337.1 (2)C7—Fe1—C9—C838.21 (16)
C7—Fe1—C2—C3117.1 (2)C5—Fe1—C9—C8156.88 (18)
C5—Fe1—C2—C380.8 (2)C3—Fe1—C9—C876.0 (2)
C1—Fe1—C2—C3117.9 (3)C1—Fe1—C9—C8177.6 (4)
C10—Fe1—C2—C3171.5 (4)C10—Fe1—C9—C8118.0 (2)
C6—Fe1—C2—C3157.8 (2)C6—Fe1—C9—C881.38 (17)
C8—Fe1—C2—C1167.9 (2)C8—Fe1—C9—C10118.0 (2)
C9—Fe1—C2—C1158.1 (3)C4—Fe1—C9—C10125.29 (18)
C4—Fe1—C2—C180.8 (2)C2—Fe1—C9—C10165.2 (3)
C7—Fe1—C2—C1125.0 (2)C7—Fe1—C9—C1079.82 (17)
C5—Fe1—C2—C137.1 (2)C5—Fe1—C9—C1085.1 (2)
C3—Fe1—C2—C1117.9 (3)C3—Fe1—C9—C10165.99 (18)
C10—Fe1—C2—C153.6 (5)C1—Fe1—C9—C1059.6 (4)
C6—Fe1—C2—C184.3 (3)C6—Fe1—C9—C1036.65 (16)
C1—C2—C3—C41.3 (4)C8—C9—C10—C60.7 (3)
Fe1—C2—C3—C459.1 (2)Fe1—C9—C10—C660.44 (19)
C1—C2—C3—Fe160.4 (2)C8—C9—C10—C11172.9 (3)
C8—Fe1—C3—C4118.7 (2)Fe1—C9—C10—C11127.4 (3)
C9—Fe1—C3—C477.8 (2)C8—C9—C10—Fe159.73 (19)
C2—Fe1—C3—C4119.7 (3)C7—C6—C10—C91.4 (3)
C7—Fe1—C3—C4159.3 (2)Pd1—C6—C10—C9177.52 (18)
C5—Fe1—C3—C437.8 (2)Fe1—C6—C10—C958.49 (19)
C1—Fe1—C3—C481.3 (2)C7—C6—C10—C11174.4 (2)
C10—Fe1—C3—C453.2 (4)Pd1—C6—C10—C114.5 (3)
C6—Fe1—C3—C4176.0 (3)Fe1—C6—C10—C11128.5 (3)
C8—Fe1—C3—C2121.6 (2)C7—C6—C10—Fe157.06 (18)
C9—Fe1—C3—C2162.5 (2)Pd1—C6—C10—Fe1123.99 (15)
C4—Fe1—C3—C2119.7 (3)C8—Fe1—C10—C938.59 (17)
C7—Fe1—C3—C281.0 (3)C4—Fe1—C10—C972.2 (2)
C5—Fe1—C3—C281.9 (3)C2—Fe1—C10—C9160.9 (4)
C1—Fe1—C3—C238.4 (2)C7—Fe1—C10—C982.99 (18)
C10—Fe1—C3—C2173.0 (3)C5—Fe1—C10—C9115.7 (2)
C6—Fe1—C3—C256.3 (4)C3—Fe1—C10—C933.6 (4)
C2—C3—C4—C51.0 (4)C1—Fe1—C10—C9158.3 (2)
Fe1—C3—C4—C560.1 (2)C6—Fe1—C10—C9120.3 (2)
C2—C3—C4—Fe159.1 (2)C8—Fe1—C10—C681.73 (17)
C8—Fe1—C4—C376.5 (3)C9—Fe1—C10—C6120.3 (2)
C9—Fe1—C4—C3118.5 (2)C4—Fe1—C10—C6167.48 (18)
C2—Fe1—C4—C337.4 (2)C2—Fe1—C10—C640.6 (5)
C7—Fe1—C4—C346.9 (4)C7—Fe1—C10—C637.33 (16)
C5—Fe1—C4—C3118.8 (3)C5—Fe1—C10—C6124.00 (19)
C1—Fe1—C4—C381.4 (2)C3—Fe1—C10—C6154.0 (3)
C10—Fe1—C4—C3158.5 (2)C1—Fe1—C10—C681.4 (2)
C6—Fe1—C4—C3175.3 (3)C8—Fe1—C10—C11163.1 (3)
C8—Fe1—C4—C5164.7 (2)C9—Fe1—C10—C11124.5 (3)
C9—Fe1—C4—C5122.7 (2)C4—Fe1—C10—C1152.3 (3)
C2—Fe1—C4—C581.5 (3)C2—Fe1—C10—C1174.5 (5)
C7—Fe1—C4—C5165.8 (3)C7—Fe1—C10—C11152.5 (3)
C3—Fe1—C4—C5118.8 (3)C5—Fe1—C10—C118.9 (3)
C1—Fe1—C4—C537.5 (2)C3—Fe1—C10—C1190.9 (4)
C10—Fe1—C4—C582.7 (3)C1—Fe1—C10—C1133.7 (3)
C6—Fe1—C4—C556.4 (5)C6—Fe1—C10—C11115.1 (3)
C2—C1—C5—C40.5 (4)C9—C10—C11—N1171.7 (3)
Fe1—C1—C5—C459.5 (2)C6—C10—C11—N116.9 (3)
C2—C1—C5—Fe159.0 (2)Fe1—C10—C11—N175.6 (3)
C3—C4—C5—C10.3 (4)C12—N1—C11—C1095.1 (3)
Fe1—C4—C5—C159.9 (2)C13—N1—C11—C10147.0 (2)
C3—C4—C5—Fe160.2 (2)Pd1—N1—C11—C1019.5 (3)
C8—Fe1—C5—C1153.9 (3)C12—N1—C13—C14178.8 (3)
C9—Fe1—C5—C1166.7 (2)C11—N1—C13—C1458.8 (3)
C4—Fe1—C5—C1119.1 (3)Pd1—N1—C13—C1465.5 (3)
C2—Fe1—C5—C137.6 (2)N1—C13—C14—C1968.0 (4)
C7—Fe1—C5—C140.9 (6)N1—C13—C14—C15116.7 (3)
C3—Fe1—C5—C181.4 (2)C19—C14—C15—C162.2 (5)
C10—Fe1—C5—C1122.6 (2)C13—C14—C15—C16177.6 (3)
C6—Fe1—C5—C180.3 (3)C14—C15—C16—C170.0 (5)
C8—Fe1—C5—C434.8 (5)C15—C16—C17—O1179.2 (3)
C9—Fe1—C5—C474.3 (3)C15—C16—C17—C181.0 (5)
C2—Fe1—C5—C481.4 (2)C20—O1—C17—C16176.1 (3)
C7—Fe1—C5—C4159.9 (4)C20—O1—C17—C184.2 (5)
C3—Fe1—C5—C437.6 (2)C16—C17—C18—C190.2 (5)
C1—Fe1—C5—C4119.1 (3)O1—C17—C18—C19179.5 (3)
C10—Fe1—C5—C4118.4 (2)C15—C14—C19—C183.5 (5)
C6—Fe1—C5—C4160.7 (2)C13—C14—C19—C18178.9 (3)
N1—Pd1—C6—C7175.8 (3)C17—C18—C19—C142.6 (5)
P1—Pd1—C6—C711.2 (3)C27—P1—C21—C2212.1 (3)
N1—Pd1—C6—C105.75 (19)C33—P1—C21—C2295.4 (3)
P1—Pd1—C6—C10167.20 (18)Pd1—P1—C21—C22138.1 (2)
N1—Pd1—C6—Fe174.50 (17)C27—P1—C21—C26166.6 (2)
P1—Pd1—C6—Fe1112.55 (16)C33—P1—C21—C2685.9 (2)
C8—Fe1—C6—C737.88 (17)Pd1—P1—C21—C2640.6 (2)
C9—Fe1—C6—C782.18 (18)C26—C21—C22—C230.6 (5)
C4—Fe1—C6—C7154.2 (4)P1—C21—C22—C23178.0 (3)
C2—Fe1—C6—C775.1 (2)C21—C22—C23—C240.3 (5)
C5—Fe1—C6—C7162.8 (2)C22—C23—C24—C250.4 (6)
C3—Fe1—C6—C734.0 (4)C23—C24—C25—C260.8 (6)
C1—Fe1—C6—C7119.5 (2)C24—C25—C26—C210.4 (5)
C10—Fe1—C6—C7119.4 (2)C22—C21—C26—C250.3 (5)
C8—Fe1—C6—C1081.56 (18)P1—C21—C26—C25178.5 (3)
C9—Fe1—C6—C1037.26 (16)C21—P1—C27—C28125.4 (2)
C4—Fe1—C6—C1034.8 (5)C33—P1—C27—C28125.1 (2)
C2—Fe1—C6—C10165.5 (2)Pd1—P1—C27—C280.3 (3)
C7—Fe1—C6—C10119.4 (2)C21—P1—C27—C3260.7 (3)
C5—Fe1—C6—C1077.7 (2)C33—P1—C27—C3248.8 (3)
C3—Fe1—C6—C10153.4 (3)Pd1—P1—C27—C32173.7 (2)
C1—Fe1—C6—C10121.0 (2)C32—C27—C28—C290.9 (5)
C8—Fe1—C6—Pd1175.0 (2)P1—C27—C28—C29175.0 (3)
C9—Fe1—C6—Pd1140.7 (2)C27—C28—C29—C300.9 (6)
C4—Fe1—C6—Pd168.7 (5)C28—C29—C30—C311.4 (6)
C2—Fe1—C6—Pd162.0 (2)C29—C30—C31—C320.1 (7)
C7—Fe1—C6—Pd1137.1 (3)C30—C31—C32—C271.7 (6)
C5—Fe1—C6—Pd125.8 (3)C28—C27—C32—C312.2 (5)
C3—Fe1—C6—Pd1103.1 (4)P1—C27—C32—C31176.2 (3)
C1—Fe1—C6—Pd117.5 (2)C21—P1—C33—C3825.2 (3)
C10—Fe1—C6—Pd1103.5 (2)C27—P1—C33—C38138.1 (3)
C10—C6—C7—C81.6 (3)Pd1—P1—C33—C3899.1 (3)
Pd1—C6—C7—C8176.9 (2)C21—P1—C33—C34157.9 (3)
Fe1—C6—C7—C859.01 (19)C27—P1—C33—C3444.9 (3)
C10—C6—C7—Fe157.39 (18)Pd1—P1—C33—C3477.8 (3)
Pd1—C6—C7—Fe1124.1 (3)C38—C33—C34—C352.3 (5)
C8—Fe1—C7—C6119.5 (2)P1—C33—C34—C35179.3 (3)
C9—Fe1—C7—C681.29 (18)C33—C34—C35—C362.2 (6)
C4—Fe1—C7—C6160.8 (3)C34—C35—C36—C371.0 (6)
C2—Fe1—C7—C6123.78 (19)C35—C36—C37—C380.1 (7)
C5—Fe1—C7—C651.4 (5)C34—C33—C38—C371.2 (5)
C3—Fe1—C7—C6165.97 (18)P1—C33—C38—C37178.1 (3)
C1—Fe1—C7—C682.7 (2)C36—C37—C38—C330.0 (7)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C13—H13A···Cl10.972.753.387 (3)124
 

Follow Acta Cryst. E
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds