An organometallic compound with Z′ = 4: {2-[2-(benzyl­idene­amino)phenyl]-1,2-bis­(methoxy­carbonyl)ethenyl-κ²C¹,N}iodo­(triphenyl­phosphine-κP)palladium(II)

The title compound, [Pd(C₁₉H₁₇NO₄)I(C₁₈H₁₅P)], crystallizes with four independent mol­ecules in the asymmetric unit. The main difference between the mol­ecules is the disposition of the PPh₃ ligand, for which in each mol­ecule one ring is perpendicular to the ligand plane, but may be directed in either direction away from the plane; of the four mol­ecules, two represent each possible direction. The independent mol­ecules are arranged to form a chain parallel to [101] with an approximate translation of (a+c)/4 between successive mol­ecules, excluding the PPh₃ rings. This leads to a systematic weakness of the reflections with h + l ≠ 4n.

S1. Comment

The title compound, (I), was synthesized during a study of aryl palladium complexes bearing functionalized susbtituents on the ortho-position. In these investigations, oxidative addition of Pd⁰ precursors to aryl halides yields organometallic compounds that are models of intermediates in palladium-catalysed organic syntheses (Vicente et al., 2005) and may lead to new coordination modes for the ligands. There are a large number of known palladium–diimine complexes; a search of the Cambridge Structural Database (CSD, Version?; Allen, 2002) revealed 106 hits for α-diimine complexes of palladium, e.g. de Pater et al. (2005). However, the double bond in the imine group of (I) does not form part of the heterocycle.

Compound (I) crystallizes solvent-free with four independent molecules in the asymmetric unit. Molecules 1 and 3 are shown in Figs. 1 and 2, respectively; a similar numbering scheme was used for all the molecules, replacing the first digit `1' in molecule 1 with the appropriate molecule number 2, 3 or 4. In all four molecules, the Pd atom shows the expected planar four-coordination, albeit with slight but significant deviations from planarity (r.m.s. deviations of the five atoms Pd, I, P, N and C from their least-squares plane are 0.01, 0.04, 0.05 and 0.08 Å, respectively, for molecules 1–4). The bond lengths at Pd are consistent over all four molecules (see below for one possible exception). The bite of the C,N-ligand is constant at ca 82° (important molecular dimensions are given in Table 1). The chelate rings display a configuration whereby the atoms Pdn, Cn01, Cn02 and Cn12 are coplanar (r.m.s. deviations ≤ 0.02 Å for all four molecules), and the other two atoms Nn and Cn11 are displaced from this plane to the same side. The double-bond positions Cn01═ Cn02 are unambiguously established by the bond lengths. The carboxylate groups are disposed such that the absolute torsion angles Cn02═ Cn01—Cn03═On01 lie in the range 9–17° and Cn01═Cn02—Cn04═On02 in the range 90–97°.

Despite the above-mentioned similarities, the molecules differ in one important respect, namely the disposition of the triphenylphosphine ligand. For each molecule, one phenyl ring of PPh₃ is approximately perpendicular to the coordination plane (cf. torsion angles I—Pd—P—C_ipso in Table 1; in each case, there is one ring with an absolute value ca 90°). However, in molecules 1 and 4, the ring at Cn31 points out of the coordination plane to the same side as ring Cn11, whereas in molecules 2 and 3 (Fig. 2), the ring at Cn51 points to the other side of the plane from Cn11, the same side as Cn21. The differing Pd—P bond lengths (slightly longer for molecules 2 and 3) and the markedly irregular Pd—P—C bond angles for molecules 1 and 4, with wide angles of ca 120° to Cn41 to avoid closer contact between the phenyl ring and the methoxycarbonyl group at Cn01, also reflect these differences. Even within this loose classification as two pairs of similar molecules, there are considerable differences in the I—Pd—P—C and Pd—P—C—C torsion angles for either given pair.

In the CSD (Version?), there are 25 examples of palladium complexes with a coordination sphere of C/N(chelating)/P/I. However, the bond lengths at Pd vary over a very wide range (e.g. Pd—N = 2.09–2.32 Å), making generalization difficult, and the iodo ligand may be trans to C or P. There are no examples with P trans to C for this ligand set; consistent with the great extent of P/C `transphobia' (Vicente et al., 1997, 2002, 2006), the P and C donors are mutually cis in (I) and in the other literature examples.

The molecular packing of (I) is noteworthy. The molecules are associated into chains parallel to [101] (Fig. 3), in which neighbouring molecules, except for the PPh₃ phenyl groups as noted above, adopt positions related by the non-crystallographic translation of (a + c)/4. This pseudosymmetry is responsible for the fact that reflections with h + l ≠ 4n are systematically weak. However, the seven non-classical (`weak') hydrogen-bonding interactions (Desiraju & Steiner, 1999; Table 2), of which five involve para-H atoms of the PPh₃ ligands, are not formed within the chains.

S2. Experimental

Under a dinitrogen atmosphere, dimethyl acetylenedicarboxylate (DMAD) (94 µl, 0.7 mmol) was added to a solution of trans-[(C₆H₄N═ CH₂Ph-2)I(PPh₃)₂Pd] (Vicente et al., 1999) (125 mg, 0.13 mmol) in degassed CH₂Cl₂ (5 ml), and the reaction mixture was stirred overnight (16 h). The solvent was removed and the residue was treated with diethyl ether (5 ml). The solid was collected by filtration, washed with diethyl ether (3 × 3 ml) and dried in air to yield complex (I) as a yellow powder (yield 80 mg, 73%). Single crystals were obtained by slow diffusion of Et₂O into a solution of complex (I) in CDCl₃. Spectroscopic analysis: IR (Nujol, ν, cm⁻¹): 1726(CO); ¹H NMR (300 MHz, CDCl₃, δ, p.p.m.): 8.70 (d, ³J_H,H = 7 Hz, 2H), 8.40 (d, ¹J_H,H = 13.5 Hz, 1H), 7.68–7.33 (several m, 22H, 4Ph + 2H_arom), 3.69 (s, 3H, OMe), 3.06 (s, 3H, OMe); ³¹P{¹H} NMR (121 MHz, CDCl₃, δ, p.p.m.): 31.44 (PPh₃). Analysis, calculated for C₃₇H₃₁INO₄PPd: C 54.33, H 3.82, N 1.71%; found: C 54.53, H 3.86, N 1.67%.

S3. Refinement

Because of the large number of parameters, full-matrix refinement was not possible and the refinement was therefore split into two blocks consisting of molecules 1 and 2, and molecules 3 and 4, respectively. Methyl H atoms were identified in difference syntheses, idealized and refined as rigid groups allowed to rotate but not tip. Other H atoms were included using a riding model. C—H bond lengths were fixed at 0.98 (methyl) or 0.95 Å (sp²-C), and methyl H—C—H angles were fixed at 109.5°. U_iso(H) values were fixed at 1.2 times U_eq of the parent atom. The maximum residual electron density of 1.3 e Å⁻³ is associated with the methoxy group at C401, and may indicate slight disorder of this group. The next five difference peaks (down to 0.8 e Å⁻³) all lie close to Pd or I atoms.

Computing details

Data collection: SMART (Bruker, 1998); cell refinement: SAINT (Bruker, 1998); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: XP (Siemens, 1994); software used to prepare material for publication: SHELXL97.

Figures

	Fig. 1. The first independent molecule of compound (I), showing the atom-numbering scheme. Displacement ellipsoids are drawn at the 30% probability level and H atoms are shown as small spheres of arbitrary radii.
	Fig. 2. The third independent molecule of compound (I), showing the atom-numbering scheme. Displacement ellipsoids are drawn at the 30% probability level and H atoms are shown as small spheres of arbitrary radii.
	Fig. 3. The four independent molecules of (I) in the unit cell, running in order from molecule 1 (bottom right) to molecule 4 (top left). H atoms have been omitted.

{2-[2-(benzylideneamino)phenyl]-1,2-bis(methoxycarbonyl)ethenyl- κ²C¹,N}iodo(triphenylphosphine-κP)palladium(II)

Crystal data

[Pd(C19H17NO4)I(C18H15P)]	F(000) = 6496
Mr = 817.90	Dx = 1.611 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 7465 reflections
a = 16.6938 (11) Å	θ = 2.2–30.4°
b = 22.1074 (15) Å	µ = 1.55 mm^−1
c = 36.666 (3) Å	T = 133 K
β = 94.460 (4)°	Prism, yellow
V = 13490.8 (17) Å^3	0.38 × 0.22 × 0.20 mm
Z = 16

Data collection

Bruker SMART 1000 CCD area-detector diffractometer	39449 independent reflections
Radiation source: fine-focus sealed tube	27970 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.050
Detector resolution: 8.192 pixels mm^-1	θmax = 30.0°, θmin = 1.1°
ω and ϕ scans	h = −23→23
Absorption correction: multi-scan (SADABS; Bruker, 1998)	k = −31→31
Tmin = 0.653, Tmax = 0.733	l = −51→51
261441 measured reflections

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: blocked	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.030	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.070	H-atom parameters constrained
S = 0.95	w = 1/[σ^2(Fo^2) + (0.033P)^2] where P = (Fo^2 + 2Fc^2)/3
39449 reflections	(Δ/σ)max = 0.006
1629 parameters	Δρmax = 1.26 e Å^−3
0 restraints	Δρmin = −0.90 e Å^−3

Special details

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.

Least-squares planes (x,y,z in crystal coordinates) and deviations from them (* indicates atom used to define plane)

14.7418 (0.0033) x − 5.0256 (0.0092) y + 12.4878 (0.0147) z = 21.5065 (0.0130)

* 0.1632 (0.0006) Pd1 * 0.0094 (0.0007) I1 * −0.0905 (0.0007) P1 * −0.1009 (0.0009) N1 * 0.0188 (0.0010) C101

Rms deviation of fitted atoms = 0.0954

15.0095 (0.0033) x − 1.7365 (0.0096) y + 13.1780 (0.0148) z = 16.5883 (0.0097)

Angle to previous plane (with approximate e.s.d.) = 8.66 (0.05)

* 0.0586 (0.0006) Pd2 * −0.0316 (0.0008) I2 * 0.0045 (0.0007) P2 * 0.0110 (0.0009) N2 * −0.0425 (0.0011) C201

Rms deviation of fitted atoms = 0.0357

14.7183 (0.0032) x − 3.9781 (0.0094) y + 13.4320 (0.0140) z = 8.6350 (0.0071)

Angle to previous plane (with approximate e.s.d.) = 5.91 (0.05)

* 0.0976 (0.0006) Pd3 * −0.0088 (0.0007) I3 * −0.0400 (0.0007) P3 * −0.0422 (0.0009) N3 * −0.0066 (0.0010) C301

Rms deviation of fitted atoms = 0.0510

14.9765 (0.0034) x − 3.9957 (0.0092) y + 12.1773 (0.0159) z = 1.8093 (0.0043)

Angle to previous plane (with approximate e.s.d.) = 2.09 (0.05)

* 0.1503 (0.0007) Pd4 * −0.0036 (0.0008) I4 * −0.0687 (0.0007) P4 * −0.0749 (0.0009) N4 * −0.0031 (0.0011) C401

Rms deviation of fitted atoms = 0.0812

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 (Ų)

	x	y	z	Uiso*/Ueq
Pd1	0.796745 (10)	0.375719 (7)	0.945921 (5)	0.01348 (3)
I1	0.843117 (10)	0.373141 (7)	0.877823 (4)	0.02187 (3)
P1	0.74891 (3)	0.28041 (3)	0.943714 (17)	0.01581 (12)
N1	0.81094 (11)	0.46893 (8)	0.94552 (5)	0.0162 (4)
O101	0.75687 (10)	0.37302 (8)	1.05905 (5)	0.0256 (4)
O102	0.59533 (10)	0.43949 (8)	1.03806 (5)	0.0293 (4)
O103	0.85616 (9)	0.33959 (7)	1.02611 (4)	0.0215 (4)
O104	0.70211 (10)	0.50135 (8)	1.04600 (5)	0.0261 (4)
C101	0.75195 (13)	0.39345 (10)	0.99438 (6)	0.0161 (4)
C102	0.69726 (13)	0.43760 (10)	0.99500 (6)	0.0165 (5)
C103	0.78569 (14)	0.36773 (10)	1.02993 (7)	0.0182 (5)
C104	0.65883 (14)	0.45703 (10)	1.02895 (6)	0.0191 (5)
C105	0.89563 (15)	0.31522 (12)	1.05950 (7)	0.0310 (6)
H10A	0.9012	0.3471	1.0781	0.037*
H10B	0.9490	0.3001	1.0546	0.037*
H10C	0.8634	0.2820	1.0683	0.037*
C106	0.67101 (18)	0.52434 (14)	1.07891 (8)	0.0467 (8)
H10D	0.6165	0.5399	1.0732	0.056*
H10E	0.7057	0.5571	1.0889	0.056*
H10F	0.6697	0.4917	1.0969	0.056*
C111	0.73098 (13)	0.49189 (9)	0.93840 (6)	0.0165 (5)
C112	0.67252 (13)	0.47421 (9)	0.96204 (6)	0.0162 (5)
C113	0.59354 (13)	0.49370 (10)	0.95415 (7)	0.0204 (5)
H113	0.5537	0.4836	0.9703	0.024*
C114	0.57254 (14)	0.52776 (11)	0.92295 (7)	0.0247 (5)
H114	0.5184	0.5402	0.9176	0.030*
C115	0.63086 (15)	0.54342 (11)	0.89975 (7)	0.0248 (5)
H115	0.6161	0.5661	0.8783	0.030*
C116	0.71021 (14)	0.52656 (10)	0.90740 (7)	0.0218 (5)
H116	0.7500	0.5385	0.8917	0.026*
C120	0.87250 (13)	0.50353 (10)	0.94601 (6)	0.0191 (5)
H120	0.8638	0.5455	0.9419	0.023*
C121	0.95556 (13)	0.48246 (10)	0.95249 (6)	0.0187 (5)
C122	0.97554 (14)	0.42587 (10)	0.96752 (7)	0.0218 (5)
H122	0.9345	0.3993	0.9743	0.026*
C123	1.05532 (14)	0.40861 (11)	0.97247 (7)	0.0266 (6)
H123	1.0688	0.3701	0.9827	0.032*
C124	1.11571 (14)	0.44686 (12)	0.96271 (7)	0.0271 (6)
H124	1.1702	0.4344	0.9660	0.033*
C125	1.09680 (14)	0.50327 (12)	0.94813 (7)	0.0268 (6)
H125	1.1382	0.5297	0.9416	0.032*
C126	1.01656 (14)	0.52107 (10)	0.94314 (7)	0.0223 (5)
H126	1.0034	0.5599	0.9333	0.027*
C131	0.64508 (14)	0.28215 (11)	0.92515 (7)	0.0233 (5)
C132	0.59983 (16)	0.22845 (14)	0.92396 (8)	0.0370 (7)
H132	0.6230	0.1921	0.9337	0.044*
C133	0.52255 (19)	0.22875 (18)	0.90875 (9)	0.0545 (10)
H133	0.4923	0.1923	0.9078	0.065*
C134	0.48798 (17)	0.28125 (19)	0.89481 (9)	0.0549 (10)
H134	0.4345	0.2807	0.8839	0.066*
C135	0.53073 (17)	0.33442 (17)	0.89663 (8)	0.0459 (8)
H135	0.5063	0.3707	0.8875	0.055*
C136	0.61026 (15)	0.33520 (13)	0.91189 (7)	0.0293 (6)
H136	0.6400	0.3719	0.9131	0.035*
C141	0.74156 (13)	0.23749 (10)	0.98569 (6)	0.0174 (5)
C142	0.78883 (15)	0.18728 (10)	0.99548 (7)	0.0232 (5)
H142	0.8275	0.1735	0.9797	0.028*
C143	0.77989 (16)	0.15708 (11)	1.02820 (7)	0.0274 (6)
H143	0.8127	0.1231	1.0347	0.033*
C144	0.72385 (15)	0.17622 (11)	1.05120 (7)	0.0270 (6)
H144	0.7181	0.1554	1.0735	0.032*
C145	0.67580 (15)	0.22559 (11)	1.04203 (7)	0.0247 (5)
H145	0.6367	0.2385	1.0578	0.030*
C146	0.68495 (14)	0.25630 (10)	1.00965 (7)	0.0207 (5)
H146	0.6524	0.2906	1.0036	0.025*
C151	0.80130 (14)	0.23159 (10)	0.91323 (7)	0.0201 (5)
C152	0.76378 (16)	0.21055 (10)	0.88036 (7)	0.0263 (6)
H152	0.7079	0.2172	0.8749	0.032*
C153	0.80808 (18)	0.17976 (11)	0.85552 (8)	0.0341 (7)
H153	0.7825	0.1659	0.8330	0.041*
C154	0.88927 (18)	0.16941 (11)	0.86368 (8)	0.0361 (7)
H154	0.9194	0.1481	0.8469	0.043*
C155	0.92629 (16)	0.18996 (11)	0.89607 (8)	0.0313 (6)
H155	0.9819	0.1823	0.9017	0.038*
C156	0.88339 (15)	0.22175 (10)	0.92058 (7)	0.0253 (6)
H156	0.9100	0.2369	0.9425	0.030*
Pd2	0.538204 (10)	0.380564 (8)	0.700376 (5)	0.01514 (3)
I2	0.589372 (9)	0.368171 (7)	0.633627 (4)	0.02137 (3)
P2	0.51620 (4)	0.27958 (3)	0.708030 (17)	0.01812 (12)
N2	0.54975 (11)	0.47396 (8)	0.69592 (5)	0.0183 (4)
O201	0.49096 (11)	0.38376 (9)	0.81226 (5)	0.0338 (4)
O202	0.33118 (11)	0.44883 (9)	0.78774 (5)	0.0366 (5)
O203	0.59251 (10)	0.34861 (8)	0.78148 (5)	0.0246 (4)
O204	0.43934 (10)	0.50794 (8)	0.80042 (5)	0.0304 (4)
C201	0.49247 (13)	0.40369 (10)	0.74784 (7)	0.0198 (5)
C202	0.43748 (14)	0.44826 (11)	0.74723 (7)	0.0213 (5)
C203	0.52263 (14)	0.37823 (11)	0.78393 (7)	0.0231 (5)
C204	0.39649 (15)	0.46641 (12)	0.78065 (7)	0.0251 (5)
C205	0.62881 (16)	0.32296 (13)	0.81525 (7)	0.0339 (6)
H20A	0.6427	0.3555	0.8327	0.041*
H20B	0.6776	0.3008	0.8102	0.041*
H20C	0.5907	0.2953	0.8256	0.041*
C206	0.41044 (18)	0.52275 (15)	0.83537 (8)	0.0428 (8)
H20D	0.3556	0.5386	0.8317	0.051*
H20E	0.4455	0.5534	0.8476	0.051*
H20F	0.4106	0.4863	0.8506	0.051*
C211	0.47125 (14)	0.49976 (10)	0.68966 (7)	0.0206 (5)
C212	0.41362 (14)	0.48473 (10)	0.71408 (7)	0.0216 (5)
C213	0.33618 (15)	0.50865 (12)	0.70729 (7)	0.0285 (6)
H213	0.2963	0.4996	0.7236	0.034*
C214	0.31679 (16)	0.54499 (12)	0.67743 (8)	0.0345 (7)
H214	0.2636	0.5600	0.6730	0.041*
C215	0.37468 (16)	0.55979 (12)	0.65375 (8)	0.0340 (7)
H215	0.3614	0.5855	0.6334	0.041*
C216	0.45181 (15)	0.53705 (11)	0.65983 (7)	0.0272 (6)
H216	0.4915	0.5470	0.6436	0.033*
C220	0.61233 (14)	0.50798 (10)	0.69645 (6)	0.0207 (5)
H220	0.6040	0.5497	0.6912	0.025*
C221	0.69519 (13)	0.48772 (10)	0.70450 (7)	0.0193 (5)
C222	0.71439 (14)	0.43646 (10)	0.72559 (7)	0.0218 (5)
H222	0.6728	0.4130	0.7348	0.026*
C223	0.79356 (14)	0.41970 (11)	0.73319 (7)	0.0249 (5)
H223	0.8062	0.3847	0.7475	0.030*
C224	0.85488 (15)	0.45385 (11)	0.71992 (7)	0.0260 (6)
H224	0.9093	0.4421	0.7251	0.031*
C225	0.83644 (15)	0.50515 (11)	0.69916 (7)	0.0269 (6)
H225	0.8783	0.5284	0.6900	0.032*
C226	0.75698 (14)	0.52270 (11)	0.69174 (7)	0.0250 (5)
H226	0.7446	0.5584	0.6780	0.030*
C231	0.45588 (14)	0.26153 (11)	0.74600 (7)	0.0216 (5)
C232	0.47919 (15)	0.21951 (11)	0.77306 (7)	0.0254 (5)
H232	0.5279	0.1976	0.7718	0.030*
C233	0.43159 (16)	0.20945 (12)	0.80195 (7)	0.0328 (6)
H233	0.4480	0.1808	0.8203	0.039*
C234	0.36065 (17)	0.24087 (13)	0.80406 (8)	0.0379 (7)
H234	0.3283	0.2338	0.8238	0.045*
C235	0.33675 (16)	0.28287 (13)	0.77729 (8)	0.0353 (7)
H235	0.2878	0.3044	0.7786	0.042*
C236	0.38406 (14)	0.29341 (11)	0.74863 (7)	0.0267 (6)
H236	0.3677	0.3226	0.7305	0.032*
C241	0.46614 (14)	0.24023 (10)	0.66870 (7)	0.0221 (5)
C242	0.38290 (15)	0.23293 (11)	0.66502 (7)	0.0274 (6)
H242	0.3516	0.2453	0.6843	0.033*
C243	0.34558 (17)	0.20787 (12)	0.63353 (8)	0.0368 (7)
H243	0.2888	0.2036	0.6311	0.044*
C244	0.39024 (19)	0.18913 (12)	0.60582 (8)	0.0395 (7)
H244	0.3641	0.1725	0.5841	0.047*
C245	0.47333 (19)	0.19426 (12)	0.60920 (8)	0.0367 (7)
H245	0.5043	0.1803	0.5902	0.044*
C246	0.51082 (17)	0.21998 (11)	0.64070 (7)	0.0305 (6)
H246	0.5677	0.2237	0.6431	0.037*
C251	0.60865 (14)	0.23718 (10)	0.71730 (7)	0.0202 (5)
C252	0.60983 (15)	0.17382 (11)	0.71719 (8)	0.0293 (6)
H252	0.5621	0.1520	0.7101	0.035*
C253	0.67992 (17)	0.14272 (12)	0.72725 (8)	0.0366 (7)
H253	0.6799	0.0997	0.7273	0.044*
C254	0.74994 (16)	0.17391 (12)	0.73724 (8)	0.0342 (7)
H254	0.7978	0.1525	0.7445	0.041*
C255	0.75003 (15)	0.23643 (12)	0.73658 (8)	0.0308 (6)
H255	0.7983	0.2579	0.7431	0.037*
C256	0.67966 (14)	0.26805 (11)	0.72644 (7)	0.0227 (5)
H256	0.6803	0.3110	0.7258	0.027*
Pd3	0.285302 (10)	0.383534 (7)	0.451097 (5)	0.01380 (3)
I3	0.333230 (10)	0.363351 (7)	0.384679 (4)	0.02327 (4)
P3	0.23960 (4)	0.28945 (3)	0.463069 (17)	0.01722 (12)
N3	0.30802 (10)	0.47445 (8)	0.44273 (5)	0.0144 (4)
O301	0.24010 (11)	0.40795 (8)	0.56272 (5)	0.0335 (4)
O302	0.08907 (10)	0.47496 (9)	0.53539 (5)	0.0368 (5)
O303	0.33343 (10)	0.35695 (8)	0.53505 (5)	0.0292 (4)
O304	0.20057 (10)	0.53170 (7)	0.54413 (5)	0.0249 (4)
C301	0.24433 (13)	0.41582 (10)	0.49781 (6)	0.0165 (5)
C302	0.19418 (13)	0.46345 (10)	0.49479 (6)	0.0171 (5)
C303	0.27009 (14)	0.39374 (10)	0.53524 (7)	0.0193 (5)
C304	0.15482 (14)	0.48875 (10)	0.52710 (7)	0.0217 (5)
C305	0.36437 (19)	0.33452 (14)	0.57034 (8)	0.0440 (8)
H30A	0.3809	0.3687	0.5862	0.053*
H30B	0.4108	0.3083	0.5673	0.053*
H30C	0.3225	0.3113	0.5814	0.053*
C306	0.17105 (18)	0.55475 (13)	0.57742 (8)	0.0396 (7)
H30D	0.1160	0.5696	0.5723	0.048*
H30E	0.2055	0.5880	0.5869	0.048*
H30F	0.1716	0.5223	0.5957	0.048*
C311	0.23120 (13)	0.50254 (9)	0.43444 (6)	0.0160 (5)
C312	0.17253 (13)	0.49447 (10)	0.45951 (7)	0.0176 (5)
C313	0.09587 (14)	0.51870 (10)	0.45081 (7)	0.0226 (5)
H313	0.0556	0.5146	0.4676	0.027*
C314	0.07828 (14)	0.54859 (11)	0.41785 (7)	0.0265 (6)
H314	0.0257	0.5639	0.4119	0.032*
C315	0.13685 (15)	0.55618 (11)	0.39364 (7)	0.0264 (6)
H315	0.1246	0.5772	0.3713	0.032*
C316	0.21394 (14)	0.53318 (10)	0.40182 (7)	0.0206 (5)
H316	0.2542	0.5385	0.3852	0.025*
C320	0.37335 (13)	0.50396 (10)	0.44128 (6)	0.0174 (5)
H320	0.3699	0.5451	0.4339	0.021*
C321	0.45362 (13)	0.47823 (10)	0.45035 (6)	0.0175 (5)
C322	0.46646 (14)	0.42909 (10)	0.47398 (7)	0.0200 (5)
H322	0.4223	0.4106	0.4845	0.024*
C323	0.54326 (14)	0.40732 (11)	0.48210 (7)	0.0249 (5)
H323	0.5517	0.3738	0.4982	0.030*
C324	0.60816 (14)	0.43403 (11)	0.46698 (7)	0.0275 (6)
H324	0.6608	0.4187	0.4726	0.033*
C325	0.59619 (14)	0.48303 (11)	0.44373 (7)	0.0255 (6)
H325	0.6406	0.5013	0.4333	0.031*
C326	0.51955 (14)	0.50546 (11)	0.43564 (7)	0.0222 (5)
H326	0.5116	0.5395	0.4200	0.027*
C331	0.15587 (14)	0.29443 (10)	0.49180 (7)	0.0199 (5)
C332	0.15166 (15)	0.26441 (11)	0.52496 (7)	0.0255 (6)
H332	0.1938	0.2380	0.5337	0.031*
C333	0.08532 (16)	0.27316 (12)	0.54545 (8)	0.0323 (6)
H333	0.0827	0.2527	0.5681	0.039*
C334	0.02382 (16)	0.31120 (12)	0.53302 (8)	0.0344 (7)
H334	−0.0212	0.3167	0.5470	0.041*
C335	0.02753 (15)	0.34141 (12)	0.50014 (8)	0.0300 (6)
H335	−0.0150	0.3676	0.4915	0.036*
C336	0.09316 (14)	0.33349 (11)	0.47976 (7)	0.0243 (5)
H336	0.0957	0.3548	0.4574	0.029*
C341	0.20054 (14)	0.24257 (10)	0.42460 (7)	0.0208 (5)
C342	0.11919 (15)	0.22943 (11)	0.41714 (7)	0.0276 (6)
H342	0.0809	0.2452	0.4325	0.033*
C343	0.09359 (17)	0.19327 (12)	0.38732 (8)	0.0354 (7)
H343	0.0380	0.1849	0.3822	0.042*
C344	0.14890 (18)	0.16980 (11)	0.36528 (8)	0.0347 (7)
H344	0.1313	0.1461	0.3446	0.042*
C345	0.23001 (18)	0.18060 (11)	0.37308 (8)	0.0346 (7)
H345	0.2682	0.1632	0.3583	0.041*
C346	0.25542 (16)	0.21699 (11)	0.40257 (7)	0.0298 (6)
H346	0.3112	0.2245	0.4078	0.036*
C351	0.31475 (14)	0.23824 (10)	0.48401 (7)	0.0210 (5)
C352	0.29510 (16)	0.17890 (11)	0.49255 (7)	0.0300 (6)
H352	0.2405	0.1663	0.4900	0.036*
C353	0.35409 (18)	0.13821 (11)	0.50466 (8)	0.0351 (7)
H353	0.3400	0.0981	0.5108	0.042*
C354	0.43355 (18)	0.15594 (12)	0.50785 (8)	0.0370 (7)
H354	0.4742	0.1279	0.5160	0.044*
C355	0.45400 (16)	0.21421 (13)	0.49919 (8)	0.0351 (7)
H355	0.5088	0.2262	0.5014	0.042*
C356	0.39543 (15)	0.25559 (11)	0.48724 (7)	0.0265 (6)
H356	0.4101	0.2957	0.4812	0.032*
Pd4	0.066901 (10)	0.356189 (7)	0.195515 (5)	0.01439 (3)
I4	0.110728 (9)	0.349090 (7)	0.126646 (4)	0.02136 (3)
P4	0.02612 (3)	0.25843 (2)	0.195618 (16)	0.01488 (12)
N4	0.07953 (11)	0.44889 (8)	0.19191 (5)	0.0159 (4)
O401	0.03121 (12)	0.36790 (8)	0.30896 (5)	0.0359 (5)
O402	−0.13308 (11)	0.42279 (9)	0.28668 (5)	0.0371 (5)
O403	0.12015 (11)	0.32003 (8)	0.27687 (5)	0.0294 (4)
O404	−0.03408 (10)	0.49141 (7)	0.29189 (5)	0.0257 (4)
C401	0.02333 (14)	0.37831 (10)	0.24377 (6)	0.0198 (5)
C402	−0.03203 (14)	0.42270 (10)	0.24332 (7)	0.0195 (5)
C403	0.05632 (17)	0.35546 (11)	0.27972 (7)	0.0285 (6)
C404	−0.07186 (15)	0.44352 (11)	0.27693 (7)	0.0228 (5)
C405	0.14865 (19)	0.29337 (16)	0.31145 (9)	0.0531 (9)
H40A	0.1719	0.3249	0.3278	0.064*
H40B	0.1897	0.2629	0.3074	0.064*
H40C	0.1037	0.2742	0.3226	0.064*
C406	−0.06815 (17)	0.51513 (13)	0.32414 (8)	0.0405 (8)
H40D	−0.1244	0.5264	0.3180	0.049*
H40E	−0.0378	0.5509	0.3329	0.049*
H40F	−0.0653	0.4842	0.3433	0.049*
C411	−0.00079 (13)	0.47172 (9)	0.18471 (6)	0.0164 (5)
C412	−0.05776 (13)	0.45695 (10)	0.20975 (7)	0.0182 (5)
C413	−0.13658 (14)	0.47832 (10)	0.20239 (7)	0.0236 (5)
H413	−0.1755	0.4708	0.2194	0.028*
C414	−0.15815 (15)	0.51007 (11)	0.17087 (8)	0.0285 (6)
H414	−0.2121	0.5233	0.1660	0.034*
C415	−0.10157 (15)	0.52281 (11)	0.14611 (7)	0.0256 (6)
H415	−0.1170	0.5444	0.1243	0.031*
C416	−0.02255 (14)	0.50406 (10)	0.15323 (7)	0.0198 (5)
H416	0.0164	0.5134	0.1365	0.024*
C420	0.14023 (13)	0.48357 (10)	0.19184 (6)	0.0183 (5)
H420	0.1308	0.5251	0.1864	0.022*
C421	0.22355 (14)	0.46401 (10)	0.19955 (7)	0.0195 (5)
C422	0.24407 (14)	0.41019 (10)	0.21787 (7)	0.0236 (5)
H422	0.2031	0.3843	0.2254	0.028*
C423	0.32432 (16)	0.39456 (12)	0.22505 (8)	0.0309 (6)
H423	0.3382	0.3579	0.2375	0.037*
C424	0.38426 (15)	0.43228 (12)	0.21405 (8)	0.0309 (6)
H424	0.4391	0.4214	0.2189	0.037*
C425	0.36441 (15)	0.48588 (12)	0.19592 (7)	0.0285 (6)
H425	0.4056	0.5116	0.1884	0.034*
C426	0.28440 (14)	0.50194 (11)	0.18885 (7)	0.0236 (5)
H426	0.2709	0.5389	0.1767	0.028*
C431	−0.07410 (13)	0.25386 (10)	0.17227 (6)	0.0176 (5)
C432	−0.11664 (14)	0.19931 (10)	0.17137 (7)	0.0222 (5)
H432	−0.0921	0.1638	0.1817	0.027*
C433	−0.19451 (14)	0.19710 (11)	0.15540 (7)	0.0268 (6)
H433	−0.2230	0.1599	0.1544	0.032*
C434	−0.23098 (15)	0.24881 (12)	0.14096 (7)	0.0279 (6)
H434	−0.2845	0.2471	0.1301	0.033*
C435	−0.19001 (15)	0.30285 (12)	0.14220 (7)	0.0277 (6)
H435	−0.2154	0.3384	0.1324	0.033*
C436	−0.11164 (14)	0.30567 (11)	0.15779 (7)	0.0222 (5)
H436	−0.0836	0.3431	0.1586	0.027*
C441	0.01077 (13)	0.21703 (9)	0.23762 (6)	0.0156 (4)
C442	0.04409 (14)	0.15998 (10)	0.24537 (6)	0.0200 (5)
H442	0.0793	0.1425	0.2292	0.024*
C443	0.02615 (14)	0.12862 (10)	0.27662 (7)	0.0231 (5)
H443	0.0493	0.0900	0.2816	0.028*
C444	−0.02470 (14)	0.15323 (10)	0.30019 (7)	0.0220 (5)
H444	−0.0366	0.1316	0.3215	0.026*
C445	−0.05884 (14)	0.20957 (10)	0.29312 (7)	0.0215 (5)
H445	−0.0943	0.2265	0.3094	0.026*
C446	−0.04091 (13)	0.24119 (10)	0.26206 (6)	0.0192 (5)
H446	−0.0642	0.2799	0.2573	0.023*
C451	0.09132 (13)	0.20774 (10)	0.17218 (6)	0.0173 (5)
C452	0.06777 (14)	0.17750 (10)	0.13994 (6)	0.0191 (5)
H452	0.0147	0.1828	0.1290	0.023*
C453	0.12053 (14)	0.13967 (10)	0.12343 (7)	0.0226 (5)
H453	0.1042	0.1201	0.1010	0.027*
C454	0.19715 (15)	0.13054 (11)	0.13978 (7)	0.0236 (5)
H454	0.2330	0.1038	0.1289	0.028*
C455	0.22136 (14)	0.16037 (11)	0.17193 (7)	0.0262 (6)
H455	0.2738	0.1538	0.1833	0.031*
C456	0.16943 (14)	0.19991 (11)	0.18773 (7)	0.0242 (5)
H456	0.1872	0.2217	0.2092	0.029*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Pd1	0.01342 (8)	0.01423 (8)	0.01315 (9)	−0.00032 (6)	0.00329 (6)	−0.00024 (6)
I1	0.02859 (8)	0.02103 (8)	0.01725 (8)	0.00036 (6)	0.00976 (6)	0.00114 (6)
P1	0.0165 (3)	0.0168 (3)	0.0144 (3)	−0.0025 (2)	0.0026 (2)	−0.0008 (2)
N1	0.0165 (9)	0.0159 (9)	0.0164 (10)	0.0017 (7)	0.0032 (8)	−0.0004 (7)
O101	0.0292 (10)	0.0338 (10)	0.0145 (9)	0.0060 (8)	0.0056 (7)	0.0033 (7)
O102	0.0205 (9)	0.0401 (11)	0.0287 (11)	−0.0059 (8)	0.0107 (8)	−0.0077 (8)
O103	0.0200 (8)	0.0261 (9)	0.0182 (9)	0.0040 (7)	0.0001 (7)	0.0021 (7)
O104	0.0263 (9)	0.0303 (9)	0.0225 (10)	−0.0047 (7)	0.0082 (8)	−0.0113 (8)
C101	0.0154 (11)	0.0174 (11)	0.0159 (12)	−0.0035 (8)	0.0044 (9)	−0.0001 (8)
C102	0.0130 (11)	0.0201 (11)	0.0166 (12)	−0.0028 (8)	0.0026 (9)	−0.0029 (9)
C103	0.0196 (12)	0.0166 (11)	0.0185 (13)	−0.0035 (9)	0.0015 (9)	−0.0006 (9)
C104	0.0221 (12)	0.0210 (12)	0.0142 (12)	0.0023 (9)	0.0014 (10)	−0.0020 (9)
C105	0.0293 (14)	0.0388 (15)	0.0242 (15)	0.0092 (12)	−0.0030 (12)	0.0045 (12)
C106	0.0480 (19)	0.061 (2)	0.0334 (18)	−0.0110 (16)	0.0198 (15)	−0.0290 (15)
C111	0.0166 (11)	0.0144 (10)	0.0188 (12)	0.0014 (8)	0.0025 (9)	−0.0031 (9)
C112	0.0167 (11)	0.0149 (10)	0.0171 (12)	0.0006 (8)	0.0023 (9)	−0.0026 (8)
C113	0.0166 (11)	0.0240 (12)	0.0207 (13)	0.0015 (9)	0.0030 (10)	−0.0047 (10)
C114	0.0195 (12)	0.0291 (13)	0.0250 (14)	0.0073 (10)	−0.0008 (10)	−0.0037 (10)
C115	0.0293 (14)	0.0232 (12)	0.0216 (14)	0.0081 (10)	0.0000 (11)	0.0017 (10)
C116	0.0254 (13)	0.0195 (12)	0.0209 (13)	−0.0001 (10)	0.0053 (10)	0.0005 (9)
C120	0.0228 (12)	0.0174 (11)	0.0175 (13)	−0.0028 (9)	0.0045 (10)	−0.0002 (9)
C121	0.0158 (11)	0.0232 (12)	0.0172 (12)	−0.0037 (9)	0.0017 (9)	−0.0041 (9)
C122	0.0189 (12)	0.0241 (12)	0.0223 (14)	−0.0035 (9)	0.0013 (10)	−0.0003 (10)
C123	0.0229 (13)	0.0277 (13)	0.0288 (15)	0.0003 (10)	−0.0004 (11)	0.0002 (11)
C124	0.0170 (12)	0.0364 (15)	0.0278 (15)	0.0002 (10)	0.0014 (11)	−0.0063 (11)
C125	0.0203 (13)	0.0351 (14)	0.0258 (15)	−0.0083 (11)	0.0062 (11)	−0.0069 (11)
C126	0.0231 (13)	0.0209 (12)	0.0231 (14)	−0.0054 (10)	0.0031 (10)	−0.0036 (10)
C131	0.0186 (12)	0.0365 (14)	0.0152 (13)	−0.0057 (10)	0.0042 (10)	−0.0030 (10)
C132	0.0326 (16)	0.0514 (18)	0.0272 (16)	−0.0212 (13)	0.0026 (12)	−0.0037 (13)
C133	0.0378 (18)	0.092 (3)	0.0338 (19)	−0.0348 (19)	0.0024 (15)	−0.0031 (18)
C134	0.0181 (15)	0.121 (3)	0.0255 (18)	−0.0130 (18)	0.0003 (13)	−0.0054 (19)
C135	0.0278 (16)	0.089 (3)	0.0209 (16)	0.0152 (16)	0.0009 (12)	0.0044 (16)
C136	0.0213 (13)	0.0501 (17)	0.0164 (13)	0.0028 (12)	0.0005 (10)	−0.0007 (11)
C141	0.0206 (12)	0.0161 (11)	0.0159 (12)	−0.0044 (9)	0.0040 (9)	−0.0002 (9)
C142	0.0278 (13)	0.0207 (12)	0.0217 (14)	−0.0010 (10)	0.0067 (11)	−0.0012 (10)
C143	0.0365 (15)	0.0194 (12)	0.0262 (15)	0.0026 (11)	0.0023 (12)	0.0047 (10)
C144	0.0371 (15)	0.0243 (13)	0.0200 (14)	−0.0055 (11)	0.0050 (11)	0.0045 (10)
C145	0.0269 (13)	0.0300 (13)	0.0180 (13)	−0.0045 (10)	0.0064 (10)	0.0005 (10)
C146	0.0209 (12)	0.0209 (12)	0.0207 (13)	−0.0012 (9)	0.0031 (10)	0.0016 (9)
C151	0.0278 (13)	0.0134 (11)	0.0202 (13)	−0.0049 (9)	0.0090 (10)	−0.0003 (9)
C152	0.0385 (15)	0.0191 (12)	0.0221 (14)	−0.0065 (11)	0.0071 (11)	−0.0009 (10)
C153	0.060 (2)	0.0215 (13)	0.0223 (15)	−0.0063 (13)	0.0138 (14)	−0.0043 (11)
C154	0.056 (2)	0.0199 (13)	0.0363 (18)	−0.0034 (12)	0.0303 (15)	−0.0013 (11)
C155	0.0324 (15)	0.0228 (13)	0.0414 (18)	−0.0010 (11)	0.0208 (13)	−0.0018 (12)
C156	0.0269 (13)	0.0197 (12)	0.0305 (15)	−0.0036 (10)	0.0094 (11)	0.0001 (10)
Pd2	0.01432 (8)	0.01828 (8)	0.01301 (9)	0.00177 (6)	0.00220 (6)	0.00209 (6)
I2	0.02390 (8)	0.02360 (8)	0.01737 (8)	0.00297 (6)	0.00649 (6)	0.00256 (6)
P2	0.0166 (3)	0.0205 (3)	0.0173 (3)	−0.0008 (2)	0.0016 (2)	0.0036 (2)
N2	0.0205 (10)	0.0201 (10)	0.0144 (10)	0.0039 (8)	0.0024 (8)	0.0008 (8)
O201	0.0373 (11)	0.0499 (12)	0.0150 (10)	0.0094 (9)	0.0079 (8)	0.0052 (8)
O202	0.0241 (10)	0.0558 (13)	0.0312 (12)	−0.0022 (9)	0.0114 (9)	−0.0054 (10)
O203	0.0212 (9)	0.0352 (10)	0.0172 (9)	0.0039 (7)	−0.0002 (7)	0.0055 (7)
O204	0.0272 (10)	0.0419 (11)	0.0228 (10)	0.0018 (8)	0.0076 (8)	−0.0062 (8)
C201	0.0184 (12)	0.0237 (12)	0.0177 (13)	−0.0002 (9)	0.0046 (9)	0.0011 (9)
C202	0.0173 (12)	0.0300 (13)	0.0170 (13)	0.0000 (10)	0.0035 (10)	−0.0007 (10)
C203	0.0232 (13)	0.0265 (13)	0.0200 (13)	−0.0023 (10)	0.0037 (10)	−0.0009 (10)
C204	0.0222 (13)	0.0356 (14)	0.0179 (13)	0.0077 (11)	0.0040 (10)	0.0028 (11)
C205	0.0307 (15)	0.0520 (18)	0.0183 (14)	0.0087 (13)	−0.0011 (11)	0.0096 (12)
C206	0.0417 (17)	0.065 (2)	0.0229 (16)	0.0044 (15)	0.0115 (13)	−0.0119 (14)
C211	0.0197 (12)	0.0224 (12)	0.0197 (13)	0.0070 (9)	0.0012 (10)	−0.0005 (9)
C212	0.0214 (12)	0.0252 (12)	0.0180 (13)	0.0040 (10)	0.0009 (10)	−0.0010 (10)
C213	0.0217 (13)	0.0362 (15)	0.0278 (15)	0.0085 (11)	0.0031 (11)	−0.0026 (11)
C214	0.0250 (14)	0.0415 (16)	0.0367 (18)	0.0173 (12)	0.0004 (12)	0.0041 (13)
C215	0.0376 (16)	0.0376 (16)	0.0268 (16)	0.0156 (12)	0.0034 (13)	0.0089 (12)
C216	0.0295 (14)	0.0277 (13)	0.0245 (15)	0.0062 (11)	0.0034 (11)	0.0036 (11)
C220	0.0263 (13)	0.0188 (11)	0.0169 (13)	0.0027 (9)	0.0012 (10)	0.0005 (9)
C221	0.0191 (12)	0.0202 (11)	0.0188 (13)	0.0012 (9)	0.0019 (10)	−0.0027 (9)
C222	0.0215 (12)	0.0214 (12)	0.0221 (13)	−0.0022 (9)	0.0003 (10)	0.0014 (10)
C223	0.0261 (13)	0.0211 (12)	0.0265 (14)	0.0018 (10)	−0.0038 (11)	0.0005 (10)
C224	0.0210 (13)	0.0269 (13)	0.0295 (15)	0.0018 (10)	−0.0015 (11)	−0.0055 (11)
C225	0.0222 (13)	0.0305 (14)	0.0285 (15)	−0.0062 (10)	0.0046 (11)	−0.0009 (11)
C226	0.0265 (13)	0.0215 (12)	0.0270 (15)	−0.0030 (10)	0.0016 (11)	0.0029 (10)
C231	0.0178 (12)	0.0269 (13)	0.0201 (13)	−0.0052 (10)	0.0022 (10)	0.0034 (10)
C232	0.0241 (13)	0.0277 (13)	0.0240 (14)	−0.0005 (10)	0.0001 (11)	0.0061 (10)
C233	0.0391 (16)	0.0363 (15)	0.0234 (15)	−0.0041 (12)	0.0041 (12)	0.0130 (12)
C234	0.0361 (16)	0.0536 (19)	0.0257 (16)	−0.0033 (14)	0.0136 (13)	0.0108 (13)
C235	0.0237 (14)	0.0499 (18)	0.0332 (17)	0.0027 (12)	0.0089 (12)	0.0073 (13)
C236	0.0223 (13)	0.0348 (14)	0.0230 (14)	−0.0010 (11)	0.0026 (11)	0.0073 (11)
C241	0.0260 (13)	0.0191 (12)	0.0206 (13)	−0.0020 (10)	−0.0010 (10)	0.0040 (9)
C242	0.0260 (13)	0.0253 (13)	0.0302 (15)	−0.0027 (10)	−0.0019 (11)	−0.0010 (11)
C243	0.0328 (16)	0.0331 (15)	0.0420 (19)	−0.0079 (12)	−0.0128 (14)	0.0004 (13)
C244	0.058 (2)	0.0251 (14)	0.0327 (17)	−0.0092 (13)	−0.0139 (15)	−0.0007 (12)
C245	0.057 (2)	0.0283 (14)	0.0252 (16)	−0.0070 (13)	0.0034 (14)	−0.0048 (11)
C246	0.0362 (15)	0.0286 (14)	0.0269 (15)	−0.0033 (11)	0.0031 (12)	−0.0014 (11)
C251	0.0186 (12)	0.0230 (12)	0.0191 (13)	0.0018 (9)	0.0017 (10)	0.0042 (9)
C252	0.0277 (14)	0.0226 (13)	0.0377 (17)	−0.0020 (10)	0.0037 (12)	0.0032 (11)
C253	0.0417 (17)	0.0224 (13)	0.0461 (19)	0.0075 (12)	0.0055 (14)	0.0088 (12)
C254	0.0293 (15)	0.0363 (15)	0.0366 (17)	0.0133 (12)	−0.0001 (13)	0.0091 (13)
C255	0.0190 (13)	0.0355 (15)	0.0373 (17)	0.0034 (11)	−0.0023 (12)	0.0017 (12)
C256	0.0196 (12)	0.0231 (12)	0.0253 (14)	0.0010 (9)	0.0012 (10)	0.0044 (10)
Pd3	0.01376 (8)	0.01384 (8)	0.01392 (9)	0.00039 (6)	0.00187 (6)	−0.00049 (6)
I3	0.02867 (9)	0.02536 (8)	0.01612 (8)	0.00733 (6)	0.00394 (6)	−0.00150 (6)
P3	0.0178 (3)	0.0152 (3)	0.0183 (3)	−0.0015 (2)	−0.0009 (2)	0.0005 (2)
N3	0.0153 (9)	0.0156 (9)	0.0126 (10)	0.0015 (7)	0.0035 (7)	−0.0003 (7)
O301	0.0449 (12)	0.0350 (11)	0.0223 (11)	0.0115 (9)	0.0124 (9)	0.0052 (8)
O302	0.0198 (9)	0.0544 (13)	0.0379 (13)	−0.0059 (9)	0.0133 (9)	−0.0145 (10)
O303	0.0314 (10)	0.0385 (10)	0.0177 (10)	0.0126 (8)	0.0016 (8)	0.0048 (8)
O304	0.0290 (10)	0.0247 (9)	0.0223 (10)	−0.0036 (7)	0.0098 (8)	−0.0079 (7)
C301	0.0158 (11)	0.0178 (11)	0.0163 (12)	−0.0039 (8)	0.0047 (9)	−0.0026 (9)
C302	0.0130 (11)	0.0179 (11)	0.0209 (13)	−0.0044 (8)	0.0041 (9)	−0.0039 (9)
C303	0.0233 (12)	0.0175 (11)	0.0170 (12)	−0.0040 (9)	0.0018 (10)	0.0010 (9)
C304	0.0198 (12)	0.0231 (12)	0.0225 (14)	0.0027 (9)	0.0045 (10)	−0.0020 (10)
C305	0.054 (2)	0.0523 (19)	0.0252 (16)	0.0210 (15)	−0.0016 (14)	0.0118 (14)
C306	0.0526 (19)	0.0374 (16)	0.0309 (17)	−0.0028 (14)	0.0160 (14)	−0.0156 (13)
C311	0.0147 (11)	0.0130 (10)	0.0201 (13)	0.0005 (8)	0.0003 (9)	−0.0030 (9)
C312	0.0146 (11)	0.0154 (11)	0.0228 (13)	0.0001 (8)	0.0015 (9)	−0.0034 (9)
C313	0.0149 (11)	0.0250 (13)	0.0281 (15)	0.0007 (9)	0.0025 (10)	−0.0019 (10)
C314	0.0181 (12)	0.0285 (13)	0.0323 (16)	0.0057 (10)	−0.0027 (11)	0.0017 (11)
C315	0.0291 (14)	0.0235 (13)	0.0254 (14)	0.0034 (10)	−0.0056 (11)	0.0034 (10)
C316	0.0202 (12)	0.0187 (11)	0.0228 (13)	0.0000 (9)	0.0014 (10)	−0.0004 (9)
C320	0.0197 (12)	0.0160 (11)	0.0170 (12)	−0.0007 (9)	0.0045 (9)	0.0006 (9)
C321	0.0150 (11)	0.0185 (11)	0.0190 (13)	−0.0007 (9)	0.0013 (9)	−0.0035 (9)
C322	0.0173 (11)	0.0211 (12)	0.0214 (13)	−0.0022 (9)	0.0001 (10)	−0.0006 (9)
C323	0.0236 (13)	0.0232 (12)	0.0271 (15)	0.0018 (10)	−0.0031 (11)	−0.0002 (10)
C324	0.0168 (12)	0.0304 (14)	0.0349 (16)	0.0028 (10)	0.0004 (11)	−0.0084 (11)
C325	0.0167 (12)	0.0317 (14)	0.0290 (15)	−0.0046 (10)	0.0069 (10)	−0.0058 (11)
C326	0.0203 (12)	0.0238 (12)	0.0229 (14)	−0.0022 (10)	0.0044 (10)	−0.0012 (10)
C331	0.0212 (12)	0.0176 (11)	0.0211 (13)	−0.0056 (9)	0.0027 (10)	−0.0016 (9)
C332	0.0301 (14)	0.0214 (12)	0.0250 (14)	−0.0045 (10)	0.0016 (11)	0.0005 (10)
C333	0.0403 (16)	0.0342 (15)	0.0237 (15)	−0.0120 (12)	0.0100 (12)	0.0017 (11)
C334	0.0312 (15)	0.0346 (15)	0.0389 (18)	−0.0099 (12)	0.0136 (13)	−0.0055 (13)
C335	0.0220 (13)	0.0295 (14)	0.0390 (17)	−0.0028 (11)	0.0051 (12)	−0.0034 (12)
C336	0.0226 (13)	0.0240 (12)	0.0261 (14)	−0.0035 (10)	0.0011 (11)	0.0017 (10)
C341	0.0257 (13)	0.0160 (11)	0.0202 (13)	−0.0021 (9)	−0.0023 (10)	0.0001 (9)
C342	0.0261 (13)	0.0261 (13)	0.0297 (15)	−0.0034 (10)	−0.0028 (11)	0.0009 (11)
C343	0.0359 (16)	0.0305 (15)	0.0372 (18)	−0.0097 (12)	−0.0129 (13)	−0.0014 (12)
C344	0.0544 (19)	0.0218 (13)	0.0256 (15)	−0.0063 (12)	−0.0111 (14)	−0.0021 (11)
C345	0.0490 (18)	0.0240 (14)	0.0307 (16)	0.0005 (12)	0.0026 (14)	−0.0073 (11)
C346	0.0307 (14)	0.0281 (14)	0.0303 (16)	−0.0025 (11)	0.0011 (12)	−0.0066 (11)
C351	0.0255 (13)	0.0200 (12)	0.0170 (13)	0.0036 (10)	−0.0024 (10)	0.0000 (9)
C352	0.0347 (15)	0.0200 (12)	0.0336 (16)	−0.0008 (11)	−0.0071 (12)	0.0012 (11)
C353	0.0488 (18)	0.0195 (13)	0.0357 (17)	0.0069 (12)	−0.0053 (14)	0.0026 (11)
C354	0.0452 (17)	0.0344 (16)	0.0305 (16)	0.0214 (13)	−0.0034 (13)	0.0019 (12)
C355	0.0245 (14)	0.0417 (17)	0.0387 (18)	0.0108 (12)	−0.0004 (12)	0.0033 (13)
C356	0.0263 (13)	0.0259 (13)	0.0271 (15)	0.0039 (10)	0.0006 (11)	0.0025 (11)
Pd4	0.01743 (8)	0.01292 (8)	0.01295 (9)	−0.00208 (6)	0.00197 (7)	−0.00009 (6)
I4	0.02720 (8)	0.02062 (7)	0.01697 (8)	−0.00082 (6)	0.00621 (6)	0.00045 (6)
P4	0.0174 (3)	0.0140 (3)	0.0132 (3)	−0.0012 (2)	0.0013 (2)	0.0000 (2)
N4	0.0183 (10)	0.0165 (9)	0.0131 (10)	−0.0010 (7)	0.0029 (8)	0.0000 (7)
O401	0.0604 (14)	0.0302 (10)	0.0177 (10)	0.0008 (9)	0.0074 (9)	0.0003 (8)
O402	0.0373 (11)	0.0461 (12)	0.0305 (12)	−0.0206 (9)	0.0183 (9)	−0.0137 (9)
O403	0.0361 (11)	0.0349 (10)	0.0163 (10)	−0.0027 (8)	−0.0032 (8)	0.0052 (8)
O404	0.0266 (9)	0.0238 (9)	0.0279 (11)	−0.0077 (7)	0.0095 (8)	−0.0103 (7)
C401	0.0256 (12)	0.0188 (11)	0.0153 (12)	−0.0090 (9)	0.0043 (10)	0.0002 (9)
C402	0.0229 (12)	0.0166 (11)	0.0200 (13)	−0.0091 (9)	0.0069 (10)	−0.0052 (9)
C403	0.0435 (16)	0.0174 (12)	0.0243 (15)	−0.0108 (11)	0.0006 (12)	0.0012 (10)
C404	0.0265 (13)	0.0230 (12)	0.0198 (13)	−0.0047 (10)	0.0067 (10)	−0.0035 (10)
C405	0.045 (2)	0.076 (2)	0.037 (2)	0.0180 (17)	−0.0022 (16)	0.0144 (17)
C406	0.0455 (18)	0.0442 (18)	0.0339 (18)	−0.0045 (14)	0.0163 (14)	−0.0232 (14)
C411	0.0176 (11)	0.0132 (10)	0.0186 (12)	−0.0018 (8)	0.0028 (9)	−0.0046 (8)
C412	0.0206 (12)	0.0140 (11)	0.0205 (13)	−0.0047 (9)	0.0053 (10)	−0.0047 (9)
C413	0.0215 (12)	0.0224 (12)	0.0281 (15)	−0.0036 (10)	0.0085 (11)	−0.0050 (10)
C414	0.0211 (13)	0.0285 (14)	0.0353 (17)	0.0028 (10)	−0.0005 (11)	−0.0057 (11)
C415	0.0283 (14)	0.0230 (13)	0.0249 (14)	0.0046 (10)	−0.0025 (11)	−0.0020 (10)
C416	0.0233 (12)	0.0172 (11)	0.0191 (13)	−0.0014 (9)	0.0031 (10)	−0.0017 (9)
C420	0.0225 (12)	0.0163 (11)	0.0162 (12)	−0.0012 (9)	0.0027 (9)	−0.0005 (9)
C421	0.0210 (12)	0.0192 (11)	0.0185 (13)	−0.0012 (9)	0.0019 (10)	−0.0030 (9)
C422	0.0225 (13)	0.0215 (12)	0.0262 (14)	−0.0023 (10)	−0.0027 (10)	0.0000 (10)
C423	0.0320 (15)	0.0283 (14)	0.0313 (16)	0.0049 (11)	−0.0047 (12)	0.0007 (11)
C424	0.0201 (13)	0.0392 (16)	0.0327 (16)	0.0053 (11)	−0.0020 (11)	−0.0096 (12)
C425	0.0220 (13)	0.0347 (15)	0.0295 (16)	−0.0067 (11)	0.0062 (11)	−0.0066 (11)
C426	0.0221 (13)	0.0240 (12)	0.0249 (14)	−0.0034 (10)	0.0036 (10)	−0.0022 (10)
C431	0.0164 (11)	0.0226 (12)	0.0137 (12)	−0.0023 (9)	0.0012 (9)	−0.0030 (9)
C432	0.0214 (12)	0.0211 (12)	0.0240 (14)	−0.0034 (9)	0.0003 (10)	−0.0019 (10)
C433	0.0230 (13)	0.0294 (14)	0.0281 (15)	−0.0076 (10)	0.0028 (11)	−0.0061 (11)
C434	0.0192 (12)	0.0452 (16)	0.0191 (14)	−0.0029 (11)	−0.0002 (10)	−0.0033 (11)
C435	0.0262 (14)	0.0335 (14)	0.0229 (14)	0.0037 (11)	−0.0018 (11)	0.0049 (11)
C436	0.0225 (12)	0.0240 (12)	0.0199 (13)	−0.0024 (10)	0.0005 (10)	0.0046 (10)
C441	0.0168 (11)	0.0161 (10)	0.0137 (12)	−0.0039 (8)	0.0006 (9)	−0.0006 (8)
C442	0.0252 (13)	0.0183 (11)	0.0169 (12)	0.0010 (9)	0.0041 (10)	−0.0003 (9)
C443	0.0257 (13)	0.0191 (12)	0.0247 (14)	0.0003 (10)	0.0033 (10)	0.0024 (10)
C444	0.0272 (13)	0.0225 (12)	0.0164 (12)	−0.0057 (10)	0.0033 (10)	0.0033 (9)
C445	0.0201 (12)	0.0259 (13)	0.0192 (13)	−0.0044 (10)	0.0055 (10)	−0.0027 (10)
C446	0.0206 (12)	0.0179 (11)	0.0192 (13)	0.0004 (9)	0.0015 (10)	−0.0002 (9)
C451	0.0203 (11)	0.0155 (11)	0.0167 (12)	−0.0037 (9)	0.0050 (9)	0.0005 (9)
C452	0.0217 (12)	0.0215 (12)	0.0141 (12)	−0.0007 (9)	0.0015 (9)	0.0005 (9)
C453	0.0266 (13)	0.0226 (12)	0.0190 (13)	−0.0048 (10)	0.0047 (10)	−0.0036 (9)
C454	0.0258 (13)	0.0240 (12)	0.0225 (14)	0.0009 (10)	0.0110 (11)	−0.0033 (10)
C455	0.0185 (12)	0.0321 (14)	0.0281 (15)	0.0006 (10)	0.0028 (11)	−0.0028 (11)
C456	0.0238 (13)	0.0271 (13)	0.0216 (14)	−0.0029 (10)	0.0017 (10)	−0.0063 (10)

Geometric parameters (Å, º)

Pd1—C101	2.019 (2)	O403—C403	1.333 (3)
Pd1—N1	2.0744 (18)	O403—C405	1.445 (3)
Pd1—P1	2.2524 (6)	O404—C404	1.329 (3)
Pd1—I1	2.6716 (3)	O404—C406	1.450 (3)
C101—C102	1.338 (3)	C401—C403	1.478 (3)
Pd2—C201	2.020 (2)	C402—C412	1.480 (3)
Pd2—N2	2.0813 (19)	C402—C404	1.517 (3)
Pd2—P2	2.2833 (6)	C411—C416	1.382 (3)
Pd2—I2	2.6683 (3)	C411—C412	1.411 (3)
C201—C202	1.346 (3)	C412—C413	1.404 (3)
Pd3—C301	2.023 (2)	C413—C414	1.376 (4)
Pd3—N3	2.0727 (17)	C414—C415	1.389 (4)
Pd3—P3	2.2700 (6)	C415—C416	1.388 (3)
Pd3—I3	2.6595 (3)	C420—C421	1.463 (3)
C301—C302	1.344 (3)	C421—C422	1.396 (3)
Pd4—C401	2.024 (2)	C421—C426	1.397 (3)
Pd4—N4	2.0654 (18)	C422—C423	1.389 (3)
Pd4—P4	2.2660 (6)	C423—C424	1.386 (4)
Pd4—I4	2.6877 (3)	C424—C425	1.386 (4)
C401—C402	1.347 (3)	C425—C426	1.387 (3)
P1—C131	1.813 (2)	C431—C436	1.391 (3)
P1—C141	1.820 (2)	C431—C432	1.399 (3)
P1—C151	1.825 (2)	C432—C433	1.384 (3)
N1—C120	1.280 (3)	C433—C434	1.381 (3)
N1—C111	1.433 (3)	C434—C435	1.376 (3)
O101—C103	1.211 (3)	C435—C436	1.388 (3)
O102—C104	1.200 (3)	C441—C446	1.397 (3)
O103—C103	1.348 (3)	C441—C442	1.399 (3)
O103—C105	1.448 (3)	C442—C443	1.392 (3)
O104—C104	1.343 (3)	C443—C444	1.370 (3)
O104—C106	1.443 (3)	C444—C445	1.386 (3)
C101—C103	1.492 (3)	C445—C446	1.389 (3)
C102—C112	1.486 (3)	C451—C452	1.388 (3)
C102—C104	1.506 (3)	C451—C456	1.393 (3)
C111—C116	1.392 (3)	C452—C453	1.387 (3)
C111—C112	1.410 (3)	C453—C454	1.384 (3)
C112—C113	1.396 (3)	C454—C455	1.384 (3)
C113—C114	1.392 (3)	C455—C456	1.389 (3)
C114—C115	1.386 (3)	C105—H10A	0.9800
C115—C116	1.384 (3)	C105—H10B	0.9800
C120—C121	1.464 (3)	C105—H10C	0.9800
C121—C126	1.392 (3)	C106—H10D	0.9800
C121—C122	1.397 (3)	C106—H10E	0.9800
C122—C123	1.384 (3)	C106—H10F	0.9800
C123—C124	1.384 (3)	C113—H113	0.9500
C124—C125	1.384 (4)	C114—H114	0.9500
C125—C126	1.394 (3)	C115—H115	0.9500
C131—C136	1.381 (3)	C116—H116	0.9500
C131—C132	1.406 (3)	C120—H120	0.9500
C132—C133	1.365 (4)	C122—H122	0.9500
C133—C134	1.377 (5)	C123—H123	0.9500
C134—C135	1.374 (5)	C124—H124	0.9500
C135—C136	1.400 (4)	C125—H125	0.9500
C141—C142	1.393 (3)	C126—H126	0.9500
C141—C146	1.403 (3)	C132—H132	0.9500
C142—C143	1.391 (3)	C133—H133	0.9500
C143—C144	1.374 (3)	C134—H134	0.9500
C144—C145	1.380 (3)	C135—H135	0.9500
C145—C146	1.386 (3)	C136—H136	0.9500
C151—C156	1.393 (3)	C142—H142	0.9500
C151—C152	1.394 (3)	C143—H143	0.9500
C152—C153	1.394 (3)	C144—H144	0.9500
C153—C154	1.384 (4)	C145—H145	0.9500
C154—C155	1.373 (4)	C146—H146	0.9500
C155—C156	1.384 (3)	C152—H152	0.9500
P2—C251	1.815 (2)	C153—H153	0.9500
P2—C231	1.825 (2)	C154—H154	0.9500
P2—C241	1.829 (2)	C155—H155	0.9500
N2—C220	1.286 (3)	C156—H156	0.9500
N2—C211	1.431 (3)	C205—H20A	0.9800
O201—C203	1.208 (3)	C205—H20B	0.9800
O202—C204	1.205 (3)	C205—H20C	0.9800
O203—C203	1.347 (3)	C206—H20D	0.9800
O203—C205	1.451 (3)	C206—H20E	0.9800
O204—C204	1.341 (3)	C206—H20F	0.9800
O204—C206	1.442 (3)	C213—H213	0.9500
C201—C203	1.489 (3)	C214—H214	0.9500
C202—C212	1.487 (3)	C215—H215	0.9500
C202—C204	1.504 (3)	C216—H216	0.9500
C211—C216	1.388 (3)	C220—H220	0.9500
C211—C212	1.404 (3)	C222—H222	0.9500
C212—C213	1.401 (3)	C223—H223	0.9500
C213—C214	1.376 (4)	C224—H224	0.9500
C214—C215	1.388 (4)	C225—H225	0.9500
C215—C216	1.384 (3)	C226—H226	0.9500
C220—C221	1.462 (3)	C232—H232	0.9500
C221—C222	1.395 (3)	C233—H233	0.9500
C221—C226	1.398 (3)	C234—H234	0.9500
C222—C223	1.380 (3)	C235—H235	0.9500
C223—C224	1.390 (3)	C236—H236	0.9500
C224—C225	1.387 (3)	C242—H242	0.9500
C225—C226	1.389 (3)	C243—H243	0.9500
C231—C232	1.392 (3)	C244—H244	0.9500
C231—C236	1.401 (3)	C245—H245	0.9500
C232—C233	1.391 (3)	C246—H246	0.9500
C233—C234	1.380 (4)	C252—H252	0.9500
C234—C235	1.387 (4)	C253—H253	0.9500
C235—C236	1.382 (4)	C254—H254	0.9500
C241—C246	1.389 (4)	C255—H255	0.9500
C241—C242	1.395 (3)	C256—H256	0.9500
C242—C243	1.384 (4)	C305—H30A	0.9800
C243—C244	1.370 (4)	C305—H30B	0.9800
C244—C245	1.388 (4)	C305—H30C	0.9800
C245—C246	1.392 (4)	C306—H30D	0.9800
C251—C256	1.386 (3)	C306—H30E	0.9800
C251—C252	1.401 (3)	C306—H30F	0.9800
C252—C253	1.382 (3)	C313—H313	0.9500
C253—C254	1.382 (4)	C314—H314	0.9500
C254—C255	1.382 (4)	C315—H315	0.9500
C255—C256	1.393 (3)	C316—H316	0.9500
P3—C351	1.815 (2)	C320—H320	0.9500
P3—C331	1.818 (2)	C322—H322	0.9500
P3—C341	1.829 (2)	C323—H323	0.9500
N3—C320	1.276 (3)	C324—H324	0.9500
N3—C311	1.436 (3)	C325—H325	0.9500
O301—C303	1.201 (3)	C326—H326	0.9500
O302—C304	1.201 (3)	C332—H332	0.9500
O303—C303	1.334 (3)	C333—H333	0.9500
O303—C305	1.443 (3)	C334—H334	0.9500
O304—C304	1.342 (3)	C335—H335	0.9500
O304—C306	1.444 (3)	C336—H336	0.9500
C301—C303	1.488 (3)	C342—H342	0.9500
C302—C312	1.484 (3)	C343—H343	0.9500
C302—C304	1.506 (3)	C344—H344	0.9500
C311—C316	1.385 (3)	C345—H345	0.9500
C311—C312	1.406 (3)	C346—H346	0.9500
C312—C313	1.401 (3)	C352—H352	0.9500
C313—C314	1.389 (3)	C353—H353	0.9500
C314—C315	1.381 (4)	C354—H354	0.9500
C315—C316	1.394 (3)	C355—H355	0.9500
C320—C321	1.470 (3)	C356—H356	0.9500
C321—C322	1.396 (3)	C405—H40A	0.9800
C321—C326	1.399 (3)	C405—H40B	0.9800
C322—C323	1.380 (3)	C405—H40C	0.9800
C323—C324	1.387 (3)	C406—H40D	0.9800
C324—C325	1.383 (4)	C406—H40E	0.9800
C325—C326	1.383 (3)	C406—H40F	0.9800
C331—C332	1.392 (3)	C413—H413	0.9500
C331—C336	1.402 (3)	C414—H414	0.9500
C332—C333	1.399 (4)	C415—H415	0.9500
C333—C334	1.377 (4)	C416—H416	0.9500
C334—C335	1.384 (4)	C420—H420	0.9500
C335—C336	1.385 (3)	C422—H422	0.9500
C341—C346	1.388 (3)	C423—H423	0.9500
C341—C342	1.395 (3)	C424—H424	0.9500
C342—C343	1.395 (4)	C425—H425	0.9500
C343—C344	1.375 (4)	C426—H426	0.9500
C344—C345	1.383 (4)	C432—H432	0.9500
C345—C346	1.387 (3)	C433—H433	0.9500
C351—C352	1.394 (3)	C434—H434	0.9500
C351—C356	1.397 (3)	C435—H435	0.9500
C352—C353	1.381 (3)	C436—H436	0.9500
C353—C354	1.379 (4)	C442—H442	0.9500
C354—C355	1.376 (4)	C443—H443	0.9500
C355—C356	1.385 (3)	C444—H444	0.9500
P4—C431	1.822 (2)	C445—H445	0.9500
P4—C451	1.823 (2)	C446—H446	0.9500
P4—C441	1.827 (2)	C452—H452	0.9500
N4—C420	1.271 (3)	C453—H453	0.9500
N4—C411	1.438 (3)	C454—H454	0.9500
O401—C403	1.213 (3)	C455—H455	0.9500
O402—C404	1.200 (3)	C456—H456	0.9500
C101—Pd1—N1	82.16 (8)	C434—C433—C432	120.3 (2)
C101—Pd1—P1	93.37 (6)	C435—C434—C433	120.2 (2)
N1—Pd1—P1	165.77 (5)	C434—C435—C436	120.2 (2)
C101—Pd1—I1	168.71 (6)	C435—C436—C431	120.2 (2)
N1—Pd1—I1	88.46 (5)	C446—C441—C442	118.0 (2)
P1—Pd1—I1	94.253 (17)	C446—C441—P4	118.89 (17)
C131—P1—Pd1	108.64 (8)	C442—C441—P4	122.91 (18)
C141—P1—Pd1	120.28 (7)	C443—C442—C441	120.6 (2)
C151—P1—Pd1	112.94 (7)	C444—C443—C442	120.3 (2)
C201—Pd2—N2	81.95 (8)	C443—C444—C445	120.3 (2)
C201—Pd2—P2	93.81 (7)	C444—C445—C446	119.6 (2)
N2—Pd2—P2	175.10 (5)	C445—C446—C441	121.1 (2)
C201—Pd2—I2	170.30 (7)	C452—C451—C456	118.9 (2)
N2—Pd2—I2	89.52 (5)	C452—C451—P4	123.89 (18)
P2—Pd2—I2	94.495 (17)	C456—C451—P4	117.23 (18)
C231—P2—Pd2	114.28 (8)	C453—C452—C451	121.0 (2)
C241—P2—Pd2	115.85 (8)	C454—C453—C452	119.7 (2)
C251—P2—Pd2	112.67 (8)	C455—C454—C453	119.9 (2)
C301—Pd3—N3	82.01 (8)	C454—C455—C456	120.3 (2)
C301—Pd3—P3	91.08 (6)	C455—C456—C451	120.2 (2)
N3—Pd3—P3	170.16 (5)	O103—C105—H10A	109.5
C301—Pd3—I3	168.52 (6)	O103—C105—H10B	109.5
N3—Pd3—I3	87.45 (5)	H10A—C105—H10B	109.5
P3—Pd3—I3	98.796 (17)	O103—C105—H10C	109.5
C331—P3—Pd3	109.98 (7)	H10A—C105—H10C	109.5
C341—P3—Pd3	118.36 (8)	H10B—C105—H10C	109.5
C351—P3—Pd3	114.94 (8)	O104—C106—H10D	109.5
C401—Pd4—N4	82.05 (8)	O104—C106—H10E	109.5
C401—Pd4—P4	95.77 (6)	H10D—C106—H10E	109.5
N4—Pd4—P4	168.13 (5)	O104—C106—H10F	109.5
C401—Pd4—I4	167.88 (7)	H10D—C106—H10F	109.5
N4—Pd4—I4	87.77 (5)	H10E—C106—H10F	109.5
P4—Pd4—I4	92.847 (16)	C114—C113—H113	119.6
C431—P4—Pd4	108.49 (8)	C112—C113—H113	119.6
C441—P4—Pd4	122.76 (7)	C115—C114—H114	120.1
C451—P4—Pd4	113.26 (7)	C113—C114—H114	120.1
C131—P1—C141	101.72 (11)	C116—C115—H115	119.5
C131—P1—C151	105.81 (11)	C114—C115—H115	119.5
C141—P1—C151	106.05 (10)	C115—C116—H116	120.4
C120—N1—C111	121.76 (19)	C111—C116—H116	120.4
C120—N1—Pd1	133.28 (16)	N1—C120—H120	117.9
C111—N1—Pd1	104.35 (13)	C121—C120—H120	117.9
C103—O103—C105	115.30 (19)	C123—C122—H122	120.1
C104—O104—C106	115.5 (2)	C121—C122—H122	120.1
C102—C101—C103	118.4 (2)	C122—C123—H123	119.6
C102—C101—Pd1	117.17 (17)	C124—C123—H123	119.6
C103—C101—Pd1	123.67 (16)	C125—C124—H124	119.9
C101—C102—C112	122.0 (2)	C123—C124—H124	119.9
C101—C102—C104	123.9 (2)	C124—C125—H125	120.2
C112—C102—C104	114.03 (19)	C126—C125—H125	120.2
O101—C103—O103	123.1 (2)	C121—C126—H126	119.7
O101—C103—C101	125.8 (2)	C125—C126—H126	119.7
O103—C103—C101	111.0 (2)	C133—C132—H132	120.1
O102—C104—O104	124.1 (2)	C131—C132—H132	120.1
O102—C104—C102	125.5 (2)	C132—C133—H133	119.6
O104—C104—C102	110.15 (19)	C134—C133—H133	119.6
C116—C111—C112	120.9 (2)	C135—C134—H134	119.9
C116—C111—N1	120.9 (2)	C133—C134—H134	119.9
C112—C111—N1	118.0 (2)	C134—C135—H135	119.9
C113—C112—C111	118.3 (2)	C136—C135—H135	119.9
C113—C112—C102	122.3 (2)	C131—C136—H136	120.3
C111—C112—C102	119.28 (19)	C135—C136—H136	120.3
C114—C113—C112	120.7 (2)	C143—C142—H142	119.7
C115—C114—C113	119.7 (2)	C141—C142—H142	119.7
C116—C115—C114	121.0 (2)	C144—C143—H143	119.8
C115—C116—C111	119.2 (2)	C142—C143—H143	119.8
N1—C120—C121	124.1 (2)	C143—C144—H144	119.9
C126—C121—C122	119.3 (2)	C145—C144—H144	119.9
C126—C121—C120	117.8 (2)	C144—C145—H145	120.2
C122—C121—C120	122.9 (2)	C146—C145—H145	120.2
C123—C122—C121	119.8 (2)	C145—C146—H146	119.5
C122—C123—C124	120.7 (2)	C141—C146—H146	119.5
C125—C124—C123	120.1 (2)	C151—C152—H152	119.9
C124—C125—C126	119.5 (2)	C153—C152—H152	119.9
C121—C126—C125	120.6 (2)	C154—C153—H153	120.0
C136—C131—C132	119.7 (2)	C152—C153—H153	120.0
C136—C131—P1	120.96 (19)	C155—C154—H154	120.0
C132—C131—P1	119.3 (2)	C153—C154—H154	120.0
C133—C132—C131	119.8 (3)	C154—C155—H155	119.7
C132—C133—C134	120.8 (3)	C156—C155—H155	119.7
C135—C134—C133	120.1 (3)	C155—C156—H156	119.8
C134—C135—C136	120.2 (3)	C151—C156—H156	119.8
C131—C136—C135	119.4 (3)	O203—C205—H20A	109.5
C142—C141—C146	118.1 (2)	O203—C205—H20B	109.5
C142—C141—P1	124.02 (18)	H20A—C205—H20B	109.5
C146—C141—P1	117.92 (17)	O203—C205—H20C	109.5
C143—C142—C141	120.6 (2)	H20A—C205—H20C	109.5
C144—C143—C142	120.3 (2)	H20B—C205—H20C	109.5
C143—C144—C145	120.3 (2)	O204—C206—H20D	109.5
C144—C145—C146	119.7 (2)	O204—C206—H20E	109.5
C145—C146—C141	121.1 (2)	H20D—C206—H20E	109.5
C156—C151—C152	119.0 (2)	O204—C206—H20F	109.5
C156—C151—P1	119.00 (19)	H20D—C206—H20F	109.5
C152—C151—P1	121.48 (19)	H20E—C206—H20F	109.5
C151—C152—C153	120.1 (3)	C214—C213—H213	119.4
C154—C153—C152	120.0 (3)	C212—C213—H213	119.4
C155—C154—C153	120.0 (3)	C213—C214—H214	119.9
C154—C155—C156	120.6 (3)	C215—C214—H214	119.9
C155—C156—C151	120.3 (3)	C216—C215—H215	120.1
C251—P2—C231	104.82 (11)	C214—C215—H215	120.1
C251—P2—C241	103.40 (11)	C215—C216—H216	120.0
C231—P2—C241	104.60 (11)	C211—C216—H216	120.0
C220—N2—C211	120.1 (2)	N2—C220—H220	117.3
C220—N2—Pd2	131.22 (16)	C221—C220—H220	117.3
C211—N2—Pd2	108.58 (14)	C223—C222—H222	119.8
C203—O203—C205	116.06 (19)	C221—C222—H222	119.8
C204—O204—C206	115.7 (2)	C222—C223—H223	119.9
C202—C201—C203	118.3 (2)	C224—C223—H223	119.9
C202—C201—Pd2	118.29 (18)	C225—C224—H224	120.1
C203—C201—Pd2	123.07 (17)	C223—C224—H224	120.1
C201—C202—C212	123.4 (2)	C224—C225—H225	119.9
C201—C202—C204	122.3 (2)	C226—C225—H225	119.9
C212—C202—C204	114.3 (2)	C225—C226—H226	120.1
O201—C203—O203	123.1 (2)	C221—C226—H226	120.1
O201—C203—C201	125.8 (2)	C233—C232—H232	119.8
O203—C203—C201	111.0 (2)	C231—C232—H232	119.8
O202—C204—O204	123.9 (2)	C234—C233—H233	119.8
O202—C204—C202	124.5 (2)	C232—C233—H233	119.8
O204—C204—C202	111.4 (2)	C233—C234—H234	120.1
C216—C211—C212	120.9 (2)	C235—C234—H234	120.1
C216—C211—N2	121.2 (2)	C236—C235—H235	120.0
C212—C211—N2	117.9 (2)	C234—C235—H235	120.0
C213—C212—C211	117.8 (2)	C235—C236—H236	119.7
C213—C212—C202	122.3 (2)	C231—C236—H236	119.7
C211—C212—C202	119.7 (2)	C243—C242—H242	119.8
C214—C213—C212	121.2 (3)	C241—C242—H242	119.8
C213—C214—C215	120.2 (2)	C244—C243—H243	119.9
C216—C215—C214	119.9 (2)	C242—C243—H243	119.9
C215—C216—C211	120.0 (2)	C243—C244—H244	119.8
N2—C220—C221	125.3 (2)	C245—C244—H244	119.8
C222—C221—C226	119.4 (2)	C244—C245—H245	120.3
C222—C221—C220	122.3 (2)	C246—C245—H245	120.3
C226—C221—C220	118.3 (2)	C241—C246—H246	119.6
C223—C222—C221	120.3 (2)	C245—C246—H246	119.6
C222—C223—C224	120.2 (2)	C253—C252—H252	119.7
C225—C224—C223	119.9 (2)	C251—C252—H252	119.7
C224—C225—C226	120.2 (2)	C254—C253—H253	119.9
C225—C226—C221	119.9 (2)	C252—C253—H253	119.9
C232—C231—C236	118.7 (2)	C253—C254—H254	120.1
C232—C231—P2	123.33 (19)	C255—C254—H254	120.1
C236—C231—P2	117.95 (18)	C254—C255—H255	119.8
C233—C232—C231	120.3 (2)	C256—C255—H255	119.8
C234—C233—C232	120.4 (2)	C251—C256—H256	119.8
C233—C234—C235	119.9 (3)	C255—C256—H256	119.8
C236—C235—C234	120.1 (3)	O303—C305—H30A	109.5
C235—C236—C231	120.7 (2)	O303—C305—H30B	109.5
C246—C241—C242	118.6 (2)	H30A—C305—H30B	109.5
C246—C241—P2	119.81 (19)	O303—C305—H30C	109.5
C242—C241—P2	121.5 (2)	H30A—C305—H30C	109.5
C243—C242—C241	120.5 (3)	H30B—C305—H30C	109.5
C244—C243—C242	120.3 (3)	O304—C306—H30D	109.5
C243—C244—C245	120.5 (3)	O304—C306—H30E	109.5
C244—C245—C246	119.3 (3)	H30D—C306—H30E	109.5
C241—C246—C245	120.8 (3)	O304—C306—H30F	109.5
C256—C251—C252	118.8 (2)	H30D—C306—H30F	109.5
C256—C251—P2	119.33 (18)	H30E—C306—H30F	109.5
C252—C251—P2	121.85 (18)	C314—C313—H313	119.7
C253—C252—C251	120.6 (2)	C312—C313—H313	119.7
C254—C253—C252	120.2 (2)	C315—C314—H314	119.8
C253—C254—C255	119.8 (2)	C313—C314—H314	119.8
C254—C255—C256	120.3 (2)	C314—C315—H315	119.8
C251—C256—C255	120.3 (2)	C316—C315—H315	119.8
C351—P3—C331	109.27 (11)	C311—C316—H316	120.3
C351—P3—C341	99.55 (11)	C315—C316—H316	120.3
C331—P3—C341	103.71 (11)	N3—C320—H320	118.0
C320—N3—C311	121.50 (19)	C321—C320—H320	118.0
C320—N3—Pd3	131.99 (15)	C323—C322—H322	120.0
C311—N3—Pd3	106.26 (13)	C321—C322—H322	120.0
C303—O303—C305	115.7 (2)	C322—C323—H323	119.8
C304—O304—C306	115.1 (2)	C324—C323—H323	119.8
C302—C301—C303	117.8 (2)	C325—C324—H324	120.0
C302—C301—Pd3	117.13 (18)	C323—C324—H324	120.0
C303—C301—Pd3	124.91 (16)	C326—C325—H325	120.0
C301—C302—C312	122.8 (2)	C324—C325—H325	120.0
C301—C302—C304	122.2 (2)	C325—C326—H326	119.8
C312—C302—C304	114.99 (19)	C321—C326—H326	119.8
O301—C303—O303	123.1 (2)	C331—C332—H332	120.0
O301—C303—C301	125.3 (2)	C333—C332—H332	120.0
O303—C303—C301	111.6 (2)	C334—C333—H333	119.7
O302—C304—O304	124.1 (2)	C332—C333—H333	119.7
O302—C304—C302	124.6 (2)	C333—C334—H334	120.0
O304—C304—C302	111.19 (19)	C335—C334—H334	120.0
C316—C311—C312	121.2 (2)	C334—C335—H335	120.0
C316—C311—N3	121.1 (2)	C336—C335—H335	120.0
C312—C311—N3	117.6 (2)	C335—C336—H336	119.6
C313—C312—C311	118.2 (2)	C331—C336—H336	119.6
C313—C312—C302	122.1 (2)	C343—C342—H342	119.8
C311—C312—C302	119.61 (19)	C341—C342—H342	119.8
C314—C313—C312	120.5 (2)	C344—C343—H343	120.1
C315—C314—C313	120.3 (2)	C342—C343—H343	120.1
C314—C315—C316	120.3 (2)	C343—C344—H344	119.8
C311—C316—C315	119.4 (2)	C345—C344—H344	119.8
N3—C320—C321	124.1 (2)	C344—C345—H345	120.1
C322—C321—C326	119.1 (2)	C346—C345—H345	120.1
C322—C321—C320	122.4 (2)	C345—C346—H346	119.5
C326—C321—C320	118.5 (2)	C341—C346—H346	119.5
C323—C322—C321	120.0 (2)	C353—C352—H352	119.6
C322—C323—C324	120.4 (2)	C351—C352—H352	119.6
C325—C324—C323	120.0 (2)	C354—C353—H353	120.0
C326—C325—C324	120.0 (2)	C352—C353—H353	120.0
C325—C326—C321	120.4 (2)	C355—C354—H354	120.0
C332—C331—C336	118.8 (2)	C353—C354—H354	120.0
C332—C331—P3	124.80 (19)	C354—C355—H355	119.7
C336—C331—P3	116.36 (18)	C356—C355—H355	119.7
C331—C332—C333	119.9 (2)	C355—C356—H356	120.1
C334—C333—C332	120.5 (3)	C351—C356—H356	120.1
C333—C334—C335	120.0 (3)	O403—C405—H40A	109.5
C334—C335—C336	120.0 (3)	O403—C405—H40B	109.5
C335—C336—C331	120.7 (2)	H40A—C405—H40B	109.5
C346—C341—C342	118.5 (2)	O403—C405—H40C	109.5
C346—C341—P3	117.88 (18)	H40A—C405—H40C	109.5
C342—C341—P3	123.5 (2)	H40B—C405—H40C	109.5
C343—C342—C341	120.5 (3)	O404—C406—H40D	109.5
C344—C343—C342	119.9 (3)	O404—C406—H40E	109.5
C343—C344—C345	120.3 (3)	H40D—C406—H40E	109.5
C344—C345—C346	119.8 (3)	O404—C406—H40F	109.5
C345—C346—C341	120.9 (3)	H40D—C406—H40F	109.5
C352—C351—C356	118.8 (2)	H40E—C406—H40F	109.5
C352—C351—P3	121.00 (19)	C414—C413—H413	119.6
C356—C351—P3	119.65 (18)	C412—C413—H413	119.6
C353—C352—C351	120.7 (3)	C413—C414—H414	119.8
C354—C353—C352	119.9 (3)	C415—C414—H414	119.8
C355—C354—C353	120.0 (2)	C416—C415—H415	120.0
C354—C355—C356	120.6 (3)	C414—C415—H415	120.0
C355—C356—C351	119.9 (2)	C411—C416—H416	120.1
C431—P4—C451	107.73 (10)	C415—C416—H416	120.1
C431—P4—C441	100.63 (10)	N4—C420—H420	117.7
C451—P4—C441	102.56 (10)	C421—C420—H420	117.7
C420—N4—C411	121.34 (19)	C423—C422—H422	120.0
C420—N4—Pd4	133.17 (16)	C421—C422—H422	120.0
C411—N4—Pd4	105.17 (13)	C424—C423—H423	119.9
C403—O403—C405	112.4 (2)	C422—C423—H423	119.9
C404—O404—C406	114.91 (19)	C425—C424—H424	119.9
C402—C401—C403	117.9 (2)	C423—C424—H424	119.9
C402—C401—Pd4	117.27 (18)	C424—C425—H425	120.0
C403—C401—Pd4	124.25 (18)	C426—C425—H425	120.0
C401—C402—C412	122.5 (2)	C425—C426—H426	119.8
C401—C402—C404	123.7 (2)	C421—C426—H426	119.8
C412—C402—C404	113.8 (2)	C433—C432—H432	120.0
O401—C403—O403	122.4 (2)	C431—C432—H432	120.0
O401—C403—C401	125.5 (3)	C434—C433—H433	119.9
O403—C403—C401	112.1 (2)	C432—C433—H433	119.9
O402—C404—O404	124.7 (2)	C435—C434—H434	119.9
O402—C404—C402	124.3 (2)	C433—C434—H434	119.9
O404—C404—C402	110.68 (19)	C434—C435—H435	119.9
C416—C411—C412	121.1 (2)	C436—C435—H435	119.9
C416—C411—N4	121.0 (2)	C435—C436—H436	119.9
C412—C411—N4	117.8 (2)	C431—C436—H436	119.9
C413—C412—C411	117.8 (2)	C443—C442—H442	119.7
C413—C412—C402	122.6 (2)	C441—C442—H442	119.7
C411—C412—C402	119.5 (2)	C444—C443—H443	119.8
C414—C413—C412	120.9 (2)	C442—C443—H443	119.8
C413—C414—C415	120.4 (2)	C443—C444—H444	119.8
C416—C415—C414	120.1 (2)	C445—C444—H444	119.8
C411—C416—C415	119.7 (2)	C444—C445—H445	120.2
N4—C420—C421	124.6 (2)	C446—C445—H445	120.2
C422—C421—C426	119.4 (2)	C445—C446—H446	119.4
C422—C421—C420	122.6 (2)	C441—C446—H446	119.4
C426—C421—C420	118.0 (2)	C453—C452—H452	119.5
C423—C422—C421	120.0 (2)	C451—C452—H452	119.5
C424—C423—C422	120.2 (2)	C454—C453—H453	120.1
C425—C424—C423	120.2 (2)	C452—C453—H453	120.1
C424—C425—C426	120.0 (2)	C455—C454—H454	120.1
C425—C426—C421	120.3 (2)	C453—C454—H454	120.1
C436—C431—C432	119.2 (2)	C454—C455—H455	119.8
C436—C431—P4	120.24 (17)	C456—C455—H455	119.8
C432—C431—P4	120.33 (18)	C455—C456—H456	119.9
C433—C432—C431	119.9 (2)	C451—C456—H456	119.9
I1—Pd1—P1—C131	−87.82 (8)	C242—C241—C246—C245	1.5 (4)
I1—Pd1—P1—C141	155.74 (9)	P2—C241—C246—C245	−174.9 (2)
I1—Pd1—P1—C151	29.24 (9)	C244—C245—C246—C241	0.3 (4)
Pd1—P1—C131—C132	−174.63 (19)	C231—P2—C251—C256	−111.6 (2)
Pd1—P1—C141—C142	−111.48 (19)	C241—P2—C251—C256	139.1 (2)
Pd1—P1—C151—C152	−110.40 (18)	Pd2—P2—C251—C256	13.2 (2)
C102—C101—C103—O101	17.2 (3)	C231—P2—C251—C252	65.3 (2)
C101—C102—C104—O102	−95.5 (3)	C241—P2—C251—C252	−44.0 (2)
I2—Pd2—P2—C231	−165.59 (9)	C256—C251—C252—C253	2.3 (4)
I2—Pd2—P2—C241	−43.87 (9)	P2—C251—C252—C253	−174.7 (2)
I2—Pd2—P2—C251	74.91 (9)	C251—C252—C253—C254	−0.6 (4)
Pd2—P2—C231—C232	−128.6 (2)	C252—C253—C254—C255	−1.0 (5)
Pd2—P2—C241—C242	−93.2 (2)	C253—C254—C255—C256	1.0 (4)
Pd2—P2—C251—C252	−169.81 (19)	C252—C251—C256—C255	−2.3 (4)
C202—C201—C203—O201	17.3 (4)	P2—C251—C256—C255	174.7 (2)
C201—C202—C204—O202	−97.0 (3)	C254—C255—C256—C251	0.7 (4)
I3—Pd3—P3—C331	−148.06 (8)	C301—Pd3—P3—C351	−97.74 (11)
I3—Pd3—P3—C341	−29.18 (9)	C301—Pd3—P3—C331	26.05 (11)
I3—Pd3—P3—C351	88.14 (9)	C301—Pd3—P3—C341	144.93 (11)
Pd3—P3—C331—C332	−125.79 (19)	C301—Pd3—N3—C320	113.6 (2)
Pd3—P3—C341—C342	−108.0 (2)	I3—Pd3—N3—C320	−71.0 (2)
Pd3—P3—C351—C352	−179.46 (19)	C301—Pd3—N3—C311	−72.26 (15)
C302—C301—C303—O301	13.1 (4)	I3—Pd3—N3—C311	103.17 (13)
C301—C302—C304—O302	−94.4 (3)	N3—Pd3—C301—C302	48.12 (17)
I4—Pd4—P4—C431	−80.69 (8)	P3—Pd3—C301—C302	−124.85 (17)
I4—Pd4—P4—C441	162.79 (9)	N3—Pd3—C301—C303	−127.22 (19)
I4—Pd4—P4—C451	38.86 (8)	P3—Pd3—C301—C303	59.81 (18)
Pd4—P4—C431—C432	−174.12 (17)	C303—C301—C302—C312	171.96 (19)
Pd4—P4—C441—C442	−129.76 (17)	Pd3—C301—C302—C312	−3.7 (3)
Pd4—P4—C451—C452	−113.42 (18)	C303—C301—C302—C304	−8.9 (3)
C402—C401—C403—O401	9.4 (4)	Pd3—C301—C302—C304	175.42 (16)
C401—C402—C404—O402	−90.4 (3)	C305—O303—C303—O301	0.2 (4)
C101—Pd1—P1—C131	83.85 (10)	C305—O303—C303—C301	178.3 (2)
C101—Pd1—P1—C141	−32.59 (11)	Pd3—C301—C303—O301	−171.57 (19)
C101—Pd1—P1—C151	−159.09 (11)	C302—C301—C303—O303	−164.9 (2)
C101—Pd1—N1—C120	116.1 (2)	Pd3—C301—C303—O303	10.4 (3)
I1—Pd1—N1—C120	−70.2 (2)	C306—O304—C304—O302	9.3 (4)
C101—Pd1—N1—C111	−73.15 (15)	C306—O304—C304—C302	−174.6 (2)
I1—Pd1—N1—C111	100.56 (13)	C312—C302—C304—O302	84.8 (3)
N1—Pd1—C101—C102	48.52 (17)	C301—C302—C304—O304	89.6 (3)
P1—Pd1—C101—C102	−117.91 (17)	C312—C302—C304—O304	−91.2 (2)
N1—Pd1—C101—C103	−121.01 (18)	C320—N3—C311—C316	53.4 (3)
P1—Pd1—C101—C103	72.56 (17)	Pd3—N3—C311—C316	−121.49 (19)
C103—C101—C102—C112	167.51 (19)	C320—N3—C311—C312	−130.6 (2)
Pd1—C101—C102—C112	−2.6 (3)	Pd3—N3—C311—C312	54.5 (2)
C103—C101—C102—C104	−9.0 (3)	C316—C311—C312—C313	−0.5 (3)
Pd1—C101—C102—C104	−179.13 (16)	N3—C311—C312—C313	−176.46 (19)
C105—O103—C103—O101	0.5 (3)	C316—C311—C312—C302	−177.7 (2)
C105—O103—C103—C101	177.49 (19)	N3—C311—C312—C302	6.4 (3)
Pd1—C101—C103—O101	−173.42 (18)	C301—C302—C312—C313	144.9 (2)
C102—C101—C103—O103	−159.73 (19)	C304—C302—C312—C313	−34.3 (3)
Pd1—C101—C103—O103	9.7 (3)	C301—C302—C312—C311	−38.1 (3)
C106—O104—C104—O102	5.3 (4)	C304—C302—C312—C311	142.7 (2)
C106—O104—C104—C102	179.5 (2)	C311—C312—C313—C314	1.5 (3)
C112—C102—C104—O102	87.7 (3)	C302—C312—C313—C314	178.6 (2)
C101—C102—C104—O104	90.4 (3)	C312—C313—C314—C315	−1.7 (4)
C112—C102—C104—O104	−86.4 (2)	C313—C314—C315—C316	0.9 (4)
C120—N1—C111—C116	53.0 (3)	C312—C311—C316—C315	−0.3 (3)
Pd1—N1—C111—C116	−119.08 (19)	N3—C311—C316—C315	175.5 (2)
C120—N1—C111—C112	−132.1 (2)	C314—C315—C316—C311	0.1 (4)
Pd1—N1—C111—C112	55.8 (2)	C311—N3—C320—C321	178.4 (2)
C116—C111—C112—C113	−1.7 (3)	Pd3—N3—C320—C321	−8.2 (4)
N1—C111—C112—C113	−176.57 (19)	N3—C320—C321—C322	−25.2 (4)
C116—C111—C112—C102	−179.5 (2)	N3—C320—C321—C326	156.9 (2)
N1—C111—C112—C102	5.6 (3)	C326—C321—C322—C323	−1.0 (3)
C101—C102—C112—C113	143.1 (2)	C320—C321—C322—C323	−178.9 (2)
C104—C102—C112—C113	−40.0 (3)	C321—C322—C323—C324	0.1 (4)
C101—C102—C112—C111	−39.1 (3)	C322—C323—C324—C325	0.3 (4)
C104—C102—C112—C111	137.7 (2)	C323—C324—C325—C326	0.2 (4)
C111—C112—C113—C114	2.5 (3)	C324—C325—C326—C321	−1.1 (4)
C102—C112—C113—C114	−179.8 (2)	C322—C321—C326—C325	1.5 (4)
C112—C113—C114—C115	−1.1 (4)	C320—C321—C326—C325	179.4 (2)
C113—C114—C115—C116	−1.1 (4)	C351—P3—C331—C332	1.2 (2)
C114—C115—C116—C111	1.8 (4)	C341—P3—C331—C332	106.7 (2)
C112—C111—C116—C115	−0.4 (3)	C351—P3—C331—C336	178.64 (17)
N1—C111—C116—C115	174.3 (2)	C341—P3—C331—C336	−75.92 (19)
C111—N1—C120—C121	−178.9 (2)	Pd3—P3—C331—C336	51.60 (19)
Pd1—N1—C120—C121	−9.4 (4)	C336—C331—C332—C333	0.5 (3)
N1—C120—C121—C126	163.8 (2)	P3—C331—C332—C333	177.86 (19)
N1—C120—C121—C122	−16.3 (4)	C331—C332—C333—C334	0.2 (4)
C126—C121—C122—C123	−0.9 (4)	C332—C333—C334—C335	−0.4 (4)
C120—C121—C122—C123	179.2 (2)	C333—C334—C335—C336	−0.1 (4)
C121—C122—C123—C124	0.1 (4)	C334—C335—C336—C331	0.9 (4)
C122—C123—C124—C125	0.6 (4)	C332—C331—C336—C335	−1.0 (4)
C123—C124—C125—C126	−0.4 (4)	P3—C331—C336—C335	−178.59 (19)
C122—C121—C126—C125	1.0 (4)	C351—P3—C341—C346	−50.8 (2)
C120—C121—C126—C125	−179.0 (2)	C331—P3—C341—C346	−163.4 (2)
C124—C125—C126—C121	−0.4 (4)	Pd3—P3—C341—C346	74.5 (2)
C141—P1—C131—C136	133.9 (2)	C351—P3—C341—C342	126.7 (2)
C151—P1—C131—C136	−115.5 (2)	C331—P3—C341—C342	14.1 (2)
Pd1—P1—C131—C136	6.0 (2)	C346—C341—C342—C343	−2.5 (4)
C141—P1—C131—C132	−46.8 (2)	P3—C341—C342—C343	−179.9 (2)
C151—P1—C131—C132	63.8 (2)	C341—C342—C343—C344	0.7 (4)
C136—C131—C132—C133	1.9 (4)	C342—C343—C344—C345	1.7 (4)
P1—C131—C132—C133	−177.5 (2)	C343—C344—C345—C346	−2.2 (4)
C131—C132—C133—C134	−0.6 (5)	C344—C345—C346—C341	0.4 (4)
C132—C133—C134—C135	−1.1 (5)	C342—C341—C346—C345	1.9 (4)
C133—C134—C135—C136	1.5 (5)	P3—C341—C346—C345	179.5 (2)
C132—C131—C136—C135	−1.5 (4)	C331—P3—C351—C352	56.4 (2)
P1—C131—C136—C135	177.9 (2)	C341—P3—C351—C352	−51.9 (2)
C134—C135—C136—C131	−0.2 (4)	C331—P3—C351—C356	−132.2 (2)
C131—P1—C141—C142	128.6 (2)	C341—P3—C351—C356	119.5 (2)
C151—P1—C141—C142	18.1 (2)	Pd3—P3—C351—C356	−8.0 (2)
C131—P1—C141—C146	−51.6 (2)	C356—C351—C352—C353	1.2 (4)
C151—P1—C141—C146	−162.04 (18)	P3—C351—C352—C353	172.7 (2)
Pd1—P1—C141—C146	68.34 (19)	C351—C352—C353—C354	−1.0 (4)
C146—C141—C142—C143	−0.2 (3)	C352—C353—C354—C355	0.4 (4)
P1—C141—C142—C143	179.60 (19)	C353—C354—C355—C356	0.0 (4)
C141—C142—C143—C144	0.4 (4)	C354—C355—C356—C351	0.2 (4)
C142—C143—C144—C145	0.1 (4)	C352—C351—C356—C355	−0.8 (4)
C143—C144—C145—C146	−0.7 (4)	P3—C351—C356—C355	−172.4 (2)
C144—C145—C146—C141	1.0 (4)	C401—Pd4—P4—C431	90.78 (10)
C142—C141—C146—C145	−0.5 (3)	C401—Pd4—P4—C451	−149.67 (11)
P1—C141—C146—C145	179.70 (18)	C401—Pd4—P4—C441	−25.74 (11)
C131—P1—C151—C156	179.72 (19)	C401—Pd4—N4—C420	113.8 (2)
C141—P1—C151—C156	−72.8 (2)	I4—Pd4—N4—C420	−72.8 (2)
Pd1—P1—C151—C156	61.0 (2)	C401—Pd4—N4—C411	−72.87 (15)
C131—P1—C151—C152	8.3 (2)	I4—Pd4—N4—C411	100.54 (13)
C141—P1—C151—C152	115.8 (2)	N4—Pd4—C401—C402	48.20 (17)
C156—C151—C152—C153	0.5 (3)	P4—Pd4—C401—C402	−120.04 (17)
P1—C151—C152—C153	171.91 (19)	N4—Pd4—C401—C403	−122.63 (19)
C151—C152—C153—C154	0.8 (4)	P4—Pd4—C401—C403	69.13 (19)
C152—C153—C154—C155	−0.6 (4)	C403—C401—C402—C412	168.1 (2)
C153—C154—C155—C156	−0.9 (4)	Pd4—C401—C402—C412	−3.3 (3)
C154—C155—C156—C151	2.1 (4)	C403—C401—C402—C404	−10.1 (3)
C152—C151—C156—C155	−2.0 (3)	Pd4—C401—C402—C404	178.52 (16)
P1—C151—C156—C155	−173.56 (19)	C405—O403—C403—O401	6.8 (4)
C201—Pd2—P2—C251	−110.11 (11)	C405—O403—C403—C401	−175.1 (2)
C201—Pd2—P2—C231	9.39 (11)	Pd4—C401—C403—O401	−179.8 (2)
C201—Pd2—P2—C241	131.12 (11)	C402—C401—C403—O403	−168.6 (2)
C201—Pd2—N2—C220	113.1 (2)	Pd4—C401—C403—O403	2.2 (3)
I2—Pd2—N2—C220	−71.5 (2)	C406—O404—C404—O402	5.6 (4)
C201—Pd2—N2—C211	−70.01 (16)	C406—O404—C404—C402	179.5 (2)
I2—Pd2—N2—C211	105.35 (14)	C401—C402—C404—O404	95.6 (3)
N2—Pd2—C201—C202	47.04 (19)	C412—C402—C404—O404	−82.7 (2)
P2—Pd2—C201—C202	−130.49 (18)	C420—N4—C411—C416	54.6 (3)
N2—Pd2—C201—C203	−126.5 (2)	Pd4—N4—C411—C416	−119.75 (19)
P2—Pd2—C201—C203	55.93 (19)	C420—N4—C411—C412	−129.1 (2)
C203—C201—C202—C212	168.7 (2)	Pd4—N4—C411—C412	56.6 (2)
Pd2—C201—C202—C212	−5.2 (3)	C416—C411—C412—C413	−2.6 (3)
C203—C201—C202—C204	−9.6 (4)	N4—C411—C412—C413	−178.87 (19)
Pd2—C201—C202—C204	176.49 (18)	C416—C411—C412—C402	−179.5 (2)
C205—O203—C203—O201	0.1 (4)	N4—C411—C412—C402	4.2 (3)
C205—O203—C203—C201	178.6 (2)	C401—C402—C412—C413	146.1 (2)
Pd2—C201—C203—O201	−169.1 (2)	C404—C402—C412—C413	−35.6 (3)
C202—C201—C203—O203	−161.2 (2)	C401—C402—C412—C411	−37.2 (3)
Pd2—C201—C203—O203	12.4 (3)	C404—C402—C412—C411	141.2 (2)
C206—O204—C204—O202	11.8 (4)	C411—C412—C413—C414	3.1 (3)
C206—O204—C204—C202	−172.5 (2)	C402—C412—C413—C414	179.9 (2)
C201—C202—C204—O204	87.2 (3)	C412—C413—C414—C415	−1.5 (4)
C212—C202—C204—O202	84.6 (3)	C412—C402—C404—O402	91.3 (3)
C212—C202—C204—O204	−91.2 (2)	C413—C414—C415—C416	−0.7 (4)
C220—N2—C211—C216	52.0 (3)	C412—C411—C416—C415	0.5 (3)
Pd2—N2—C211—C216	−125.3 (2)	N4—C411—C416—C415	176.6 (2)
C220—N2—C211—C212	−129.9 (2)	C414—C415—C416—C411	1.2 (3)
Pd2—N2—C211—C212	52.8 (2)	C411—N4—C420—C421	178.8 (2)
C216—C211—C212—C213	0.0 (4)	Pd4—N4—C420—C421	−8.7 (4)
N2—C211—C212—C213	−178.2 (2)	N4—C420—C421—C422	−19.1 (4)
C216—C211—C212—C202	−175.7 (2)	N4—C420—C421—C426	162.6 (2)
N2—C211—C212—C202	6.1 (3)	C426—C421—C422—C423	−0.5 (4)
C201—C202—C212—C213	148.9 (3)	C420—C421—C422—C423	−178.8 (2)
C204—C202—C212—C213	−32.7 (3)	C421—C422—C423—C424	0.0 (4)
C201—C202—C212—C211	−35.7 (4)	C422—C423—C424—C425	0.2 (4)
C204—C202—C212—C211	142.8 (2)	C423—C424—C425—C426	0.2 (4)
C211—C212—C213—C214	0.9 (4)	C424—C425—C426—C421	−0.7 (4)
C202—C212—C213—C214	176.4 (2)	C422—C421—C426—C425	0.8 (4)
C212—C213—C214—C215	−1.5 (4)	C420—C421—C426—C425	179.2 (2)
C213—C214—C215—C216	1.1 (4)	C451—P4—C431—C436	−122.4 (2)
C214—C215—C216—C211	−0.3 (4)	C441—P4—C431—C436	130.6 (2)
C212—C211—C216—C215	−0.2 (4)	Pd4—P4—C431—C436	0.6 (2)
N2—C211—C216—C215	177.9 (2)	C451—P4—C431—C432	62.9 (2)
C211—N2—C220—C221	176.5 (2)	C441—P4—C431—C432	−44.1 (2)
Pd2—N2—C220—C221	−6.9 (4)	C436—C431—C432—C433	1.5 (4)
N2—C220—C221—C222	−25.2 (4)	P4—C431—C432—C433	176.30 (19)
N2—C220—C221—C226	157.5 (2)	C431—C432—C433—C434	−1.2 (4)
C226—C221—C222—C223	−1.3 (4)	C432—C433—C434—C435	0.3 (4)
C220—C221—C222—C223	−178.6 (2)	C433—C434—C435—C436	0.3 (4)
C221—C222—C223—C224	0.1 (4)	C434—C435—C436—C431	−0.1 (4)
C222—C223—C224—C225	0.4 (4)	C432—C431—C436—C435	−0.9 (4)
C223—C224—C225—C226	0.3 (4)	P4—C431—C436—C435	−175.66 (19)
C224—C225—C226—C221	−1.5 (4)	C431—P4—C441—C446	−65.50 (19)
C222—C221—C226—C225	2.0 (4)	C451—P4—C441—C446	−176.55 (17)
C220—C221—C226—C225	179.4 (2)	Pd4—P4—C441—C446	54.8 (2)
C251—P2—C231—C232	−4.8 (2)	C431—P4—C441—C442	109.9 (2)
C241—P2—C231—C232	103.7 (2)	C451—P4—C441—C442	−1.1 (2)
C251—P2—C231—C236	172.70 (19)	C446—C441—C442—C443	−0.2 (3)
C241—P2—C231—C236	−78.8 (2)	P4—C441—C442—C443	−175.67 (18)
Pd2—P2—C231—C236	48.9 (2)	C441—C442—C443—C444	0.2 (4)
C236—C231—C232—C233	0.3 (4)	C442—C443—C444—C445	0.1 (4)
P2—C231—C232—C233	177.8 (2)	C443—C444—C445—C446	−0.3 (4)
C231—C232—C233—C234	0.2 (4)	C444—C445—C446—C441	0.3 (3)
C232—C233—C234—C235	−0.2 (4)	C442—C441—C446—C445	−0.1 (3)
C233—C234—C235—C236	−0.3 (5)	P4—C441—C446—C445	175.59 (17)
C234—C235—C236—C231	0.8 (4)	C431—P4—C451—C452	6.6 (2)
C232—C231—C236—C235	−0.8 (4)	C441—P4—C451—C452	112.2 (2)
P2—C231—C236—C235	−178.4 (2)	C431—P4—C451—C456	−174.09 (18)
C251—P2—C241—C246	−40.6 (2)	C441—P4—C451—C456	−68.5 (2)
C231—P2—C241—C246	−150.1 (2)	Pd4—P4—C451—C456	65.92 (19)
Pd2—P2—C241—C246	83.1 (2)	C456—C451—C452—C453	0.5 (3)
C251—P2—C241—C242	143.1 (2)	P4—C451—C452—C453	179.79 (18)
C231—P2—C241—C242	33.6 (2)	C451—C452—C453—C454	1.8 (4)
C246—C241—C242—C243	−2.1 (4)	C452—C453—C454—C455	−1.7 (4)
P2—C241—C242—C243	174.2 (2)	C453—C454—C455—C456	−0.6 (4)
C241—C242—C243—C244	0.9 (4)	C454—C455—C456—C451	2.9 (4)
C242—C243—C244—C245	0.9 (4)	C452—C451—C456—C455	−2.8 (4)
C243—C244—C245—C246	−1.5 (4)	P4—C451—C456—C455	177.85 (19)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
C154—H154···O401^i	0.95	2.44	3.325 (3)	155
C254—H254···O402^i	0.95	2.49	3.334 (3)	148
C313—H313···O302^ii	0.95	2.42	3.170 (3)	136
C354—H354···O102^iii	0.95	2.59	3.536 (3)	174
C454—H454···O301^iii	0.95	2.45	3.088 (3)	124
C133—H133···I3^iv	0.95	2.99	3.805 (3)	145
C444—H444···I1^v	0.95	2.99	3.780 (2)	141

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