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The title compound, [PdCl2(C19H20N2)2]·CH2Cl2, contains a PdII atom in a square-planar geometry and is isolated as the trans isomer.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804010451/na6322sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804010451/na6322Isup2.hkl
Contains datablock I

CCDC reference: 242035

Key indicators

  • Single-crystal X-ray study
  • T = 220 K
  • R factor = 0.034
  • wR factor = 0.083
  • Data-to-parameter ratio = 17.3

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT141_ALERT_4_C su on a - Axis Small or Missing (x 100000) ..... 10 Ang. PLAT142_ALERT_4_C su on b - Axis Small or Missing (x 100000) ..... 10 Ang. PLAT143_ALERT_4_C su on c - Axis Small or Missing (x 100000) ..... 20 Ang. PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.95 Ratio PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... C217 PLAT244_ALERT_4_C Low Solvent U(eq) as Compared to Neighbors .... C3 PLAT752_ALERT_4_C Angle Calc 126.60, Rep 126.7(2) ...... Senseless su C25 -C24 -H24 1.555 1.555 1.555
Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 72.89 From the CIF: _reflns_number_total 7556 Count of symmetry unique reflns 4301 Completeness (_total/calc) 175.68% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 3255 Fraction of Friedel pairs measured 0.757 Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 7 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 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 6 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Bruker, 1999); cell refinement: SAINT (Bruker, 1999); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL96 (Sheldrick, 1996b); molecular graphics: SHELXTL (Bruker, 1997); software used to prepare material for publication: SHELXL96 (Sheldrick, 1996b).

(I) top
Crystal data top
[PdCl2(C19H20N2)2]·CH2Cl2F(000) = 1672.0
Mr = 814.97Dx = 1.405 Mg m3
Orthorhombic, P212121Cu Kα radiation, λ = 1.54178 Å
Hall symbol: P 2ac 2abCell parameters from 6850 reflections
a = 11.6567 (1) Åθ = 3.7–72.9°
b = 13.6627 (1) ŵ = 6.68 mm1
c = 24.1997 (2) ÅT = 220 K
V = 3854.09 (5) Å3Plate, colourless
Z = 40.41 × 0.30 × 0.05 mm
Data collection top
Bruker AXS SMART 2K/Platform
diffractometer
7556 independent reflections
Radiation source: normal-focus xray tube6917 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.055
Detector resolution: 5.5 pixels mm-1θmax = 72.9°, θmin = 3.7°
ω scansh = 1311
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996a)
k = 1616
Tmin = 0.135, Tmax = 0.715l = 2930
46333 measured reflections
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.034H-atom parameters constrained
wR(F2) = 0.083 w = 1/[σ2(Fo2) + (0.0517P)2]
where P = (Fo2 + 2Fc2)/3
S = 1.01(Δ/σ)max = 0.003
7556 reflectionsΔρmax = 0.71 e Å3
437 parametersΔρmin = 0.37 e Å3
0 restraintsAbsolute structure: Flack (1983), 3255 Friedel Pairs
Primary atom site location: structure-invariant direct methodsAbsolute structure parameter: 0.023 (7)
Special details top

Experimental. X-ray crystallographic data for I were collected from a single-crystal sample, which was mounted on a glass fiber. Data were collected using a Bruker Platform diffractometer, equipped with a Bruker SMART 2 K Charged-Coupled Device (CCD) Area Detector using the program SMART and normal focus sealed tube source graphite monochromated Cu—Kα radiation. The crystal-to-detector distance was 4.908 cm, and the data collection was carried out in 512 x 512 pixel mode, utilizing 4 x 4 pixel binning. The initial unit-cell parameters were determined by a least-squares fit of the angular setting of strong reflections, collected by a 9.0 degree scan in 30 frames over four different parts of the reciprocal space (120 frames total). One complete sphere of data was collected, to better than 0.8 Å resolution. Upon completion of the data collection, the first 101 frames were recollected in order to improve the decay correction analysis.

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. Weighted R-factors wR and all goodnesses of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The observed criterion of F2 > σ(F2) is used only for calculating R-factor_obs 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.

Data reduction processing was carried out by the use of the program SAINT (SAINT, 1999), which applied Lorentz and polarization corrections to three-dimensionally integrated diffraction spots. The program SADABS (Sheldrick, 1996 A) was utilized for the scaling of diffraction data, the application of a decay correction, and an empirical absorption correction based on redundant reflections. The space group was confirmed by XPREP routine in SHELXTL program (Sheldrick, 1997). The structure was solved by direct method using SHELXS97 (Sheldrick, 1997) and difmap synthesis using SHELXL96 (Sheldrick, 1996B). All non-hydrogen atoms anisotropic, hydrogen atoms isotropic.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Pd0.19627 (2)0.454290 (18)0.890623 (9)0.02722 (7)
Cl10.31940 (9)0.36987 (7)0.94793 (4)0.0475 (2)
Cl20.07669 (8)0.53321 (7)0.82879 (4)0.0433 (2)
N110.3609 (3)0.6161 (2)0.85314 (11)0.0328 (7)
C120.2988 (3)0.5749 (2)0.89434 (13)0.0298 (6)
N130.3156 (3)0.6340 (2)0.93800 (10)0.0339 (6)
C140.3853 (4)0.7120 (3)0.92442 (16)0.0463 (10)
H140.40800.76320.94790.056*
C150.4143 (4)0.7006 (3)0.87148 (16)0.0454 (10)
H150.46190.74210.85060.054*
C1110.3819 (3)0.5688 (3)0.79845 (14)0.0378 (9)
H1110.31820.52230.79190.045*
C1120.4909 (5)0.5097 (4)0.8013 (2)0.0658 (14)
H11A0.55560.55310.80710.099*
H11B0.50120.47410.76700.099*
H11C0.48600.46360.83180.099*
C1130.3764 (3)0.6457 (3)0.75310 (14)0.0343 (8)
C1140.4721 (4)0.6725 (3)0.72286 (16)0.0481 (10)
H1140.54390.64510.73150.058*
C1150.4632 (5)0.7394 (4)0.67985 (19)0.0605 (13)
H1150.52880.75780.65980.073*
C1160.3587 (5)0.7786 (3)0.66687 (16)0.0599 (14)
H1160.35240.82260.63720.072*
C1170.2622 (4)0.7541 (3)0.69687 (16)0.0498 (11)
H1170.19100.78250.68830.060*
C1180.2713 (4)0.6873 (3)0.73959 (16)0.0427 (10)
H1180.20540.66990.75980.051*
C1310.2635 (3)0.6198 (3)0.99349 (14)0.0369 (8)
H1310.24260.54980.99650.044*
C1320.1535 (4)0.6781 (4)0.9983 (2)0.0670 (15)
H13A0.17060.74730.99530.101*
H13B0.11780.66491.03370.101*
H13C0.10150.65920.96880.101*
C1330.3532 (3)0.6401 (3)1.03759 (14)0.0342 (8)
C1340.3577 (4)0.7270 (3)1.06673 (15)0.0440 (10)
H1340.30230.77561.06010.053*
C1350.4430 (4)0.7434 (3)1.10566 (17)0.0531 (11)
H1350.44610.80341.12470.064*
C1360.5222 (4)0.6725 (4)1.11631 (17)0.0589 (12)
H1360.57920.68361.14310.071*
C1370.5195 (4)0.5850 (4)1.08832 (19)0.0577 (12)
H1370.57470.53661.09560.069*
C1380.4340 (3)0.5686 (3)1.04899 (16)0.0441 (10)
H1380.43130.50851.03010.053*
N210.0842 (3)0.2584 (2)0.86001 (11)0.0314 (6)
C220.0879 (3)0.3372 (2)0.89231 (14)0.0285 (6)
N230.0046 (2)0.3235 (2)0.92985 (12)0.0310 (6)
C240.0511 (3)0.2358 (3)0.92120 (15)0.0344 (8)
H240.11170.21000.94230.041*
C250.0024 (3)0.1946 (3)0.87708 (15)0.0356 (8)
H250.02250.13460.86070.043*
C2110.1510 (3)0.2441 (3)0.80903 (15)0.0396 (9)
H2110.21810.28840.81070.048*
C2120.0764 (4)0.2769 (4)0.76019 (17)0.0579 (12)
H21A0.00540.23990.76010.087*
H21B0.11730.26550.72590.087*
H21C0.05930.34610.76370.087*
C2130.1959 (4)0.1407 (3)0.80621 (14)0.0402 (8)
C2140.2647 (4)0.1059 (3)0.84889 (18)0.0501 (11)
H2140.28380.14760.87840.060*
C2150.3050 (4)0.0122 (4)0.8485 (2)0.0636 (12)
H2150.35130.01030.87770.076*
C2160.2781 (4)0.0501 (4)0.8053 (2)0.0695 (14)
H2160.30620.11460.80500.083*
C2170.2102 (5)0.0172 (4)0.7631 (3)0.0837 (19)
H2170.19010.05920.73390.100*
C2180.1715 (4)0.0783 (4)0.7638 (2)0.0641 (15)
H2180.12690.10100.73420.077*
C2310.0262 (3)0.3943 (3)0.97402 (15)0.0352 (8)
H2310.02230.45290.96830.042*
C2320.0038 (4)0.3539 (3)1.03051 (15)0.0467 (10)
H23A0.01010.40351.05840.070*
H23B0.08400.33521.03120.070*
H23C0.04340.29701.03820.070*
C2330.1502 (3)0.4267 (2)0.96566 (15)0.0337 (8)
C2340.1725 (4)0.4991 (3)0.92659 (17)0.0447 (10)
H2340.11150.52810.90710.054*
C2350.2836 (4)0.5283 (3)0.91643 (19)0.0538 (11)
H2350.29770.57800.89040.065*
C2360.3739 (4)0.4860 (3)0.94370 (17)0.0477 (10)
H2360.44940.50680.93680.057*
C2370.3529 (4)0.4133 (3)0.98106 (18)0.0493 (11)
H2370.41460.38260.99910.059*
C2380.2416 (4)0.3842 (3)0.99267 (16)0.0425 (9)
H2380.22830.33531.01920.051*
C30.2469 (5)0.5564 (4)0.1705 (2)0.090 (2)
H3A0.31350.58820.15350.108*
H3B0.27450.51420.20040.108*
Cl30.1765 (2)0.48595 (16)0.12138 (7)0.1570 (11)
Cl40.15182 (16)0.64873 (18)0.19853 (9)0.1258 (7)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Pd0.02756 (12)0.02972 (11)0.02438 (10)0.00239 (10)0.00130 (9)0.00333 (10)
Cl10.0451 (6)0.0410 (5)0.0565 (6)0.0016 (4)0.0197 (4)0.0138 (4)
Cl20.0366 (5)0.0494 (6)0.0440 (5)0.0009 (4)0.0103 (4)0.0155 (4)
N110.0373 (17)0.0399 (17)0.0213 (14)0.0069 (13)0.0004 (12)0.0031 (12)
C120.0306 (17)0.0333 (16)0.0254 (15)0.0044 (14)0.0022 (15)0.0059 (13)
N130.0426 (19)0.0364 (16)0.0228 (13)0.0043 (14)0.0009 (12)0.0013 (11)
C140.065 (3)0.043 (2)0.031 (2)0.017 (2)0.0060 (18)0.0025 (17)
C150.056 (3)0.047 (2)0.0330 (19)0.022 (2)0.0015 (17)0.0055 (16)
C1110.044 (2)0.044 (2)0.0252 (17)0.0046 (16)0.0002 (14)0.0006 (15)
C1120.077 (4)0.075 (3)0.046 (3)0.028 (3)0.003 (2)0.005 (2)
C1130.042 (2)0.038 (2)0.0229 (16)0.0062 (16)0.0013 (14)0.0026 (15)
C1140.042 (3)0.063 (3)0.039 (2)0.007 (2)0.0077 (18)0.0008 (19)
C1150.074 (4)0.066 (3)0.042 (2)0.017 (3)0.018 (2)0.010 (2)
C1160.113 (4)0.041 (2)0.026 (2)0.017 (3)0.004 (2)0.0106 (17)
C1170.068 (3)0.043 (2)0.039 (2)0.002 (2)0.016 (2)0.0015 (18)
C1180.045 (3)0.048 (2)0.036 (2)0.0043 (17)0.0012 (16)0.0006 (17)
C1310.039 (2)0.046 (2)0.0258 (17)0.0025 (16)0.0033 (14)0.0045 (16)
C1320.053 (3)0.099 (4)0.049 (3)0.028 (3)0.006 (2)0.008 (3)
C1330.043 (2)0.038 (2)0.0219 (17)0.0029 (16)0.0047 (14)0.0005 (14)
C1340.063 (3)0.037 (2)0.0326 (19)0.0033 (18)0.0025 (18)0.0042 (16)
C1350.082 (3)0.047 (2)0.030 (2)0.015 (2)0.002 (2)0.0046 (19)
C1360.065 (3)0.081 (3)0.032 (2)0.017 (2)0.012 (2)0.001 (2)
C1370.058 (3)0.067 (3)0.048 (2)0.006 (2)0.011 (2)0.003 (2)
C1380.051 (3)0.046 (2)0.0349 (19)0.0040 (17)0.0005 (17)0.0064 (17)
N210.0300 (17)0.0361 (16)0.0283 (15)0.0041 (12)0.0030 (12)0.0001 (12)
C220.0276 (17)0.0331 (17)0.0249 (15)0.0030 (13)0.0035 (14)0.0029 (15)
N230.0279 (17)0.0352 (16)0.0300 (15)0.0010 (12)0.0021 (11)0.0035 (12)
C240.030 (2)0.037 (2)0.0363 (19)0.0037 (15)0.0043 (15)0.0001 (16)
C250.035 (2)0.035 (2)0.037 (2)0.0087 (15)0.0001 (15)0.0025 (15)
C2110.044 (2)0.043 (2)0.0322 (19)0.0086 (17)0.0081 (16)0.0046 (16)
C2120.074 (3)0.065 (3)0.035 (2)0.005 (3)0.004 (2)0.008 (2)
C2130.032 (2)0.053 (2)0.0355 (18)0.0088 (19)0.0082 (17)0.0116 (16)
C2140.053 (3)0.058 (3)0.039 (2)0.003 (2)0.0017 (18)0.006 (2)
C2150.057 (3)0.068 (3)0.067 (3)0.012 (3)0.003 (3)0.003 (2)
C2160.061 (3)0.055 (3)0.092 (4)0.008 (3)0.011 (3)0.015 (3)
C2170.079 (4)0.079 (4)0.093 (4)0.008 (3)0.008 (4)0.049 (3)
C2180.062 (4)0.076 (3)0.054 (3)0.009 (2)0.013 (2)0.028 (2)
C2310.038 (2)0.032 (2)0.0354 (19)0.0039 (15)0.0060 (15)0.0070 (15)
C2320.042 (2)0.064 (3)0.034 (2)0.001 (2)0.0040 (16)0.0046 (19)
C2330.033 (2)0.033 (2)0.0350 (18)0.0034 (14)0.0042 (14)0.0052 (14)
C2340.043 (3)0.040 (2)0.051 (2)0.0068 (17)0.0053 (18)0.0058 (18)
C2350.059 (3)0.045 (3)0.057 (2)0.000 (2)0.005 (2)0.005 (2)
C2360.043 (3)0.051 (3)0.050 (2)0.0091 (18)0.0017 (18)0.0084 (19)
C2370.038 (2)0.060 (3)0.050 (3)0.0021 (19)0.0161 (19)0.003 (2)
C2380.044 (2)0.046 (2)0.038 (2)0.0017 (17)0.0106 (17)0.0037 (17)
C30.120 (5)0.102 (5)0.047 (3)0.051 (4)0.015 (3)0.001 (3)
Cl30.230 (2)0.1677 (19)0.0730 (10)0.1436 (19)0.0261 (12)0.0245 (11)
Cl40.0788 (13)0.169 (2)0.1293 (17)0.0260 (13)0.0100 (11)0.0090 (16)
Geometric parameters (Å, º) top
Pd—C122.038 (3)N21—C221.331 (4)
Pd—C222.039 (3)N21—C251.396 (4)
Pd—Cl12.3050 (9)N21—C2111.472 (4)
Pd—Cl22.3119 (9)C22—N231.342 (4)
N11—C121.354 (4)N23—C241.379 (4)
N11—C151.385 (5)N23—C2311.486 (4)
N11—C1111.493 (4)C24—C251.333 (5)
C12—N131.344 (4)C24—H240.9400
N13—C141.380 (5)C25—H250.9400
N13—C1311.486 (4)C211—C2131.508 (5)
C14—C151.334 (6)C211—C2121.534 (5)
C14—H140.9400C211—H2110.9900
C15—H150.9400C212—H21A0.9700
C111—C1121.507 (6)C212—H21B0.9700
C111—C1131.520 (5)C212—H21C0.9700
C111—H1110.9900C213—C2181.363 (5)
C112—H11A0.9700C213—C2141.391 (6)
C112—H11B0.9700C214—C2151.365 (6)
C112—H11C0.9700C214—H2140.9400
C113—C1141.384 (5)C215—C2161.384 (7)
C113—C1181.390 (5)C215—H2150.9400
C114—C1151.389 (6)C216—C2171.368 (7)
C114—H1140.9400C216—H2160.9400
C115—C1161.367 (7)C217—C2181.381 (7)
C115—H1150.9400C217—H2170.9400
C116—C1171.379 (6)C218—H2180.9400
C116—H1160.9400C231—C2321.515 (5)
C117—C1181.382 (5)C231—C2331.525 (5)
C117—H1170.9400C231—H2310.9900
C118—H1180.9400C232—H23A0.9700
C131—C1321.514 (5)C232—H23B0.9700
C131—C1331.520 (5)C232—H23C0.9700
C131—H1310.9900C233—C2381.378 (5)
C132—H13A0.9700C233—C2341.393 (5)
C132—H13B0.9700C234—C2351.377 (6)
C132—H13C0.9700C234—H2340.9400
C133—C1341.381 (5)C235—C2361.370 (6)
C133—C1381.385 (5)C235—H2350.9400
C134—C1351.387 (6)C236—C2371.366 (6)
C134—H1340.9400C236—H2360.9400
C135—C1361.363 (6)C237—C2381.386 (6)
C135—H1350.9400C237—H2370.9400
C136—C1371.375 (6)C238—H2380.9400
C136—H1360.9400C3—Cl31.736 (5)
C137—C1381.396 (6)C3—Cl41.811 (6)
C137—H1370.9400C3—H3A0.9800
C138—H1380.9400C3—H3B0.9800
C12—Pd—C22175.64 (14)C22—N21—C25110.8 (3)
C12—Pd—Cl190.74 (9)C22—N21—C211125.7 (3)
C22—Pd—Cl188.91 (9)C25—N21—C211123.2 (3)
C12—Pd—Cl290.29 (9)N21—C22—N23105.1 (3)
C22—Pd—Cl290.32 (9)N21—C22—Pd130.0 (3)
Cl1—Pd—Cl2176.55 (4)N23—C22—Pd124.8 (2)
C12—N11—C15110.5 (3)C22—N23—C24111.0 (3)
C12—N11—C111124.1 (3)C22—N23—C231124.8 (3)
C15—N11—C111124.8 (3)C24—N23—C231124.1 (3)
N13—C12—N11104.6 (3)C25—C24—N23106.7 (3)
N13—C12—Pd127.3 (2)C25—C24—H24126.7 (2)
N11—C12—Pd128.1 (2)N23—C24—H24126.7
C12—N13—C14111.2 (3)C24—C25—N21106.4 (3)
C12—N13—C131124.9 (3)C24—C25—H25126.8
C14—N13—C131123.8 (3)N21—C25—H25126.8
C15—C14—N13106.7 (4)N21—C211—C213110.3 (3)
C15—C14—H14126.6N21—C211—C212107.8 (3)
N13—C14—H14126.6C213—C211—C212115.9 (3)
C14—C15—N11106.9 (4)N21—C211—H211107.5
C14—C15—H15126.5C213—C211—H211107.5
N11—C15—H15126.5C212—C211—H211107.5
N11—C111—C112109.2 (3)C211—C212—H21A109.5
N11—C111—C113109.5 (3)C211—C212—H21B109.5
C112—C111—C113116.1 (3)H21A—C212—H21B109.5
N11—C111—H111107.2C211—C212—H21C109.5
C112—C111—H111107.2H21A—C212—H21C109.5
C113—C111—H111107.2H21B—C212—H21C109.5
C111—C112—H11A109.5C218—C213—C214117.7 (4)
C111—C112—H11B109.5C218—C213—C211123.2 (4)
H11A—C112—H11B109.5C214—C213—C211119.1 (3)
C111—C112—H11C109.5C215—C214—C213120.9 (4)
H11A—C112—H11C109.5C215—C214—H214119.6
H11B—C112—H11C109.5C213—C214—H214119.6
C114—C113—C118118.5 (4)C214—C215—C216120.3 (5)
C114—C113—C111122.0 (4)C214—C215—H215119.8
C118—C113—C111119.4 (3)C216—C215—H215119.8
C113—C114—C115120.7 (4)C217—C216—C215119.5 (5)
C113—C114—H114119.7C217—C216—H216120.2
C115—C114—H114119.7C215—C216—H216120.2
C116—C115—C114119.7 (4)C216—C217—C218119.3 (5)
C116—C115—H115120.1C216—C217—H217120.3
C114—C115—H115120.1C218—C217—H217120.3
C115—C116—C117120.7 (4)C213—C218—C217122.2 (5)
C115—C116—H116119.6C213—C218—H218118.9
C117—C116—H116119.6C217—C218—H218118.9
C116—C117—C118119.5 (4)N23—C231—C232110.8 (3)
C116—C117—H117120.3N23—C231—C233108.8 (3)
C118—C117—H117120.3C232—C231—C233116.4 (3)
C117—C118—C113120.9 (4)N23—C231—H231106.8
C117—C118—H118119.6C232—C231—H231106.8
C113—C118—H118119.6C233—C231—H231106.8
N13—C131—C132110.3 (3)C231—C232—H23A109.5
N13—C131—C133109.2 (3)C231—C232—H23B109.5
C132—C131—C133115.7 (3)H23A—C232—H23B109.5
N13—C131—H131107.1C231—C232—H23C109.5
C132—C131—H131107.1H23A—C232—H23C109.5
C133—C131—H131107.1H23B—C232—H23C109.5
C131—C132—H13A109.5C238—C233—C234118.5 (4)
C131—C132—H13B109.5C238—C233—C231123.2 (3)
H13A—C132—H13B109.5C234—C233—C231118.2 (3)
C131—C132—H13C109.5C235—C234—C233120.1 (4)
H13A—C132—H13C109.5C235—C234—H234119.9
H13B—C132—H13C109.5C233—C234—H234119.9
C134—C133—C138118.6 (4)C236—C235—C234121.0 (4)
C134—C133—C131122.8 (4)C236—C235—H235119.5
C138—C133—C131118.6 (3)C234—C235—H235119.5
C133—C134—C135120.9 (4)C237—C236—C235119.2 (4)
C133—C134—H134119.6C237—C236—H236120.4
C135—C134—H134119.6C235—C236—H236120.4
C136—C135—C134119.9 (4)C236—C237—C238120.7 (4)
C136—C135—H135120.1C236—C237—H237119.7
C134—C135—H135120.1C238—C237—H237119.7
C135—C136—C137120.6 (4)C233—C238—C237120.5 (4)
C135—C136—H136119.7C233—C238—H238119.7
C137—C136—H136119.7C237—C238—H238119.7
C136—C137—C138119.5 (4)Cl3—C3—Cl4110.7 (4)
C136—C137—H137120.2Cl3—C3—H3A109.5
C138—C137—H137120.2Cl4—C3—H3A109.5
C133—C138—C137120.5 (4)Cl3—C3—H3B109.5
C133—C138—H138119.8Cl4—C3—H3B109.5
C137—C138—H138119.8H3A—C3—H3B108.1
C15—N11—C12—N130.6 (4)C25—N21—C22—N230.3 (4)
C111—N11—C12—N13171.1 (3)C211—N21—C22—N23173.1 (3)
C15—N11—C12—Pd176.6 (3)C25—N21—C22—Pd178.2 (3)
C111—N11—C12—Pd11.6 (5)C211—N21—C22—Pd9.0 (5)
Cl1—Pd—C12—N1370.1 (3)Cl1—Pd—C22—N2188.6 (3)
Cl2—Pd—C12—N13113.2 (3)Cl2—Pd—C22—N2188.0 (3)
Cl1—Pd—C12—N11113.2 (3)Cl1—Pd—C22—N2388.9 (3)
Cl2—Pd—C12—N1163.5 (3)Cl2—Pd—C22—N2394.5 (3)
N11—C12—N13—C141.0 (4)N21—C22—N23—C240.2 (4)
Pd—C12—N13—C14176.3 (3)Pd—C22—N23—C24177.8 (2)
N11—C12—N13—C131179.3 (3)N21—C22—N23—C231178.1 (3)
Pd—C12—N13—C1312.0 (5)Pd—C22—N23—C2313.8 (5)
C12—N13—C14—C151.0 (5)C22—N23—C24—C250.7 (4)
C131—N13—C14—C15179.3 (4)C231—N23—C24—C25177.7 (3)
N13—C14—C15—N110.6 (5)N23—C24—C25—N210.8 (4)
C12—N11—C15—C140.0 (5)C22—N21—C25—C240.7 (4)
C111—N11—C15—C14171.7 (4)C211—N21—C25—C24173.8 (3)
C12—N11—C111—C11290.6 (4)C22—N21—C211—C213138.5 (3)
C15—N11—C111—C11280.0 (5)C25—N21—C211—C21349.5 (5)
C12—N11—C111—C113141.2 (3)C22—N21—C211—C21294.1 (4)
C15—N11—C111—C11348.2 (5)C25—N21—C211—C21277.9 (4)
N11—C111—C113—C114112.8 (4)N21—C211—C213—C218121.8 (4)
C112—C111—C113—C11411.5 (5)C212—C211—C213—C2181.0 (6)
N11—C111—C113—C11870.3 (4)N21—C211—C213—C21457.5 (5)
C112—C111—C113—C118165.5 (4)C212—C211—C213—C214179.6 (4)
C118—C113—C114—C1150.2 (6)C218—C213—C214—C2150.8 (7)
C111—C113—C114—C115176.8 (4)C211—C213—C214—C215178.5 (4)
C113—C114—C115—C1160.6 (7)C213—C214—C215—C2160.1 (7)
C114—C115—C116—C1171.6 (7)C214—C215—C216—C2170.4 (8)
C115—C116—C117—C1181.6 (7)C215—C216—C217—C2181.2 (9)
C116—C117—C118—C1130.8 (6)C214—C213—C218—C2171.7 (8)
C114—C113—C118—C1170.1 (6)C211—C213—C218—C217177.6 (5)
C111—C113—C118—C117177.0 (3)C216—C217—C218—C2132.0 (9)
C12—N13—C131—C13294.1 (4)C22—N23—C231—C232112.3 (4)
C14—N13—C131—C13284.0 (5)C24—N23—C231—C23269.5 (4)
C12—N13—C131—C133137.7 (4)C22—N23—C231—C233118.5 (4)
C14—N13—C131—C13344.2 (5)C24—N23—C231—C23359.7 (4)
N13—C131—C133—C134101.3 (4)N23—C231—C233—C23895.6 (4)
C132—C131—C133—C13423.8 (5)C232—C231—C233—C23830.4 (5)
N13—C131—C133—C13878.6 (4)N23—C231—C233—C23480.8 (4)
C132—C131—C133—C138156.3 (4)C232—C231—C233—C234153.1 (4)
C138—C133—C134—C1351.6 (6)C238—C233—C234—C2351.3 (6)
C131—C133—C134—C135178.3 (4)C231—C233—C234—C235177.9 (4)
C133—C134—C135—C1361.3 (6)C233—C234—C235—C2361.0 (7)
C134—C135—C136—C1370.8 (7)C234—C235—C236—C2370.6 (6)
C135—C136—C137—C1380.6 (7)C235—C236—C237—C2381.9 (7)
C134—C133—C138—C1371.3 (6)C234—C233—C238—C2370.0 (6)
C131—C133—C138—C137178.6 (4)C231—C233—C238—C237176.4 (4)
C136—C137—C138—C1330.8 (7)C236—C237—C238—C2331.6 (7)
 

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