Palladium(II) complexes of a bridging amine bis­(phenolate) ligand featuring κ² and κ³ coordination modes

The crystal structure of a palladium(II) coordination compound features the same ligand bound to the metal center in both a κ² and κ³ fashion.

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean [sigma](C-C) = 0.003 Å
• Disorder in main residue
• R factor = 0.033
• wR factor = 0.076
• Data-to-parameter ratio = 24.7

checkCIF/PLATON results

No syntax errors found



Datablock: I


Alert level B
PLAT910_ALERT_3_B Missing # of FCF Reflection(s) Below Theta(Min).         21 Note

Author Response: Data were collected with a sealed tube molybdenum wavelength instrument with 0.6 mm beam size and the smallest suitable beam stop. The crystal to beam stop distance is not adjustable. For large unit cell sizes such as is the case here some reflections are obstructed by the beam stop.

Alert level C
PLAT041_ALERT_1_C Calc. and Reported SumFormula    Strings  Differ     Please Check
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.30 Report
PLAT213_ALERT_2_C Atom C47             has ADP max/min Ratio .....        3.2 prolat
PLAT213_ALERT_2_C Atom C47B            has ADP max/min Ratio .....        3.4 prolat
PLAT220_ALERT_2_C Non-Solvent  Resd 1  C   Ueq(max)/Ueq(min) Range        4.6 Ratio
PLAT222_ALERT_3_C Non-Solv.  Resd 1  H   Uiso(max)/Uiso(min) Range        5.4 Ratio
PLAT413_ALERT_2_C Short Inter XH3 .. XHn     H68C     ..H49E     .       2.10 Ang.
                                              x,3/2-y,1/2+z  =      4_576 Check
PLAT414_ALERT_2_C Short Intra D-H..H-X       H3       ..H54A             1.95 Ang.
                                                      x,y,z  =      1_555 Check
PLAT414_ALERT_2_C Short Intra D-H..H-X       H4       ..H39A             1.93 Ang.
                                                      x,y,z  =      1_555 Check
PLAT480_ALERT_4_C Long H...A H-Bond Reported H69A     ..CL1      .       2.90 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H6       ..CL2      .       2.90 Ang.
PLAT911_ALERT_3_C Missing FCF Refl Between Thmin & STh/L=    0.600         28 Report
PLAT971_ALERT_2_C Check Calcd Resid. Dens.  0.67A   From Pd1             1.79 eA-3
PLAT977_ALERT_2_C Check Negative Difference Density on H3               -0.32 eA-3

Alert level G
PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite         33 Note
PLAT003_ALERT_2_G Number of Uiso or Uij Restrained non-H Atoms ...         15 Report
PLAT007_ALERT_5_G Number of Unrefined Donor-H Atoms ..............          9 Report
PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT  Unusually Large       7.30 Why ?
PLAT171_ALERT_4_G The CIF-Embedded .res File Contains EADP Records          2 Report
PLAT172_ALERT_4_G The CIF-Embedded .res File Contains DFIX Records          4 Report
PLAT175_ALERT_4_G The CIF-Embedded .res File Contains SAME Records          1 Report
PLAT176_ALERT_4_G The CIF-Embedded .res File Contains SADI Records          7 Report
PLAT178_ALERT_4_G The CIF-Embedded .res File Contains SIMU Records          3 Report
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Pd2      --Cl2      .        6.5 s.u.
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Pd2      --Cl3      .        6.0 s.u.
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Pd1      --Cl1      .        8.0 s.u.
PLAT301_ALERT_3_G Main Residue  Disorder ..............(Resd  1  )        15% Note
PLAT302_ALERT_4_G Anion/Solvent/Minor-Residue Disorder (Resd  2  )         3% Note
PLAT302_ALERT_4_G Anion/Solvent/Minor-Residue Disorder (Resd  3  )       100% Note
PLAT302_ALERT_4_G Anion/Solvent/Minor-Residue Disorder (Resd  4  )       100% Note
PLAT302_ALERT_4_G Anion/Solvent/Minor-Residue Disorder (Resd  5  )       100% Note
PLAT302_ALERT_4_G Anion/Solvent/Minor-Residue Disorder (Resd  6  )       100% Note
PLAT304_ALERT_4_G Non-Integer Number of Atoms in ...... Resd  3          4.11 Check
PLAT304_ALERT_4_G Non-Integer Number of Atoms in ...... Resd  4          5.06 Check
PLAT304_ALERT_4_G Non-Integer Number of Atoms in ...... Resd  5          0.94 Check
PLAT304_ALERT_4_G Non-Integer Number of Atoms in ...... Resd  6          0.94 Check
PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd.  #          5 Note
              C H4 O
PLAT793_ALERT_4_G Model has Chirality at N1          (Centro SPGR)          R Verify
PLAT793_ALERT_4_G Model has Chirality at N2          (Centro SPGR)          R Verify
PLAT793_ALERT_4_G Model has Chirality at N3          (Centro SPGR)          S Verify
PLAT793_ALERT_4_G Model has Chirality at N4          (Centro SPGR)          S Verify
PLAT860_ALERT_3_G Number of Least-Squares Restraints .............        186 Note
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600        346 Note
PLAT913_ALERT_3_G Missing # of Very Strong Reflections in FCF ....          2 Note
PLAT933_ALERT_2_G Number of OMIT Records in Embedded .res File ...          2 Note
PLAT978_ALERT_2_G Number C-C Bonds with Positive Residual Density.          4 Info

   0 ALERT level A = Most likely a serious problem - resolve or explain
   1 ALERT level B = A potentially serious problem, consider carefully
  14 ALERT level C = Check. Ensure it is not caused by an omission or oversight
  32 ALERT level G = General information/check it is not something unexpected

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  17 ALERT type 2 Indicator that the structure model may be wrong or deficient
   6 ALERT type 3 Indicator that the structure quality may be low
  22 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

---

Computing details

Data collection: APEX3 (Bruker, 2016); cell refinement: SAINT (Bruker, 2016); data reduction: SAINT (Bruker, 2016); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2016/6 (Sheldrick, 2015), SHELXLE (Hübschle et al., 2011); molecular graphics: OLEX2 (Dolomanov, 2009), VESTA (Momma & Izumi, 2011); software used to prepare material for publication: publCIF (Westrip, 2010).

Dichlorido({6,6'-[(ethane-1,2-diylbis(methylazanediyl)]bis(methylene)}bis(2,4-di-tert-butylphenol))palladium(II) chlorido(2,4-di-tert-butyl-6-{[(2-{[(3,5-di-tert-butyl-2-hydroxyphenyl)methyl](methyl)amino}ethyl)(methyl)amino]methyl}phenolato)palladium(II) methanol 1.685-solvate 0.315-hydrate

Crystal data

[PdCl2(C34H56N2O2)][PdCl(C34H55N2O2)]·1.685CH4O·0.315H2O	F(000) = 3022
Mr = 1427.41	Dx = 1.276 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
a = 15.8843 (5) Å	Cell parameters from 9425 reflections
b = 29.780 (1) Å	θ = 2.9–36.3°
c = 16.6629 (6) Å	µ = 0.64 mm^−1
β = 109.5536 (12)°	T = 100 K
V = 7427.6 (4) Å^3	Plate, orange
Z = 4	0.42 × 0.27 × 0.09 mm

Data collection

Bruker AXS D8 Quest CMOS diffractometer	22272 independent reflections
Radiation source: sealed tube X-ray source	18396 reflections with I > 2σ(I)
Triumph curved graphite crystal monochromator	Rint = 0.041
ω and phi scans	θmax = 30.5°, θmin = 2.9°
Absorption correction: multi-scan (SADABS; Krause et al., 2015)	h = −22→22
Tmin = 0.656, Tmax = 0.747	k = −42→35
87447 measured reflections	l = −18→23

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.033	Hydrogen site location: mixed
wR(F^2) = 0.076	H atoms treated by a mixture of independent and constrained refinement
S = 1.03	w = 1/[σ^2(Fo^2) + (0.0251P)^2 + 7.3036P] where P = (Fo^2 + 2Fc^2)/3
22272 reflections	(Δ/σ)max = 0.006
900 parameters	Δρmax = 2.12 e Å^−3
186 restraints	Δρmin = −0.92 e Å^−3

Special details

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

Refinement. Three of the four phenol hydroxyl groups are positionally disordered by rotation of the aromatic ring. For two of the three minor moieties the O-C distance and the 1,3 O to C distances of the minor and major moieties were restrained to be similar. Minor O atom O2B was constrained to have the same ADP as the C atom it is bonded to. Two phenol H atom positions were positionally restrained based on H-bonding considerations and to avoid close contacts to C bound H atoms. Subject to these conditions the occupancy rates of the major moieties refined to 0.917 (3), 0.857 (4) and 0.899 (4). A tert butyl group was refined as rotationally disordered. The two moieties were restrained to have similar geometries, the central C atoms to share one ADP, and Uij components of ADPs were restrained to be similar. Subject to these conditions the occupancy ratio refined to 0.716 (8) to 0.284 (8). One solvate methanol molecule was refined as disordered over two orientations, and another to be disordered with a water molecule. The O-C distance of the major and minor methanol molecules were restrained to be similar, and Uij components of ADPs were restrained to be similar for the three methanol and the one water moiety. Water H atoms were restrained to have O-H bond lengths of 0.84 (2) Angstroms, and 1.36 (2) Angstrom H···H distances. Subject to these conditions the occupancy ratio refined to 0.685 (8) to 0.315 (8) for the methanol to water ratio, and 0.843 (4) to 0.157 (4) for the methanol to methanol ratio.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
C1	0.17953 (11)	0.80735 (7)	0.30459 (11)	0.0194 (3)
H1A	0.124296	0.825478	0.291263	0.023*
H1B	0.164217	0.775609	0.310792	0.023*
C2	0.21826 (11)	0.81161 (6)	0.23312 (11)	0.0186 (3)
H2A	0.177086	0.797913	0.180441	0.022*
H2B	0.225933	0.843696	0.221660	0.022*
C3	0.25578 (12)	0.87326 (6)	0.38525 (12)	0.0189 (3)
H3A	0.274902	0.882313	0.337477	0.028*
H3B	0.300237	0.883118	0.438856	0.028*
H3C	0.197988	0.887119	0.379094	0.028*
C4	0.29176 (14)	0.73906 (6)	0.23957 (13)	0.0252 (4)
H4A	0.259934	0.735029	0.178526	0.038*
H4B	0.255957	0.726570	0.272035	0.038*
H4C	0.349382	0.723493	0.255466	0.038*
C5	0.22069 (11)	0.80871 (6)	0.46069 (11)	0.0175 (3)
H5A	0.159724	0.819662	0.453394	0.021*
H5B	0.219857	0.775496	0.462801	0.021*
C6	0.28488 (11)	0.82650 (6)	0.54299 (11)	0.0172 (3)
C7	0.25435 (12)	0.85501 (6)	0.59361 (12)	0.0203 (3)
H7	0.192537	0.862079	0.576693	0.024*
C8	0.31289 (13)	0.87344 (6)	0.66884 (12)	0.0214 (4)
C9	0.40305 (12)	0.86206 (6)	0.69068 (11)	0.0195 (3)
H9	0.443524	0.874213	0.741761	0.023*
C10	0.43751 (11)	0.83389 (6)	0.64207 (11)	0.0176 (3)
C11	0.37664 (11)	0.81525 (6)	0.56647 (11)	0.0165 (3)
C12	0.27754 (14)	0.90546 (7)	0.72233 (13)	0.0278 (4)
C13	0.2301 (2)	0.94537 (9)	0.66700 (18)	0.0493 (7)
H13A	0.271220	0.960154	0.642776	0.074*
H13B	0.211116	0.966851	0.702121	0.074*
H13C	0.177649	0.934537	0.620839	0.074*
C14	0.2107 (2)	0.88091 (10)	0.75446 (19)	0.0514 (7)
H14A	0.162850	0.868296	0.705981	0.077*
H14B	0.185163	0.902034	0.785119	0.077*
H14C	0.241205	0.856620	0.792902	0.077*
C15	0.35247 (18)	0.92506 (9)	0.79799 (15)	0.0401 (6)
H15A	0.394948	0.941150	0.777254	0.060*
H15B	0.383447	0.900697	0.835955	0.060*
H15C	0.326986	0.945892	0.829225	0.060*
C16	0.53860 (11)	0.82428 (6)	0.66905 (11)	0.0190 (3)
C17	0.57415 (12)	0.84092 (7)	0.59878 (12)	0.0238 (4)
H17A	0.544245	0.824557	0.545847	0.036*
H17B	0.638691	0.835647	0.616394	0.036*
H17C	0.562100	0.873116	0.589428	0.036*
C18	0.55738 (13)	0.77371 (7)	0.68368 (13)	0.0239 (4)
H18A	0.525242	0.757245	0.631485	0.036*
H18B	0.537201	0.763440	0.730096	0.036*
H18C	0.621664	0.768247	0.698789	0.036*
C19	0.59150 (13)	0.84892 (8)	0.75145 (13)	0.0289 (4)
H19A	0.655086	0.841619	0.766644	0.043*
H19B	0.569987	0.839469	0.797507	0.043*
H19C	0.583179	0.881385	0.742794	0.043*
C20	0.36366 (12)	0.80514 (6)	0.20834 (11)	0.0194 (3)
H20A	0.422187	0.789679	0.228461	0.023*
H20B	0.334165	0.797097	0.147732	0.023*
C21	0.37937 (12)	0.85519 (6)	0.21469 (11)	0.0179 (3)
C22	0.44292 (12)	0.87334 (7)	0.28698 (11)	0.0201 (3)
H22	0.476336	0.853829	0.331313	0.024*	0.917 (3)
C23	0.45843 (12)	0.91936 (7)	0.29554 (12)	0.0216 (4)
C24	0.40753 (12)	0.94681 (7)	0.22901 (12)	0.0224 (4)
H24	0.416930	0.978327	0.234504	0.027*
C25	0.34364 (12)	0.93061 (7)	0.15490 (12)	0.0209 (4)
C26	0.33134 (12)	0.88384 (7)	0.14817 (11)	0.0213 (4)
H26	0.289926	0.871434	0.097885	0.026*	0.083 (3)
C27	0.52639 (14)	0.93896 (7)	0.37683 (13)	0.0274 (4)
C28	0.5518 (2)	0.98740 (10)	0.36385 (17)	0.0528 (8)
H28A	0.577123	0.988309	0.317726	0.079*
H28B	0.596057	0.998444	0.416539	0.079*
H28C	0.498403	1.006414	0.348971	0.079*
C29	0.61076 (15)	0.90945 (10)	0.40685 (17)	0.0475 (7)
H29A	0.594515	0.879079	0.418959	0.071*
H29B	0.653492	0.922361	0.458601	0.071*
H29C	0.637970	0.908136	0.362089	0.071*
C30	0.48404 (16)	0.93941 (8)	0.44706 (13)	0.0320 (5)
H30A	0.431519	0.959059	0.430062	0.048*
H30B	0.527586	0.950598	0.500060	0.048*
H30C	0.465948	0.908872	0.455959	0.048*
C31	0.28669 (13)	0.96291 (7)	0.08547 (13)	0.0235 (4)
C32	0.18826 (14)	0.95698 (8)	0.07806 (15)	0.0310 (4)
H32A	0.151257	0.978120	0.035828	0.047*
H32B	0.181486	0.962839	0.133454	0.047*
H32C	0.169280	0.926184	0.060189	0.047*
C33	0.29709 (16)	0.95343 (8)	−0.00108 (13)	0.0342 (5)
H33A	0.257826	0.973494	−0.044085	0.051*
H33B	0.280830	0.922156	−0.017292	0.051*
H33C	0.359260	0.958571	0.002776	0.051*
C34	0.31216 (15)	1.01223 (7)	0.10743 (15)	0.0335 (5)
H34A	0.274848	1.031531	0.061685	0.050*
H34B	0.375168	1.016687	0.113673	0.050*
H34C	0.302732	1.019955	0.160962	0.050*
C35	0.82670 (13)	0.78738 (7)	0.62727 (12)	0.0227 (4)
H35A	0.824884	0.784692	0.685884	0.027*
H35B	0.814599	0.819066	0.609060	0.027*
C36	0.75680 (12)	0.75753 (6)	0.56829 (12)	0.0214 (4)
H36A	0.763320	0.726637	0.591504	0.026*
H36B	0.696603	0.768609	0.563713	0.026*
C37	0.94963 (15)	0.73294 (7)	0.67850 (12)	0.0260 (4)
H37A	0.906169	0.708645	0.657586	0.039*
H37B	0.956574	0.739453	0.738028	0.039*
H37C	1.007331	0.723757	0.674484	0.039*
C38	0.72900 (13)	0.79913 (7)	0.43422 (14)	0.0276 (4)
H38A	0.733626	0.797676	0.377086	0.041*
H38B	0.762670	0.825093	0.464726	0.041*
H38C	0.666107	0.802153	0.429580	0.041*
C39	0.98438 (13)	0.81102 (7)	0.66335 (12)	0.0242 (4)
H39A	0.994263	0.813458	0.725091	0.029*
H39B	1.042106	0.803016	0.656532	0.029*
C40	0.95395 (12)	0.85599 (7)	0.62173 (12)	0.0223 (4)
C41	0.96205 (12)	0.86495 (7)	0.54242 (12)	0.0216 (4)
H41	0.992642	0.844110	0.518897	0.026*	0.899 (4)
C42	0.92636 (12)	0.90370 (6)	0.49693 (12)	0.0206 (3)
C43	0.88280 (12)	0.93363 (6)	0.53447 (12)	0.0220 (4)
H43	0.856925	0.959867	0.503581	0.026*
C44	0.87513 (12)	0.92721 (6)	0.61466 (12)	0.0230 (4)
C45	0.91311 (13)	0.88776 (7)	0.65884 (12)	0.0247 (4)
H45	0.911017	0.882651	0.714420	0.030*	0.101 (4)
C46	0.9314 (4)	0.9110 (2)	0.4058 (6)	0.0242 (7)	0.716 (8)
C47	1.0265 (4)	0.9038 (3)	0.4074 (6)	0.083 (3)	0.716 (8)
H47A	1.029465	0.908772	0.350239	0.125*	0.716 (8)
H47B	1.045109	0.872976	0.425470	0.125*	0.716 (8)
H47C	1.066331	0.924959	0.447385	0.125*	0.716 (8)
C48	0.9003 (4)	0.95804 (12)	0.3720 (3)	0.0453 (12)	0.716 (8)
H48A	0.905189	0.961543	0.315213	0.068*	0.716 (8)
H48B	0.937886	0.980505	0.410573	0.068*	0.716 (8)
H48C	0.837993	0.962226	0.368466	0.068*	0.716 (8)
C49	0.8698 (3)	0.87713 (15)	0.3444 (2)	0.0431 (11)	0.716 (8)
H49A	0.808235	0.881608	0.343165	0.065*	0.716 (8)
H49B	0.889015	0.846534	0.363541	0.065*	0.716 (8)
H49C	0.872653	0.881615	0.287067	0.065*	0.716 (8)
C46B	0.9326 (11)	0.9135 (5)	0.4130 (16)	0.0242 (7)	0.284 (8)
C47B	1.0007 (11)	0.8840 (6)	0.3924 (10)	0.060 (5)	0.284 (8)
H47D	1.005037	0.892881	0.337305	0.090*	0.284 (8)
H47E	0.981869	0.852516	0.389804	0.090*	0.284 (8)
H47F	1.059127	0.887487	0.436844	0.090*	0.284 (8)
C48B	0.9648 (9)	0.9616 (3)	0.4077 (8)	0.049 (3)	0.284 (8)
H48D	0.971671	0.966356	0.352024	0.073*	0.284 (8)
H48E	1.022428	0.966322	0.452747	0.073*	0.284 (8)
H48F	0.920922	0.982931	0.415005	0.073*	0.284 (8)
C49B	0.8410 (6)	0.9070 (6)	0.3445 (6)	0.056 (4)	0.284 (8)
H49D	0.821845	0.875775	0.345083	0.084*	0.284 (8)
H49E	0.845064	0.914116	0.288509	0.084*	0.284 (8)
H49F	0.797498	0.927024	0.356195	0.084*	0.284 (8)
C50	0.82772 (15)	0.96168 (7)	0.65348 (14)	0.0302 (4)
C51	0.74905 (17)	0.93991 (9)	0.67292 (17)	0.0415 (6)
H51A	0.707962	0.926466	0.620829	0.062*
H51B	0.717428	0.962812	0.694078	0.062*
H51C	0.771552	0.916550	0.716264	0.062*
C52	0.78897 (16)	1.00097 (8)	0.59236 (17)	0.0397 (6)
H52A	0.745544	0.989460	0.539595	0.060*
H52B	0.837358	1.016372	0.579297	0.060*
H52C	0.759325	1.022123	0.619244	0.060*
C53	0.89511 (18)	0.98139 (9)	0.73532 (16)	0.0434 (6)
H53A	0.945630	0.994493	0.722265	0.065*
H53B	0.916729	0.957504	0.777697	0.065*
H53C	0.865827	1.004723	0.758047	0.065*
C54	0.71609 (11)	0.71773 (6)	0.43015 (12)	0.0199 (3)
H54A	0.651256	0.724189	0.411538	0.024*
H54B	0.733107	0.714500	0.378453	0.024*
C55	0.73381 (11)	0.67400 (6)	0.47843 (11)	0.0181 (3)
C56	0.81404 (11)	0.65147 (6)	0.49064 (11)	0.0190 (3)
H56	0.853784	0.662458	0.463438	0.023*	0.857 (4)
C57	0.83762 (12)	0.61328 (6)	0.54161 (11)	0.0192 (3)
C58	0.77628 (13)	0.59762 (6)	0.57860 (12)	0.0223 (4)
H58	0.791871	0.571904	0.614255	0.027*
C59	0.69358 (12)	0.61752 (7)	0.56624 (12)	0.0219 (4)
C60	0.67343 (11)	0.65639 (7)	0.51527 (12)	0.0206 (3)
H60	0.617740	0.671004	0.505629	0.025*	0.143 (4)
C61	0.92834 (13)	0.59069 (7)	0.55567 (13)	0.0244 (4)
C62	0.94060 (16)	0.54802 (8)	0.60966 (15)	0.0349 (5)
H62A	0.892231	0.526887	0.582237	0.052*
H62B	0.939272	0.555719	0.666405	0.052*
H62C	0.998155	0.534161	0.614894	0.052*
C63	0.93679 (14)	0.57830 (8)	0.46884 (14)	0.0304 (4)
H63A	0.887427	0.558430	0.437847	0.046*
H63B	0.993754	0.562897	0.477896	0.046*
H63C	0.934557	0.605684	0.435584	0.046*
C64	1.00323 (13)	0.62374 (8)	0.60294 (15)	0.0335 (5)
H64A	1.061471	0.609641	0.612221	0.050*
H64B	0.997492	0.631604	0.657991	0.050*
H64C	0.998313	0.650978	0.568673	0.050*
C65	0.62817 (14)	0.59830 (8)	0.60747 (15)	0.0327 (5)
C66	0.61091 (16)	0.63295 (9)	0.66877 (16)	0.0403 (6)
H66A	0.585029	0.660190	0.637104	0.060*
H66B	0.667416	0.640399	0.713348	0.060*
H66C	0.569293	0.620302	0.694870	0.060*
C67	0.54135 (17)	0.58412 (11)	0.5376 (2)	0.0559 (8)
H67A	0.513127	0.610499	0.504278	0.084*
H67B	0.500538	0.570766	0.563928	0.084*
H67C	0.555000	0.562032	0.500144	0.084*
C68	0.6653 (2)	0.55572 (9)	0.66041 (19)	0.0482 (7)
H68A	0.677181	0.532695	0.623551	0.072*
H68B	0.621436	0.544351	0.685028	0.072*
H68C	0.720940	0.563107	0.706248	0.072*
O5	0.3231 (2)	0.70311 (9)	0.50018 (17)	0.0253 (7)	0.685 (8)
H5	0.347038	0.728568	0.510765	0.038*	0.685 (8)
C69	0.3784 (3)	0.67414 (13)	0.4738 (3)	0.0462 (12)	0.685 (8)
H69A	0.387186	0.686296	0.422488	0.069*	0.685 (8)
H69B	0.350314	0.644488	0.461162	0.069*	0.685 (8)
H69C	0.436337	0.671417	0.519210	0.069*	0.685 (8)
O5B	0.3750 (8)	0.6952 (2)	0.5134 (4)	0.042 (2)	0.315 (8)
H5C	0.380 (7)	0.7231 (9)	0.520 (6)	0.063*	0.315 (8)
H5D	0.341 (7)	0.690 (3)	0.462 (3)	0.063*	0.315 (8)
O6	1.02032 (15)	0.66923 (8)	0.36487 (12)	0.0432 (6)	0.843 (4)
H6	1.001717	0.691429	0.385152	0.065*	0.843 (4)
C70	1.1050 (3)	0.65658 (16)	0.4205 (2)	0.0439 (9)	0.843 (4)
H70A	1.149634	0.678422	0.416707	0.066*	0.843 (4)
H70B	1.120249	0.626776	0.404579	0.066*	0.843 (4)
H70C	1.104027	0.655737	0.478980	0.066*	0.843 (4)
O6B	1.1055 (10)	0.7095 (5)	0.3721 (9)	0.063 (4)	0.157 (4)
H6B	1.082514	0.725418	0.400806	0.095*	0.157 (4)
C70B	1.104 (3)	0.6652 (8)	0.3948 (17)	0.065 (6)	0.157 (4)
H70D	1.116875	0.663148	0.456460	0.097*	0.157 (4)
H70E	1.148844	0.648392	0.378888	0.097*	0.157 (4)
H70F	1.044521	0.652638	0.365208	0.097*	0.157 (4)
N1	0.24699 (9)	0.82353 (5)	0.38574 (9)	0.0144 (3)
N2	0.30708 (9)	0.78810 (5)	0.25896 (9)	0.0153 (3)
N3	0.91741 (10)	0.77394 (5)	0.62590 (9)	0.0177 (3)
N4	0.76653 (9)	0.75710 (5)	0.48193 (9)	0.0172 (3)
O1	0.40507 (8)	0.78699 (4)	0.51791 (7)	0.0172 (2)
O2	0.26805 (12)	0.86608 (5)	0.07650 (10)	0.0330 (4)	0.917 (3)
H2	0.290674	0.844771	0.057669	0.049*	0.917 (3)
O2B	0.5034 (9)	0.8514 (5)	0.3518 (8)	0.0201 (3)	0.083 (3)
H2C	0.486603	0.824743	0.353287	0.030*	0.083 (3)
O3	0.59302 (10)	0.67610 (6)	0.50671 (11)	0.0295 (5)	0.857 (4)
H3	0.575190	0.690570	0.460818	0.044*	0.857 (4)
O3B	0.8753 (6)	0.6616 (3)	0.4513 (7)	0.024 (3)	0.143 (4)
H3D	0.871900	0.689051	0.438845	0.036*	0.143 (4)
O4	0.90424 (13)	0.88163 (6)	0.73783 (10)	0.0337 (5)	0.899 (4)
H4	0.943603	0.863677	0.766568	0.051*	0.899 (4)
O4B	1.0122 (8)	0.8408 (4)	0.5013 (7)	0.022 (4)	0.101 (4)
H4D	1.041665	0.820583	0.533947	0.033*	0.101 (4)
Pd1	0.36273 (2)	0.79241 (2)	0.39043 (2)	0.01248 (3)
Pd2	0.90248 (2)	0.75700 (2)	0.50140 (2)	0.01722 (3)
Cl1	0.49514 (3)	0.75869 (2)	0.39289 (3)	0.02383 (9)
Cl2	1.05553 (3)	0.75220 (2)	0.52937 (3)	0.02905 (11)
Cl3	0.87855 (4)	0.74325 (2)	0.35902 (3)	0.03647 (13)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
C1	0.0134 (7)	0.0250 (9)	0.0175 (8)	−0.0010 (7)	0.0021 (6)	−0.0029 (7)
C2	0.0145 (7)	0.0250 (9)	0.0142 (8)	0.0016 (7)	0.0021 (6)	−0.0014 (7)
C3	0.0197 (8)	0.0139 (8)	0.0249 (9)	0.0018 (7)	0.0096 (7)	0.0010 (6)
C4	0.0309 (10)	0.0181 (9)	0.0260 (10)	−0.0027 (8)	0.0089 (8)	−0.0083 (7)
C5	0.0146 (7)	0.0226 (8)	0.0172 (8)	−0.0009 (7)	0.0077 (6)	0.0005 (6)
C6	0.0163 (7)	0.0203 (8)	0.0161 (8)	0.0004 (7)	0.0069 (6)	0.0010 (6)
C7	0.0205 (8)	0.0225 (9)	0.0211 (8)	0.0021 (7)	0.0111 (7)	0.0003 (7)
C8	0.0271 (9)	0.0227 (9)	0.0182 (8)	0.0001 (7)	0.0125 (7)	−0.0017 (7)
C9	0.0240 (8)	0.0212 (8)	0.0138 (8)	−0.0039 (7)	0.0072 (6)	−0.0014 (6)
C10	0.0188 (7)	0.0206 (8)	0.0141 (8)	−0.0004 (7)	0.0062 (6)	0.0018 (6)
C11	0.0192 (7)	0.0180 (8)	0.0143 (7)	0.0009 (7)	0.0081 (6)	0.0019 (6)
C12	0.0350 (10)	0.0260 (10)	0.0278 (10)	0.0001 (9)	0.0177 (9)	−0.0087 (8)
C13	0.0653 (18)	0.0386 (14)	0.0454 (15)	0.0174 (13)	0.0202 (13)	−0.0054 (12)
C14	0.0624 (17)	0.0483 (16)	0.0654 (18)	−0.0167 (14)	0.0506 (15)	−0.0241 (14)
C15	0.0536 (14)	0.0372 (13)	0.0344 (12)	−0.0036 (11)	0.0212 (11)	−0.0139 (10)
C16	0.0166 (7)	0.0236 (9)	0.0152 (8)	−0.0016 (7)	0.0035 (6)	0.0024 (6)
C17	0.0196 (8)	0.0282 (10)	0.0242 (9)	−0.0026 (8)	0.0082 (7)	0.0057 (8)
C18	0.0211 (8)	0.0255 (9)	0.0235 (9)	0.0006 (8)	0.0052 (7)	0.0051 (7)
C19	0.0241 (9)	0.0357 (11)	0.0210 (9)	−0.0026 (8)	−0.0002 (7)	−0.0032 (8)
C20	0.0224 (8)	0.0240 (9)	0.0139 (8)	0.0036 (7)	0.0090 (6)	−0.0010 (6)
C21	0.0202 (8)	0.0204 (8)	0.0158 (8)	0.0021 (7)	0.0095 (6)	0.0029 (6)
C22	0.0193 (8)	0.0277 (9)	0.0151 (8)	0.0027 (7)	0.0079 (6)	0.0033 (7)
C23	0.0213 (8)	0.0276 (10)	0.0185 (8)	−0.0027 (7)	0.0099 (7)	0.0000 (7)
C24	0.0246 (9)	0.0232 (9)	0.0227 (9)	0.0002 (7)	0.0125 (7)	0.0018 (7)
C25	0.0217 (8)	0.0244 (9)	0.0194 (8)	0.0047 (7)	0.0104 (7)	0.0042 (7)
C26	0.0218 (8)	0.0266 (9)	0.0155 (8)	0.0042 (7)	0.0065 (7)	0.0019 (7)
C27	0.0283 (9)	0.0310 (11)	0.0220 (9)	−0.0034 (8)	0.0072 (8)	−0.0010 (8)
C28	0.0636 (17)	0.0521 (16)	0.0329 (13)	−0.0340 (14)	0.0032 (12)	0.0030 (12)
C29	0.0257 (10)	0.0689 (19)	0.0408 (14)	0.0030 (12)	0.0016 (10)	−0.0218 (13)
C30	0.0417 (12)	0.0330 (11)	0.0198 (9)	0.0031 (10)	0.0085 (9)	−0.0029 (8)
C31	0.0241 (9)	0.0231 (9)	0.0247 (9)	0.0063 (8)	0.0102 (7)	0.0061 (7)
C32	0.0258 (9)	0.0290 (11)	0.0387 (12)	0.0067 (8)	0.0113 (9)	0.0069 (9)
C33	0.0408 (12)	0.0397 (12)	0.0238 (10)	0.0187 (10)	0.0129 (9)	0.0132 (9)
C34	0.0360 (11)	0.0259 (10)	0.0376 (12)	0.0029 (9)	0.0109 (9)	0.0079 (9)
C35	0.0272 (9)	0.0251 (9)	0.0226 (9)	0.0019 (8)	0.0172 (7)	0.0005 (7)
C36	0.0222 (8)	0.0219 (9)	0.0272 (9)	0.0018 (7)	0.0176 (7)	0.0017 (7)
C37	0.0385 (11)	0.0247 (10)	0.0163 (9)	0.0086 (8)	0.0115 (8)	0.0048 (7)
C38	0.0190 (8)	0.0242 (10)	0.0375 (11)	0.0018 (7)	0.0065 (8)	0.0133 (8)
C39	0.0252 (9)	0.0256 (9)	0.0168 (8)	0.0005 (8)	0.0005 (7)	−0.0001 (7)
C40	0.0208 (8)	0.0230 (9)	0.0192 (9)	−0.0031 (7)	0.0015 (7)	−0.0006 (7)
C41	0.0182 (8)	0.0226 (9)	0.0228 (9)	0.0006 (7)	0.0055 (7)	−0.0012 (7)
C42	0.0178 (8)	0.0222 (9)	0.0217 (9)	−0.0028 (7)	0.0063 (7)	−0.0009 (7)
C43	0.0195 (8)	0.0187 (8)	0.0262 (9)	−0.0032 (7)	0.0056 (7)	−0.0029 (7)
C44	0.0221 (8)	0.0213 (9)	0.0248 (9)	−0.0063 (7)	0.0069 (7)	−0.0085 (7)
C45	0.0270 (9)	0.0259 (10)	0.0189 (9)	−0.0061 (8)	0.0047 (7)	−0.0055 (7)
C46	0.0223 (9)	0.0295 (12)	0.0238 (19)	0.0036 (9)	0.0115 (9)	0.0053 (10)
C47	0.030 (2)	0.177 (10)	0.052 (4)	0.025 (4)	0.026 (2)	0.043 (5)
C48	0.076 (3)	0.0276 (17)	0.037 (2)	0.0010 (19)	0.025 (2)	0.0098 (14)
C49	0.065 (3)	0.041 (2)	0.0230 (16)	−0.007 (2)	0.0152 (16)	−0.0002 (15)
C46B	0.0223 (9)	0.0295 (12)	0.0238 (19)	0.0036 (9)	0.0115 (9)	0.0053 (10)
C47B	0.073 (11)	0.086 (10)	0.033 (6)	0.066 (9)	0.035 (8)	0.035 (7)
C48B	0.070 (8)	0.035 (5)	0.059 (7)	−0.011 (5)	0.045 (6)	0.005 (4)
C49B	0.035 (5)	0.114 (12)	0.020 (4)	−0.021 (6)	0.010 (4)	0.007 (5)
C50	0.0325 (10)	0.0257 (10)	0.0349 (11)	−0.0077 (9)	0.0146 (9)	−0.0142 (9)
C51	0.0402 (12)	0.0415 (14)	0.0515 (15)	−0.0076 (11)	0.0270 (12)	−0.0154 (11)
C52	0.0388 (12)	0.0252 (11)	0.0575 (16)	0.0020 (10)	0.0193 (11)	−0.0127 (10)
C53	0.0499 (14)	0.0412 (14)	0.0401 (14)	−0.0137 (12)	0.0164 (11)	−0.0247 (11)
C54	0.0139 (7)	0.0249 (9)	0.0192 (8)	0.0001 (7)	0.0032 (6)	0.0056 (7)
C55	0.0139 (7)	0.0220 (8)	0.0165 (8)	−0.0012 (7)	0.0027 (6)	0.0019 (6)
C56	0.0166 (7)	0.0227 (9)	0.0169 (8)	−0.0015 (7)	0.0043 (6)	−0.0008 (7)
C57	0.0185 (8)	0.0197 (8)	0.0164 (8)	0.0005 (7)	0.0019 (6)	−0.0023 (6)
C58	0.0257 (9)	0.0195 (8)	0.0196 (9)	−0.0019 (7)	0.0049 (7)	0.0011 (7)
C59	0.0195 (8)	0.0242 (9)	0.0212 (9)	−0.0050 (7)	0.0057 (7)	0.0004 (7)
C60	0.0137 (7)	0.0262 (9)	0.0198 (8)	−0.0008 (7)	0.0029 (6)	0.0022 (7)
C61	0.0218 (8)	0.0233 (9)	0.0247 (9)	0.0042 (7)	0.0035 (7)	−0.0028 (7)
C62	0.0362 (11)	0.0291 (11)	0.0325 (12)	0.0114 (9)	0.0025 (9)	0.0028 (9)
C63	0.0256 (9)	0.0338 (11)	0.0305 (11)	0.0042 (9)	0.0078 (8)	−0.0080 (9)
C64	0.0188 (9)	0.0328 (11)	0.0414 (13)	0.0047 (8)	0.0002 (8)	−0.0139 (9)
C65	0.0266 (10)	0.0385 (12)	0.0348 (11)	−0.0073 (9)	0.0127 (9)	0.0074 (9)
C66	0.0344 (11)	0.0534 (15)	0.0414 (13)	0.0084 (11)	0.0236 (10)	0.0136 (11)
C67	0.0356 (13)	0.068 (2)	0.0628 (19)	−0.0263 (14)	0.0140 (13)	0.0035 (15)
C68	0.0594 (16)	0.0381 (14)	0.0593 (17)	−0.0032 (13)	0.0362 (14)	0.0174 (12)
O5	0.0307 (15)	0.0231 (12)	0.0259 (12)	−0.0020 (11)	0.0144 (11)	−0.0014 (9)
C69	0.055 (2)	0.0218 (17)	0.081 (3)	−0.0019 (16)	0.048 (2)	−0.003 (2)
O5B	0.076 (6)	0.021 (3)	0.038 (3)	−0.006 (3)	0.030 (4)	0.003 (2)
O6	0.0493 (13)	0.0515 (14)	0.0208 (10)	0.0174 (10)	0.0011 (9)	−0.0052 (8)
C70	0.0377 (15)	0.064 (2)	0.033 (2)	0.0077 (17)	0.0156 (16)	−0.0036 (16)
O6B	0.079 (8)	0.072 (8)	0.053 (7)	−0.012 (7)	0.041 (6)	−0.011 (6)
C70B	0.078 (10)	0.083 (10)	0.039 (10)	0.007 (9)	0.027 (9)	−0.005 (9)
N1	0.0122 (6)	0.0162 (7)	0.0139 (6)	0.0005 (5)	0.0033 (5)	−0.0014 (5)
N2	0.0167 (6)	0.0152 (7)	0.0141 (6)	0.0005 (5)	0.0051 (5)	−0.0017 (5)
N3	0.0210 (7)	0.0190 (7)	0.0146 (7)	0.0020 (6)	0.0077 (6)	0.0015 (5)
N4	0.0145 (6)	0.0208 (7)	0.0171 (7)	0.0022 (6)	0.0063 (5)	0.0058 (6)
O1	0.0178 (5)	0.0212 (6)	0.0125 (5)	0.0049 (5)	0.0051 (4)	−0.0003 (5)
O2	0.0432 (10)	0.0242 (8)	0.0200 (8)	0.0074 (7)	−0.0048 (7)	−0.0029 (6)
O2B	0.0193 (8)	0.0277 (9)	0.0151 (8)	0.0027 (7)	0.0079 (6)	0.0033 (7)
O3	0.0151 (7)	0.0379 (10)	0.0363 (10)	0.0050 (7)	0.0096 (7)	0.0192 (8)
O3B	0.018 (4)	0.024 (5)	0.038 (6)	−0.002 (4)	0.019 (4)	0.001 (4)
O4	0.0495 (11)	0.0335 (10)	0.0188 (8)	0.0011 (8)	0.0122 (7)	−0.0041 (7)
O4B	0.020 (6)	0.032 (8)	0.014 (6)	0.014 (5)	0.008 (5)	0.005 (5)
Pd1	0.01173 (5)	0.01425 (6)	0.01174 (6)	0.00192 (5)	0.00432 (4)	−0.00027 (4)
Pd2	0.01268 (6)	0.02854 (7)	0.01189 (6)	0.00021 (5)	0.00602 (4)	0.00231 (5)
Cl1	0.02027 (19)	0.0316 (2)	0.0220 (2)	0.01215 (18)	0.01026 (16)	0.00532 (18)
Cl2	0.01481 (18)	0.0442 (3)	0.0303 (2)	0.00095 (19)	0.01044 (17)	0.0005 (2)
Cl3	0.0303 (2)	0.0669 (4)	0.0157 (2)	−0.0060 (3)	0.01236 (19)	−0.0033 (2)

Geometric parameters (Å, º)

C1—N1	1.496 (2)	C41—H41	0.9500
C1—C2	1.518 (2)	C42—C43	1.398 (3)
C1—H1A	0.9900	C42—C46B	1.46 (3)
C1—H1B	0.9900	C42—C46	1.562 (10)
C2—N2	1.503 (2)	C43—C44	1.395 (3)
C2—H2A	0.9900	C43—H43	0.9500
C2—H2B	0.9900	C44—C45	1.410 (3)
C3—N1	1.488 (2)	C44—C50	1.538 (3)
C3—H3A	0.9800	C45—O4	1.382 (2)
C3—H3B	0.9800	C45—H45	0.9500
C3—H3C	0.9800	C46—C47	1.518 (7)
C4—N2	1.498 (2)	C46—C48	1.530 (7)
C4—H4A	0.9800	C46—C49	1.533 (7)
C4—H4B	0.9800	C47—H47A	0.9800
C4—H4C	0.9800	C47—H47B	0.9800
C5—C6	1.505 (2)	C47—H47C	0.9800
C5—N1	1.509 (2)	C48—H48A	0.9800
C5—H5A	0.9900	C48—H48B	0.9800
C5—H5B	0.9900	C48—H48C	0.9800
C6—C7	1.393 (2)	C49—H49A	0.9800
C6—C11	1.417 (2)	C49—H49B	0.9800
C7—C8	1.399 (3)	C49—H49C	0.9800
C7—H7	0.9500	C46B—C47B	1.519 (16)
C8—C9	1.396 (3)	C46B—C49B	1.531 (16)
C8—C12	1.534 (3)	C46B—C48B	1.534 (15)
C9—C10	1.399 (2)	C47B—H47D	0.9800
C9—H9	0.9500	C47B—H47E	0.9800
C10—C11	1.419 (2)	C47B—H47F	0.9800
C10—C16	1.542 (2)	C48B—H48D	0.9800
C11—O1	1.346 (2)	C48B—H48E	0.9800
C12—C14	1.526 (3)	C48B—H48F	0.9800
C12—C15	1.531 (3)	C49B—H49D	0.9800
C12—C13	1.538 (3)	C49B—H49E	0.9800
C13—H13A	0.9800	C49B—H49F	0.9800
C13—H13B	0.9800	C50—C51	1.535 (3)
C13—H13C	0.9800	C50—C52	1.538 (3)
C14—H14A	0.9800	C50—C53	1.540 (3)
C14—H14B	0.9800	C51—H51A	0.9800
C14—H14C	0.9800	C51—H51B	0.9800
C15—H15A	0.9800	C51—H51C	0.9800
C15—H15B	0.9800	C52—H52A	0.9800
C15—H15C	0.9800	C52—H52B	0.9800
C16—C19	1.535 (3)	C52—H52C	0.9800
C16—C18	1.539 (3)	C53—H53A	0.9800
C16—C17	1.542 (3)	C53—H53B	0.9800
C17—H17A	0.9800	C53—H53C	0.9800
C17—H17B	0.9800	C54—C55	1.507 (2)
C17—H17C	0.9800	C54—N4	1.516 (2)
C18—H18A	0.9800	C54—H54A	0.9900
C18—H18B	0.9800	C54—H54B	0.9900
C18—H18C	0.9800	C55—C56	1.394 (2)
C19—H19A	0.9800	C55—C60	1.402 (2)
C19—H19B	0.9800	C56—O3B	1.377 (9)
C19—H19C	0.9800	C56—C57	1.394 (3)
C20—C21	1.509 (3)	C56—H56	0.9500
C20—N2	1.511 (2)	C57—C58	1.396 (3)
C20—H20A	0.9900	C57—C61	1.536 (3)
C20—H20B	0.9900	C58—C59	1.392 (3)
C21—C22	1.396 (3)	C58—H58	0.9500
C21—C26	1.404 (2)	C59—C60	1.408 (3)
C22—O2B	1.350 (10)	C59—C65	1.535 (3)
C22—C23	1.392 (3)	C60—O3	1.369 (2)
C22—H22	0.9500	C60—H60	0.9500
C23—C24	1.397 (3)	C61—C62	1.531 (3)
C23—C27	1.537 (3)	C61—C64	1.542 (3)
C24—C25	1.396 (3)	C61—C63	1.542 (3)
C24—H24	0.9500	C62—H62A	0.9800
C25—C26	1.406 (3)	C62—H62B	0.9800
C25—C31	1.543 (3)	C62—H62C	0.9800
C26—O2	1.383 (2)	C63—H63A	0.9800
C26—H26	0.9500	C63—H63B	0.9800
C27—C28	1.532 (3)	C63—H63C	0.9800
C27—C30	1.533 (3)	C64—H64A	0.9800
C27—C29	1.539 (3)	C64—H64B	0.9800
C28—H28A	0.9800	C64—H64C	0.9800
C28—H28B	0.9800	C65—C67	1.536 (3)
C28—H28C	0.9800	C65—C66	1.540 (4)
C29—H29A	0.9800	C65—C68	1.545 (3)
C29—H29B	0.9800	C66—H66A	0.9800
C29—H29C	0.9800	C66—H66B	0.9800
C30—H30A	0.9800	C66—H66C	0.9800
C30—H30B	0.9800	C67—H67A	0.9800
C30—H30C	0.9800	C67—H67B	0.9800
C31—C33	1.532 (3)	C67—H67C	0.9800
C31—C34	1.535 (3)	C68—H68A	0.9800
C31—C32	1.537 (3)	C68—H68B	0.9800
C32—H32A	0.9800	C68—H68C	0.9800
C32—H32B	0.9800	O5—C69	1.403 (5)
C32—H32C	0.9800	O5—H5	0.8400
C33—H33A	0.9800	C69—H69A	0.9800
C33—H33B	0.9800	C69—H69B	0.9800
C33—H33C	0.9800	C69—H69C	0.9800
C34—H34A	0.9800	O5B—H5C	0.84 (2)
C34—H34B	0.9800	O5B—H5D	0.86 (2)
C34—H34C	0.9800	O6—C70	1.405 (5)
C35—C36	1.503 (3)	O6—H6	0.8400
C35—N3	1.503 (2)	C70—H70A	0.9800
C35—H35A	0.9900	C70—H70B	0.9800
C35—H35B	0.9900	C70—H70C	0.9800
C36—N4	1.498 (2)	O6B—C70B	1.373 (18)
C36—H36A	0.9900	O6B—H6B	0.8400
C36—H36B	0.9900	C70B—H70D	0.9800
C37—N3	1.490 (2)	C70B—H70E	0.9800
C37—H37A	0.9800	C70B—H70F	0.9800
C37—H37B	0.9800	N1—Pd1	2.0369 (14)
C37—H37C	0.9800	N2—Pd1	2.0739 (14)
C38—N4	1.496 (2)	N3—Pd2	2.0699 (15)
C38—H38A	0.9800	N4—Pd2	2.0735 (14)
C38—H38B	0.9800	O1—Pd1	2.0085 (12)
C38—H38C	0.9800	O2—H2	0.8400
C39—C40	1.511 (3)	O2B—H2C	0.8400
C39—N3	1.515 (2)	O3—H3	0.8400
C39—H39A	0.9900	O3B—H3D	0.8400
C39—H39B	0.9900	O4—H4	0.8400
C40—C41	1.396 (3)	O4B—H4D	0.8400
C40—C45	1.403 (3)	Pd1—Cl1	2.3186 (4)
C41—C42	1.393 (3)	Pd2—Cl3	2.3102 (5)
C41—O4B	1.410 (9)	Pd2—Cl2	2.3216 (5)
N1—C1—C2	109.06 (14)	C45—C44—C50	121.37 (18)
N1—C1—H1A	109.9	O4—C45—C40	122.71 (19)
C2—C1—H1A	109.9	O4—C45—C44	116.44 (18)
N1—C1—H1B	109.9	C40—C45—C44	120.79 (18)
C2—C1—H1B	109.9	C40—C45—H45	119.6
H1A—C1—H1B	108.3	C44—C45—H45	119.6
N2—C2—C1	108.93 (14)	C47—C46—C48	109.4 (6)
N2—C2—H2A	109.9	C47—C46—C49	109.2 (6)
C1—C2—H2A	109.9	C48—C46—C49	107.5 (5)
N2—C2—H2B	109.9	C47—C46—C42	109.8 (6)
C1—C2—H2B	109.9	C48—C46—C42	111.7 (5)
H2A—C2—H2B	108.3	C49—C46—C42	109.2 (5)
N1—C3—H3A	109.5	C46—C47—H47A	109.5
N1—C3—H3B	109.5	C46—C47—H47B	109.5
H3A—C3—H3B	109.5	H47A—C47—H47B	109.5
N1—C3—H3C	109.5	C46—C47—H47C	109.5
H3A—C3—H3C	109.5	H47A—C47—H47C	109.5
H3B—C3—H3C	109.5	H47B—C47—H47C	109.5
N2—C4—H4A	109.5	C46—C48—H48A	109.5
N2—C4—H4B	109.5	C46—C48—H48B	109.5
H4A—C4—H4B	109.5	H48A—C48—H48B	109.5
N2—C4—H4C	109.5	C46—C48—H48C	109.5
H4A—C4—H4C	109.5	H48A—C48—H48C	109.5
H4B—C4—H4C	109.5	H48B—C48—H48C	109.5
C6—C5—N1	111.11 (14)	C46—C49—H49A	109.5
C6—C5—H5A	109.4	C46—C49—H49B	109.5
N1—C5—H5A	109.4	H49A—C49—H49B	109.5
C6—C5—H5B	109.4	C46—C49—H49C	109.5
N1—C5—H5B	109.4	H49A—C49—H49C	109.5
H5A—C5—H5B	108.0	H49B—C49—H49C	109.5
C7—C6—C11	120.74 (16)	C42—C46B—C47B	112.4 (14)
C7—C6—C5	119.95 (15)	C42—C46B—C49B	109.6 (13)
C11—C6—C5	119.27 (15)	C47B—C46B—C49B	109.3 (15)
C6—C7—C8	121.32 (17)	C42—C46B—C48B	111.8 (14)
C6—C7—H7	119.3	C47B—C46B—C48B	104.6 (14)
C8—C7—H7	119.3	C49B—C46B—C48B	109.1 (14)
C9—C8—C7	117.04 (16)	C46B—C47B—H47D	109.5
C9—C8—C12	122.84 (17)	C46B—C47B—H47E	109.5
C7—C8—C12	120.11 (17)	H47D—C47B—H47E	109.5
C8—C9—C10	124.11 (17)	C46B—C47B—H47F	109.5
C8—C9—H9	117.9	H47D—C47B—H47F	109.5
C10—C9—H9	117.9	H47E—C47B—H47F	109.5
C9—C10—C11	117.78 (16)	C46B—C48B—H48D	109.5
C9—C10—C16	120.90 (16)	C46B—C48B—H48E	109.5
C11—C10—C16	121.31 (15)	H48D—C48B—H48E	109.5
O1—C11—C6	120.19 (15)	C46B—C48B—H48F	109.5
O1—C11—C10	120.80 (15)	H48D—C48B—H48F	109.5
C6—C11—C10	119.00 (16)	H48E—C48B—H48F	109.5
C14—C12—C15	109.5 (2)	C46B—C49B—H49D	109.5
C14—C12—C8	109.80 (18)	C46B—C49B—H49E	109.5
C15—C12—C8	112.38 (18)	H49D—C49B—H49E	109.5
C14—C12—C13	108.8 (2)	C46B—C49B—H49F	109.5
C15—C12—C13	106.8 (2)	H49D—C49B—H49F	109.5
C8—C12—C13	109.47 (18)	H49E—C49B—H49F	109.5
C12—C13—H13A	109.5	C51—C50—C44	110.77 (17)
C12—C13—H13B	109.5	C51—C50—C52	106.7 (2)
H13A—C13—H13B	109.5	C44—C50—C52	111.90 (19)
C12—C13—H13C	109.5	C51—C50—C53	110.3 (2)
H13A—C13—H13C	109.5	C44—C50—C53	109.49 (18)
H13B—C13—H13C	109.5	C52—C50—C53	107.55 (19)
C12—C14—H14A	109.5	C50—C51—H51A	109.5
C12—C14—H14B	109.5	C50—C51—H51B	109.5
H14A—C14—H14B	109.5	H51A—C51—H51B	109.5
C12—C14—H14C	109.5	C50—C51—H51C	109.5
H14A—C14—H14C	109.5	H51A—C51—H51C	109.5
H14B—C14—H14C	109.5	H51B—C51—H51C	109.5
C12—C15—H15A	109.5	C50—C52—H52A	109.5
C12—C15—H15B	109.5	C50—C52—H52B	109.5
H15A—C15—H15B	109.5	H52A—C52—H52B	109.5
C12—C15—H15C	109.5	C50—C52—H52C	109.5
H15A—C15—H15C	109.5	H52A—C52—H52C	109.5
H15B—C15—H15C	109.5	H52B—C52—H52C	109.5
C19—C16—C18	107.87 (15)	C50—C53—H53A	109.5
C19—C16—C17	107.20 (16)	C50—C53—H53B	109.5
C18—C16—C17	109.50 (16)	H53A—C53—H53B	109.5
C19—C16—C10	112.13 (16)	C50—C53—H53C	109.5
C18—C16—C10	110.82 (15)	H53A—C53—H53C	109.5
C17—C16—C10	109.22 (14)	H53B—C53—H53C	109.5
C16—C17—H17A	109.5	C55—C54—N4	113.32 (14)
C16—C17—H17B	109.5	C55—C54—H54A	108.9
H17A—C17—H17B	109.5	N4—C54—H54A	108.9
C16—C17—H17C	109.5	C55—C54—H54B	108.9
H17A—C17—H17C	109.5	N4—C54—H54B	108.9
H17B—C17—H17C	109.5	H54A—C54—H54B	107.7
C16—C18—H18A	109.5	C56—C55—C60	118.83 (17)
C16—C18—H18B	109.5	C56—C55—C54	119.49 (16)
H18A—C18—H18B	109.5	C60—C55—C54	121.60 (16)
C16—C18—H18C	109.5	O3B—C56—C55	125.6 (4)
H18A—C18—H18C	109.5	O3B—C56—C57	112.4 (4)
H18B—C18—H18C	109.5	C55—C56—C57	121.86 (17)
C16—C19—H19A	109.5	C55—C56—H56	119.1
C16—C19—H19B	109.5	C57—C56—H56	119.1
H19A—C19—H19B	109.5	C56—C57—C58	117.18 (17)
C16—C19—H19C	109.5	C56—C57—C61	119.84 (17)
H19A—C19—H19C	109.5	C58—C57—C61	122.97 (17)
H19B—C19—H19C	109.5	C59—C58—C57	123.78 (18)
C21—C20—N2	114.07 (14)	C59—C58—H58	118.1
C21—C20—H20A	108.7	C57—C58—H58	118.1
N2—C20—H20A	108.7	C58—C59—C60	116.87 (17)
C21—C20—H20B	108.7	C58—C59—C65	121.44 (18)
N2—C20—H20B	108.7	C60—C59—C65	121.68 (17)
H20A—C20—H20B	107.6	O3—C60—C55	123.03 (17)
C22—C21—C26	119.40 (17)	O3—C60—C59	115.54 (17)
C22—C21—C20	119.85 (16)	C55—C60—C59	121.40 (17)
C26—C21—C20	120.75 (16)	C55—C60—H60	119.3
O2B—C22—C23	109.9 (6)	C59—C60—H60	119.3
O2B—C22—C21	128.2 (6)	C62—C61—C57	112.43 (18)
C23—C22—C21	121.46 (17)	C62—C61—C64	107.75 (17)
C23—C22—H22	119.3	C57—C61—C64	108.80 (16)
C21—C22—H22	119.3	C62—C61—C63	108.59 (17)
C22—C23—C24	117.35 (17)	C57—C61—C63	109.50 (16)
C22—C23—C27	120.83 (17)	C64—C61—C63	109.73 (18)
C24—C23—C27	121.78 (18)	C61—C62—H62A	109.5
C25—C24—C23	123.80 (18)	C61—C62—H62B	109.5
C25—C24—H24	118.1	H62A—C62—H62B	109.5
C23—C24—H24	118.1	C61—C62—H62C	109.5
C24—C25—C26	116.97 (17)	H62A—C62—H62C	109.5
C24—C25—C31	121.19 (18)	H62B—C62—H62C	109.5
C26—C25—C31	121.79 (17)	C61—C63—H63A	109.5
O2—C26—C21	119.66 (17)	C61—C63—H63B	109.5
O2—C26—C25	119.30 (17)	H63A—C63—H63B	109.5
C21—C26—C25	120.98 (17)	C61—C63—H63C	109.5
C21—C26—H26	119.5	H63A—C63—H63C	109.5
C25—C26—H26	119.5	H63B—C63—H63C	109.5
C28—C27—C30	107.6 (2)	C61—C64—H64A	109.5
C28—C27—C23	111.93 (18)	C61—C64—H64B	109.5
C30—C27—C23	108.53 (17)	H64A—C64—H64B	109.5
C28—C27—C29	110.0 (2)	C61—C64—H64C	109.5
C30—C27—C29	108.28 (19)	H64A—C64—H64C	109.5
C23—C27—C29	110.36 (18)	H64B—C64—H64C	109.5
C27—C28—H28A	109.5	C59—C65—C67	109.51 (19)
C27—C28—H28B	109.5	C59—C65—C66	110.16 (18)
H28A—C28—H28B	109.5	C67—C65—C66	111.9 (2)
C27—C28—H28C	109.5	C59—C65—C68	112.03 (19)
H28A—C28—H28C	109.5	C67—C65—C68	106.3 (2)
H28B—C28—H28C	109.5	C66—C65—C68	106.9 (2)
C27—C29—H29A	109.5	C65—C66—H66A	109.5
C27—C29—H29B	109.5	C65—C66—H66B	109.5
H29A—C29—H29B	109.5	H66A—C66—H66B	109.5
C27—C29—H29C	109.5	C65—C66—H66C	109.5
H29A—C29—H29C	109.5	H66A—C66—H66C	109.5
H29B—C29—H29C	109.5	H66B—C66—H66C	109.5
C27—C30—H30A	109.5	C65—C67—H67A	109.5
C27—C30—H30B	109.5	C65—C67—H67B	109.5
H30A—C30—H30B	109.5	H67A—C67—H67B	109.5
C27—C30—H30C	109.5	C65—C67—H67C	109.5
H30A—C30—H30C	109.5	H67A—C67—H67C	109.5
H30B—C30—H30C	109.5	H67B—C67—H67C	109.5
C33—C31—C34	107.34 (18)	C65—C68—H68A	109.5
C33—C31—C32	109.30 (18)	C65—C68—H68B	109.5
C34—C31—C32	108.01 (17)	H68A—C68—H68B	109.5
C33—C31—C25	111.72 (16)	C65—C68—H68C	109.5
C34—C31—C25	112.10 (17)	H68A—C68—H68C	109.5
C32—C31—C25	108.29 (16)	H68B—C68—H68C	109.5
C31—C32—H32A	109.5	C69—O5—H5	109.5
C31—C32—H32B	109.5	O5—C69—H69A	109.5
H32A—C32—H32B	109.5	O5—C69—H69B	109.5
C31—C32—H32C	109.5	H69A—C69—H69B	109.5
H32A—C32—H32C	109.5	O5—C69—H69C	109.5
H32B—C32—H32C	109.5	H69A—C69—H69C	109.5
C31—C33—H33A	109.5	H69B—C69—H69C	109.5
C31—C33—H33B	109.5	H5C—O5B—H5D	107 (3)
H33A—C33—H33B	109.5	C70—O6—H6	109.5
C31—C33—H33C	109.5	O6—C70—H70A	109.5
H33A—C33—H33C	109.5	O6—C70—H70B	109.5
H33B—C33—H33C	109.5	H70A—C70—H70B	109.5
C31—C34—H34A	109.5	O6—C70—H70C	109.5
C31—C34—H34B	109.5	H70A—C70—H70C	109.5
H34A—C34—H34B	109.5	H70B—C70—H70C	109.5
C31—C34—H34C	109.5	C70B—O6B—H6B	109.5
H34A—C34—H34C	109.5	O6B—C70B—H70D	109.5
H34B—C34—H34C	109.5	O6B—C70B—H70E	109.5
C36—C35—N3	109.55 (15)	H70D—C70B—H70E	109.5
C36—C35—H35A	109.8	O6B—C70B—H70F	109.5
N3—C35—H35A	109.8	H70D—C70B—H70F	109.5
C36—C35—H35B	109.8	H70E—C70B—H70F	109.5
N3—C35—H35B	109.8	C3—N1—C1	110.84 (14)
H35A—C35—H35B	108.2	C3—N1—C5	110.38 (13)
N4—C36—C35	110.01 (14)	C1—N1—C5	109.91 (13)
N4—C36—H36A	109.7	C3—N1—Pd1	111.59 (10)
C35—C36—H36A	109.7	C1—N1—Pd1	104.61 (10)
N4—C36—H36B	109.7	C5—N1—Pd1	109.36 (10)
C35—C36—H36B	109.7	C4—N2—C2	108.85 (14)
H36A—C36—H36B	108.2	C4—N2—C20	106.92 (14)
N3—C37—H37A	109.5	C2—N2—C20	111.12 (13)
N3—C37—H37B	109.5	C4—N2—Pd1	105.61 (11)
H37A—C37—H37B	109.5	C2—N2—Pd1	107.53 (10)
N3—C37—H37C	109.5	C20—N2—Pd1	116.48 (10)
H37A—C37—H37C	109.5	C37—N3—C35	110.58 (15)
H37B—C37—H37C	109.5	C37—N3—C39	107.41 (14)
N4—C38—H38A	109.5	C35—N3—C39	110.12 (14)
N4—C38—H38B	109.5	C37—N3—Pd2	106.95 (11)
H38A—C38—H38B	109.5	C35—N3—Pd2	106.93 (11)
N4—C38—H38C	109.5	C39—N3—Pd2	114.81 (11)
H38A—C38—H38C	109.5	C38—N4—C36	110.64 (15)
H38B—C38—H38C	109.5	C38—N4—C54	107.70 (14)
C40—C39—N3	112.59 (14)	C36—N4—C54	110.40 (14)
C40—C39—H39A	109.1	C38—N4—Pd2	107.06 (11)
N3—C39—H39A	109.1	C36—N4—Pd2	106.65 (11)
C40—C39—H39B	109.1	C54—N4—Pd2	114.35 (11)
N3—C39—H39B	109.1	C11—O1—Pd1	121.65 (10)
H39A—C39—H39B	107.8	C26—O2—H2	109.5
C41—C40—C45	119.42 (18)	C22—O2B—H2C	109.5
C41—C40—C39	119.16 (17)	C60—O3—H3	109.5
C45—C40—C39	121.31 (18)	C56—O3B—H3D	109.5
C42—C41—C40	121.61 (18)	C45—O4—H4	109.5
C42—C41—O4B	110.6 (5)	C41—O4B—H4D	109.5
C40—C41—O4B	127.5 (5)	O1—Pd1—N1	93.18 (5)
C42—C41—H41	119.2	O1—Pd1—N2	170.29 (5)
C40—C41—H41	119.2	N1—Pd1—N2	85.84 (6)
C41—C42—C43	117.19 (18)	O1—Pd1—Cl1	88.04 (4)
C41—C42—C46B	122.6 (7)	N1—Pd1—Cl1	178.20 (4)
C43—C42—C46B	120.2 (7)	N2—Pd1—Cl1	93.17 (4)
C41—C42—C46	120.0 (3)	N3—Pd2—N4	85.44 (6)
C43—C42—C46	122.7 (3)	N3—Pd2—Cl3	175.32 (5)
C44—C43—C42	123.79 (18)	N4—Pd2—Cl3	91.99 (4)
C44—C43—H43	118.1	N3—Pd2—Cl2	93.02 (4)
C42—C43—H43	118.1	N4—Pd2—Cl2	175.77 (4)
C43—C44—C45	117.08 (18)	Cl3—Pd2—Cl2	89.801 (19)
C43—C44—C50	121.56 (19)
N1—C1—C2—N2	53.29 (19)	C41—C40—C45—C44	4.1 (3)
N1—C5—C6—C7	118.98 (18)	C39—C40—C45—C44	−172.13 (17)
N1—C5—C6—C11	−58.7 (2)	C43—C44—C45—O4	−179.38 (17)
C11—C6—C7—C8	0.1 (3)	C50—C44—C45—O4	0.9 (3)
C5—C6—C7—C8	−177.60 (17)	C43—C44—C45—C40	−2.1 (3)
C6—C7—C8—C9	0.1 (3)	C50—C44—C45—C40	178.18 (17)
C6—C7—C8—C12	178.80 (18)	C41—C42—C46—C47	−50.7 (6)
C7—C8—C9—C10	0.3 (3)	C43—C42—C46—C47	132.9 (5)
C12—C8—C9—C10	−178.30 (18)	C41—C42—C46—C48	−172.2 (3)
C8—C9—C10—C11	−0.9 (3)	C43—C42—C46—C48	11.3 (6)
C8—C9—C10—C16	177.85 (17)	C41—C42—C46—C49	69.0 (5)
C7—C6—C11—O1	178.73 (16)	C43—C42—C46—C49	−107.5 (4)
C5—C6—C11—O1	−3.6 (2)	C41—C42—C46B—C47B	−14.7 (15)
C7—C6—C11—C10	−0.7 (3)	C43—C42—C46B—C47B	165.7 (10)
C5—C6—C11—C10	176.96 (16)	C41—C42—C46B—C49B	107.0 (11)
C9—C10—C11—O1	−178.33 (16)	C43—C42—C46B—C49B	−72.6 (12)
C16—C10—C11—O1	2.9 (3)	C41—C42—C46B—C48B	−131.9 (10)
C9—C10—C11—C6	1.1 (2)	C43—C42—C46B—C48B	48.5 (13)
C16—C10—C11—C6	−177.67 (16)	C43—C44—C50—C51	121.2 (2)
C9—C8—C12—C14	−118.9 (2)	C45—C44—C50—C51	−59.1 (3)
C7—C8—C12—C14	62.5 (3)	C43—C44—C50—C52	2.3 (3)
C9—C8—C12—C15	3.3 (3)	C45—C44—C50—C52	−178.01 (18)
C7—C8—C12—C15	−175.29 (19)	C43—C44—C50—C53	−116.9 (2)
C9—C8—C12—C13	121.8 (2)	C45—C44—C50—C53	62.8 (3)
C7—C8—C12—C13	−56.8 (3)	N4—C54—C55—C56	−76.3 (2)
C9—C10—C16—C19	−0.2 (2)	N4—C54—C55—C60	100.40 (19)
C11—C10—C16—C19	178.51 (17)	C60—C55—C56—O3B	172.4 (6)
C9—C10—C16—C18	120.36 (19)	C54—C55—C56—O3B	−10.7 (6)
C11—C10—C16—C18	−60.9 (2)	C60—C55—C56—C57	−3.1 (3)
C9—C10—C16—C17	−118.92 (18)	C54—C55—C56—C57	173.71 (17)
C11—C10—C16—C17	59.8 (2)	O3B—C56—C57—C58	−174.5 (5)
N2—C20—C21—C22	78.3 (2)	C55—C56—C57—C58	1.6 (3)
N2—C20—C21—C26	−102.40 (19)	O3B—C56—C57—C61	6.2 (5)
C26—C21—C22—O2B	−170.5 (8)	C55—C56—C57—C61	−177.76 (17)
C20—C21—C22—O2B	8.8 (9)	C56—C57—C58—C59	1.0 (3)
C26—C21—C22—C23	1.5 (3)	C61—C57—C58—C59	−179.65 (18)
C20—C21—C22—C23	−179.18 (16)	C57—C58—C59—C60	−1.9 (3)
O2B—C22—C23—C24	173.6 (7)	C57—C58—C59—C65	178.98 (19)
C21—C22—C23—C24	0.3 (3)	C56—C55—C60—O3	−179.92 (18)
O2B—C22—C23—C27	−8.7 (7)	C54—C55—C60—O3	3.3 (3)
C21—C22—C23—C27	177.93 (17)	C56—C55—C60—C59	2.1 (3)
C22—C23—C24—C25	−0.9 (3)	C54—C55—C60—C59	−174.65 (17)
C27—C23—C24—C25	−178.51 (17)	C58—C59—C60—O3	−177.80 (17)
C23—C24—C25—C26	−0.3 (3)	C65—C59—C60—O3	1.3 (3)
C23—C24—C25—C31	177.28 (17)	C58—C59—C60—C55	0.3 (3)
C22—C21—C26—O2	−179.78 (17)	C65—C59—C60—C55	179.41 (18)
C20—C21—C26—O2	0.9 (3)	C56—C57—C61—C62	−177.19 (17)
C22—C21—C26—C25	−2.7 (3)	C58—C57—C61—C62	3.5 (3)
C20—C21—C26—C25	177.94 (16)	C56—C57—C61—C64	63.5 (2)
C24—C25—C26—O2	179.19 (17)	C58—C57—C61—C64	−115.8 (2)
C31—C25—C26—O2	1.6 (3)	C56—C57—C61—C63	−56.4 (2)
C24—C25—C26—C21	2.1 (3)	C58—C57—C61—C63	124.3 (2)
C31—C25—C26—C21	−175.45 (16)	C58—C59—C65—C67	−118.5 (2)
C22—C23—C27—C28	164.4 (2)	C60—C59—C65—C67	62.4 (3)
C24—C23—C27—C28	−18.1 (3)	C58—C59—C65—C66	118.0 (2)
C22—C23—C27—C30	−77.0 (2)	C60—C59—C65—C66	−61.0 (3)
C24—C23—C27—C30	100.6 (2)	C58—C59—C65—C68	−0.8 (3)
C22—C23—C27—C29	41.6 (3)	C60—C59—C65—C68	−179.8 (2)
C24—C23—C27—C29	−140.9 (2)	C2—C1—N1—C3	72.40 (18)
C24—C25—C31—C33	122.7 (2)	C2—C1—N1—C5	−165.31 (14)
C26—C25—C31—C33	−59.8 (2)	C2—C1—N1—Pd1	−48.00 (16)
C24—C25—C31—C34	2.2 (3)	C6—C5—N1—C3	−54.56 (18)
C26—C25—C31—C34	179.64 (18)	C6—C5—N1—C1	−177.13 (14)
C24—C25—C31—C32	−116.9 (2)	C6—C5—N1—Pd1	68.57 (15)
C26—C25—C31—C32	60.6 (2)	C1—C2—N2—C4	83.83 (17)
N3—C35—C36—N4	−52.50 (19)	C1—C2—N2—C20	−158.69 (14)
N3—C39—C40—C41	−78.3 (2)	C1—C2—N2—Pd1	−30.14 (16)
N3—C39—C40—C45	98.0 (2)	C21—C20—N2—C4	175.21 (15)
C45—C40—C41—C42	−3.4 (3)	C21—C20—N2—C2	56.55 (19)
C39—C40—C41—C42	172.91 (17)	C21—C20—N2—Pd1	−67.03 (17)
C45—C40—C41—O4B	169.6 (7)	C36—C35—N3—C37	−77.92 (18)
C39—C40—C41—O4B	−14.1 (8)	C36—C35—N3—C39	163.52 (15)
C40—C41—C42—C43	0.7 (3)	C36—C35—N3—Pd2	38.17 (16)
O4B—C41—C42—C43	−173.4 (6)	C40—C39—N3—C37	−173.44 (16)
C40—C41—C42—C46B	−178.9 (7)	C40—C39—N3—C35	−53.0 (2)
O4B—C41—C42—C46B	7.0 (10)	C40—C39—N3—Pd2	67.78 (18)
C40—C41—C42—C46	−176.0 (3)	C35—C36—N4—C38	−77.38 (18)
C41—C42—C43—C44	1.4 (3)	C35—C36—N4—C54	163.50 (15)
C46B—C42—C43—C44	−178.9 (7)	C35—C36—N4—Pd2	38.72 (17)
C46—C42—C43—C44	178.0 (3)	C55—C54—N4—C38	−168.30 (15)
C42—C43—C44—C45	−0.8 (3)	C55—C54—N4—C36	−47.40 (19)
C42—C43—C44—C50	178.99 (17)	C55—C54—N4—Pd2	72.86 (16)
C41—C40—C45—O4	−178.74 (18)	C6—C11—O1—Pd1	44.6 (2)
C39—C40—C45—O4	5.0 (3)	C10—C11—O1—Pd1	−135.99 (14)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O5—H5···O1	0.84	1.95	2.787 (3)	171
C69—H69A···Cl1	0.98	2.90	3.642 (4)	134
C69—H69C···O3	0.98	2.57	3.267 (4)	128
O5B—H5C···O1	0.84 (2)	1.95 (3)	2.772 (6)	168 (12)
O6—H6···Cl2	0.84	2.90	3.592 (2)	141
O6—H6···Cl3	0.84	2.41	3.129 (2)	144
O6B—H6B···Cl2	0.84	2.45	3.242 (13)	157
O2—H2···O5^i	0.84	1.88	2.715 (3)	170
O2B—H2C···Cl1	0.84	2.06	2.858 (13)	157
O3—H3···Cl1	0.84	2.46	3.1764 (17)	144
O3B—H3D···Cl3	0.84	2.12	2.886 (10)	152
O4—H4···O6^ii	0.84	1.95	2.750 (3)	160
O4B—H4D···Cl2	0.84	2.05	2.726 (12)	137

Symmetry codes: (i) x, −y+3/2, z−1/2; (ii) x, −y+3/2, z+1/2.