A Pd₄Br₄ macrocycle trapped by cocrystallization from a highly dynamic equilibrium of η³-cyclo­hepta­trienide complexes

In the coordination chemistry of palladium, dimers bridged via halides are a common motif. Higher oligomers, however, are still rare. We report the structure of an alternating eight-membered [Pd₄Br₄]⁴⁻ ring framed by cyclo­hepta­trienide ligands, which was ob­tained by cocrystallization of dimers and tetra­mers of the complex salt brom­ido­{η³-[3-(2,6-diiso­propyl­phen­yl)imidazolium-1-yl]cyclo­hepta­trienido}palladium(II) tetra­fluoro­borate, namely bis[di-μ-bromido-bis­({η³-[3-(2,6-diiso­propyl­phen­yl)imid­azolium-1-yl]cyclo­hepta­trienido}palladium(II))] cyclo-tetra-μ-bromido-tetra­kis({η³-[3-(2,6-diiso­propyl­phen­yl)imidazolium-1-yl]cyclo­hepta­trienido}palladium(II)) octakis(tetra­fluoro­borate) di­chloro­methane octa­solvate, [Pd₄Br₄(C₂₂H₂₆N₂)₄][Pd₂Br₂(C₂₂H₂₆N₂)₂]₂(BF₄)₈·8CH₂Cl₂. These dimers and tetra­mers form a highly dynamic equilibrium in solution which was studied by low-temperature NMR spectroscopy. In the light of the presented results, tetra­meric Pd^II species can be assumed to co-exist as a second species in many cases where by current knowledge only a dimeric compound would be expected.

Computing details

Data collection: APEX2 (Bruker, 2013); cell refinement: SAINT (Bruker, 2012); data reduction: SAINT (Bruker, 2012); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015) and SHELXLE (Hübschle et al., 2011); molecular graphics: Mercury (Macrae et al., 2008); software used to prepare material for publication: PLATON (Spek, 2009), enCIFer (Allen et al., 2004) and publCIF (Westrip, 2010).

Bis[di-µ-bromido-bis({η³-[3-(2,6-diisopropylphenyl)imidazolium-1-yl]cycloheptatrienido}palladium(II))] cyclo-tetra-µ-bromido-tetrakis({η³-[3-(2,6-diisopropylphenyl)imidazolium-1-yl]cycloheptatrienido}palladium(II)) octakis(tetrafluoroborate) dichloromethane octasolvate

Crystal data

[Pd4Br4(C22H26N2)4][Pd2Br2(C22H26N2)2]2(BF4)8·8CH2Cl2	Z = 1
Mr = 5411.87	F(000) = 2688
Triclinic, P1	Dx = 1.634 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 15.7247 (4) Å	Cell parameters from 9553 reflections
b = 18.8101 (5) Å	θ = 2.2–28.3°
c = 19.1726 (5) Å	µ = 2.36 mm^−1
α = 78.2025 (13)°	T = 123 K
β = 82.7526 (14)°	Rhombus, red-orange
γ = 85.7404 (12)°	0.30 × 0.13 × 0.07 mm
V = 5499.9 (2) Å^3

Data collection

Bruker APEXII CCD diffractometer	22490 independent reflections
Radiation source: rotating anode FR591	18569 reflections with i > 2σ(i)
MONTEL optic monochromator	Rint = 0.037
Detector resolution: 16 pixels mm^-1	θmax = 26.4°, θmin = 1.7°
phi– and ω–rotation scans	h = −19→19
Absorption correction: multi-scan (SADABS; Bruker, 2012)	k = −23→23
Tmin = 0.657, Tmax = 0.746	l = −23→23
127005 measured reflections

Refinement

Refinement on F^2	279 restraints
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.030	H-atom parameters constrained
wR(F^2) = 0.080	W = 1/[Σ^2(FO^2) + (0.0387P)^2 + 7.2466P] WHERE P = (FO^2 + 2FC^2)/3
S = 1.03	(Δ/σ)max = 0.002
22490 reflections	Δρmax = 0.77 e Å^−3
1343 parameters	Δρmin = −1.57 e Å^−3

Special details

Experimental. Diffractometer operator C. Jandl scanspeed 20 s per frame dx 40 mm 2666 frames measured in 7 data sets phi-scans with delta_phi = 0.5 omega-scans with delta_omega = 0.5

Geometry. Bond distances, angles etc. have been calculated using the rounded fractional coordinates. All su's are estimated from the variances of the (full) variance-covariance matrix. The cell esds are taken into account in the estimation of distances, angles and torsion angles

Refinement. Refinement on F² for ALL reflections except those flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The observed criterion of F² > 2sigma(F²) is used only for calculating -R-factor-obs etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.

Solution and refinements were carried out with the programs APEXII (Bruker, 2013) and SHELXL2014 (Sheldrick, 2008) in conjunction with SHELXLE (Huebschle et al., 2011). The space group assignment was based on systematic absences, E statistics and successful refinement of the structure.

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

	x	y	z	Uiso*/Ueq	Occ. (<1)
Pd3	0.66119 (2)	0.42953 (2)	0.40095 (2)	0.0192 (1)
Pd4	0.43710 (2)	0.47527 (2)	0.41623 (2)	0.0199 (1)
Pd1	−0.00702 (2)	0.07650 (2)	0.52557 (2)	0.0215 (1)
Pd2	0.17803 (2)	0.08499 (2)	0.57060 (2)	0.0213 (1)
Br3	0.58000 (2)	0.41351 (2)	0.52503 (2)	0.0216 (1)
Br4	0.56628 (2)	0.52501 (2)	0.32894 (2)	0.0259 (1)
Br1	0.13776 (2)	0.08885 (2)	0.44532 (2)	0.0235 (1)
Br2	0.05996 (2)	−0.00107 (2)	0.63265 (2)	0.0241 (1)
N1	0.44576 (15)	0.26088 (12)	0.59604 (13)	0.0200 (7)
N2	0.52634 (16)	0.20298 (13)	0.67481 (14)	0.0226 (8)
N3	0.80750 (16)	0.54455 (12)	0.24949 (13)	0.0215 (8)
N4	0.80248 (17)	0.59689 (13)	0.13873 (13)	0.0250 (8)
C45	0.7612 (2)	0.36138 (16)	0.36815 (18)	0.0265 (10)
C46	0.7686 (2)	0.36029 (16)	0.44068 (18)	0.0271 (9)
C47	0.8207 (2)	0.40532 (16)	0.46912 (17)	0.0276 (10)
C48	0.8638 (2)	0.46494 (18)	0.43511 (18)	0.0293 (10)
C49	0.8596 (2)	0.50389 (17)	0.36311 (17)	0.0255 (9)
C50	0.81262 (19)	0.48900 (15)	0.31361 (16)	0.0215 (8)
C51	0.76251 (19)	0.42696 (15)	0.31539 (16)	0.0231 (9)
C52	0.8121 (2)	0.53307 (16)	0.18285 (16)	0.0243 (9)
C53	0.7946 (2)	0.61905 (16)	0.24730 (17)	0.0276 (10)
C54	0.7912 (2)	0.65094 (16)	0.17843 (18)	0.0308 (10)
C55	0.8090 (2)	0.60635 (16)	0.06096 (16)	0.0277 (10)
C56	0.8894 (2)	0.61818 (16)	0.02290 (17)	0.0291 (10)
C57	0.8948 (2)	0.62411 (19)	−0.05141 (18)	0.0352 (11)
C58	0.8232 (2)	0.6186 (2)	−0.08400 (19)	0.0402 (11)
C59	0.7440 (3)	0.6088 (2)	−0.0444 (2)	0.0438 (14)
C60	0.7344 (2)	0.6034 (2)	0.02977 (19)	0.0385 (11)
C61	0.9685 (2)	0.62667 (18)	0.05801 (18)	0.0338 (11)
C62	1.0428 (3)	0.5745 (2)	0.0389 (2)	0.0427 (12)
C63	0.9939 (3)	0.7062 (2)	0.0382 (2)	0.0480 (16)
C64	0.6450 (3)	0.5995 (3)	0.0716 (2)	0.0551 (14)
C65	0.5995 (4)	0.5339 (3)	0.0626 (3)	0.084 (2)
C66	0.5925 (3)	0.6697 (3)	0.0490 (3)	0.084 (2)
C67	0.3401 (2)	0.41265 (16)	0.40469 (18)	0.0266 (10)
C68	0.4154 (2)	0.38264 (16)	0.37020 (18)	0.0269 (10)
C69	0.4636 (2)	0.31671 (16)	0.39860 (17)	0.0252 (10)
C70	0.46150 (19)	0.27979 (15)	0.46673 (17)	0.0237 (9)
C71	0.42026 (18)	0.30333 (15)	0.52936 (16)	0.0200 (8)
C72	0.36840 (18)	0.36338 (15)	0.53514 (17)	0.0208 (8)
C73	0.33192 (19)	0.41416 (15)	0.47872 (17)	0.0242 (9)
C74	0.52562 (19)	0.23460 (14)	0.60606 (16)	0.0208 (9)
C75	0.3943 (2)	0.24536 (16)	0.66075 (17)	0.0255 (9)
C76	0.44439 (19)	0.20930 (16)	0.70977 (18)	0.0263 (9)
C77	0.60214 (19)	0.17501 (16)	0.70999 (16)	0.0239 (9)
C78	0.6465 (2)	0.22460 (17)	0.73475 (17)	0.0266 (10)
C79	0.7153 (2)	0.19635 (19)	0.77255 (18)	0.0329 (11)
C80	0.7383 (2)	0.12301 (19)	0.78378 (18)	0.0344 (11)
C81	0.6944 (2)	0.07637 (19)	0.7572 (2)	0.0372 (11)
C82	0.6241 (2)	0.10085 (17)	0.71948 (19)	0.0315 (10)
C83	0.6207 (2)	0.30592 (18)	0.72321 (19)	0.0330 (11)
C84	0.6972 (3)	0.3524 (2)	0.6957 (2)	0.0507 (16)
C85	0.5720 (3)	0.3246 (2)	0.7920 (2)	0.0558 (16)
C86	0.5765 (3)	0.04813 (18)	0.6903 (2)	0.0459 (13)
C87	0.6341 (3)	0.0188 (3)	0.6311 (3)	0.074 (2)
C88	0.5419 (4)	−0.0128 (3)	0.7507 (3)	0.082 (2)
F1	0.19230 (13)	0.33389 (12)	0.60424 (11)	0.0408 (7)
F2	0.1352 (3)	0.38476 (19)	0.5011 (2)	0.0653 (14)	0.760 (5)
F2A	0.0754 (7)	0.3851 (5)	0.5433 (7)	0.050 (4)	0.240 (5)
F3	0.1243 (2)	0.26516 (15)	0.54336 (18)	0.0449 (11)	0.760 (5)
F3A	0.1735 (6)	0.3020 (6)	0.5079 (5)	0.046 (3)	0.240 (5)
F4	0.04947 (18)	0.3463 (2)	0.6025 (2)	0.0580 (13)	0.760 (5)
F4A	0.0834 (7)	0.2717 (7)	0.6065 (7)	0.075 (4)	0.240 (5)
N5	−0.00712 (15)	0.26232 (12)	0.39494 (13)	0.0192 (7)
N6	0.09105 (16)	0.31901 (12)	0.31963 (13)	0.0205 (7)
N7	0.24206 (16)	−0.03396 (12)	0.73960 (13)	0.0211 (7)
N8	0.16334 (16)	−0.08169 (12)	0.83644 (14)	0.0226 (8)
C1	−0.13327 (19)	0.10823 (16)	0.50856 (18)	0.0265 (10)
C2	−0.1313 (2)	0.10425 (17)	0.58225 (18)	0.0296 (10)
C3	−0.1197 (2)	0.16291 (18)	0.61795 (18)	0.0308 (10)
C4	−0.0928 (2)	0.23084 (17)	0.58966 (17)	0.0269 (10)
C5	−0.06022 (19)	0.25924 (15)	0.51732 (17)	0.0222 (9)
C6	−0.05220 (18)	0.22475 (14)	0.46154 (16)	0.0194 (8)
C7	−0.08046 (18)	0.15483 (15)	0.45594 (17)	0.0219 (9)
C8	0.07026 (19)	0.28891 (14)	0.38819 (16)	0.0194 (8)
C9	−0.0367 (2)	0.27579 (16)	0.32798 (16)	0.0231 (9)
C10	0.0247 (2)	0.31137 (16)	0.28139 (17)	0.0250 (9)
C11	0.16911 (19)	0.35564 (15)	0.28781 (15)	0.0206 (9)
C12	0.16486 (19)	0.43170 (15)	0.27534 (16)	0.0218 (9)
C13	0.2376 (2)	0.46652 (16)	0.23873 (16)	0.0254 (9)
C14	0.3101 (2)	0.42697 (17)	0.21614 (16)	0.0266 (10)
C15	0.3120 (2)	0.35183 (17)	0.23093 (17)	0.0263 (10)
C16	0.2417 (2)	0.31378 (16)	0.26708 (16)	0.0239 (9)
C17	0.0862 (2)	0.47627 (16)	0.29910 (17)	0.0252 (9)
C18	0.1065 (2)	0.52375 (19)	0.3502 (2)	0.0382 (11)
C19	0.0481 (2)	0.5224 (2)	0.2332 (2)	0.0388 (12)
C20	0.2468 (2)	0.23123 (17)	0.28341 (19)	0.0312 (10)
C21	0.2704 (3)	0.2001 (2)	0.2153 (2)	0.0496 (16)
C22	0.3104 (3)	0.20351 (19)	0.3380 (2)	0.0448 (13)
C23	0.2496 (2)	0.14923 (15)	0.61434 (17)	0.0257 (10)
C24	0.2969 (2)	0.14530 (16)	0.54770 (18)	0.0281 (10)
C25	0.3705 (2)	0.09672 (18)	0.53541 (18)	0.0301 (10)
C26	0.3981 (2)	0.03588 (18)	0.57932 (18)	0.0317 (11)
C27	0.3559 (2)	−0.00145 (17)	0.64595 (17)	0.0266 (10)
C28	0.28176 (19)	0.01904 (15)	0.68119 (16)	0.0219 (9)
C29	0.23003 (19)	0.08637 (15)	0.66761 (16)	0.0220 (9)
C30	0.19373 (19)	−0.01998 (15)	0.79862 (16)	0.0218 (9)
C31	0.2406 (2)	−0.10781 (15)	0.74086 (17)	0.0265 (10)
C32	0.1923 (2)	−0.13753 (15)	0.80104 (17)	0.0273 (10)
C33	0.1076 (2)	−0.08831 (15)	0.90407 (17)	0.0250 (9)
C34	0.1460 (2)	−0.09250 (17)	0.96632 (18)	0.0330 (11)
C35	0.0910 (3)	−0.09874 (19)	1.02999 (19)	0.0408 (13)
C36	0.0041 (3)	−0.10016 (18)	1.0305 (2)	0.0415 (13)
C37	−0.0317 (2)	−0.09628 (18)	0.9676 (2)	0.0393 (11)
C38	0.0193 (2)	−0.09021 (15)	0.90178 (18)	0.0286 (10)
C39	−0.0189 (2)	−0.08848 (19)	0.8329 (2)	0.0377 (11)
C40	−0.1009 (3)	−0.0394 (2)	0.8257 (3)	0.0549 (14)
C41	−0.0377 (3)	−0.1654 (2)	0.8259 (3)	0.0585 (16)
C42	0.2428 (3)	−0.0933 (2)	0.9668 (2)	0.0443 (12)
C43	0.2688 (3)	−0.0353 (2)	1.0036 (3)	0.0596 (17)
C44	0.2767 (3)	−0.1688 (3)	1.0017 (4)	0.083 (2)
Cl1	0.01353 (7)	0.13237 (6)	0.76174 (7)	0.0601 (4)
Cl2	−0.06259 (9)	0.27215 (7)	0.78203 (8)	0.0778 (5)
F5	0.57619 (16)	0.13185 (13)	0.45459 (17)	0.0577 (9)	0.876 (4)
F6	0.6479 (2)	0.21262 (16)	0.36793 (15)	0.0554 (10)	0.876 (4)
F7	0.6693 (3)	0.2042 (2)	0.4845 (2)	0.0466 (11)	0.876 (4)
F8	0.71856 (18)	0.11296 (16)	0.42500 (16)	0.0451 (10)	0.876 (4)
B1	0.1267 (2)	0.3312 (2)	0.5630 (2)	0.0300 (11)
Cl3	0.56601 (9)	0.36475 (7)	0.21412 (8)	0.0844 (5)
Cl4	0.54087 (10)	0.21859 (11)	0.19474 (12)	0.1192 (9)
F9	0.77259 (12)	0.39003 (10)	0.13962 (11)	0.0370 (7)
F10	0.81547 (13)	0.29711 (9)	0.22621 (10)	0.0329 (6)
F11	0.85614 (15)	0.29563 (10)	0.10889 (11)	0.0437 (7)
F12	0.91074 (13)	0.37819 (11)	0.16160 (12)	0.0416 (7)
B2	0.6532 (3)	0.1648 (3)	0.4330 (3)	0.0312 (12)	0.876 (4)
Cl5	0.23326 (10)	0.64590 (8)	0.10691 (7)	0.0786 (5)
Cl6	0.37755 (10)	0.64623 (11)	−0.00424 (12)	0.1118 (8)
F13	0.31545 (14)	0.10009 (11)	0.81877 (15)	0.0559 (9)
F14	0.23947 (13)	0.20325 (10)	0.77219 (11)	0.0385 (7)
F15	0.17962 (14)	0.12017 (11)	0.86378 (13)	0.0489 (8)
F16	0.2830 (2)	0.18990 (12)	0.88189 (16)	0.0770 (10)
B3	0.8391 (2)	0.33973 (18)	0.1587 (2)	0.0259 (11)
F5A	0.658 (2)	0.2171 (15)	0.4783 (14)	0.041 (5)	0.124 (4)
F6A	0.7506 (10)	0.1961 (8)	0.3845 (8)	0.044 (4)	0.124 (4)
Cl7	0.47730 (15)	0.85830 (18)	0.10044 (11)	0.0748 (8)	0.754 (7)
F7A	0.6881 (12)	0.1007 (8)	0.4599 (11)	0.045 (4)	0.124 (4)
Cl8	0.5458 (2)	0.9111 (3)	−0.04897 (13)	0.1173 (12)	0.754 (7)
F8A	0.6088 (11)	0.1823 (9)	0.3857 (11)	0.045 (4)	0.124 (4)
B4	0.2546 (3)	0.15359 (19)	0.8349 (2)	0.0310 (11)
Cl7A	0.4819 (7)	0.8988 (8)	0.0948 (5)	0.129 (3)	0.246 (7)
Cl8A	0.5374 (8)	0.8619 (8)	−0.0462 (5)	0.142 (3)	0.246 (7)
B2A	0.6756 (11)	0.1742 (9)	0.4274 (9)	0.042 (3)	0.124 (4)
C89	0.0319 (3)	0.2225 (2)	0.7651 (3)	0.069 (2)
C90	0.6142 (3)	0.2801 (2)	0.2018 (3)	0.0543 (16)
C91	0.2708 (3)	0.6234 (3)	0.0230 (3)	0.080 (2)
C92	0.5611 (5)	0.8967 (10)	0.0417 (4)	0.0988 (19)	0.754 (7)
C92A	0.5644 (12)	0.893 (3)	0.0279 (13)	0.111 (2)	0.246 (7)
H45	0.74710	0.31550	0.35430	0.0320*
H46	0.75220	0.31400	0.47420	0.0320*
H47	0.82560	0.39110	0.51900	0.0330*
H48	0.90100	0.48280	0.46220	0.0350*
H49	0.89370	0.54510	0.34820	0.0310*
H51	0.74380	0.42300	0.26840	0.0280*
H52	0.82070	0.48710	0.16910	0.0290*
H53	0.78930	0.64270	0.28700	0.0330*
H54	0.78260	0.70150	0.16030	0.0370*
H57	0.94860	0.63200	−0.07970	0.0420*
H58	0.82830	0.62170	−0.13440	0.0480*
H59	0.69520	0.60560	−0.06800	0.0530*
H61	0.95290	0.61460	0.11110	0.0400*
H62A	1.06060	0.58620	−0.01290	0.0640*
H62B	1.02420	0.52440	0.05230	0.0640*
H62C	1.09110	0.57930	0.06490	0.0640*
H63A	1.01040	0.71940	−0.01360	0.0720*
H63B	1.04240	0.71210	0.06360	0.0720*
H63C	0.94510	0.73790	0.05200	0.0720*
H64	0.65180	0.59410	0.12360	0.0660*
H65A	0.59080	0.53850	0.01210	0.1260*
H65B	0.54370	0.53160	0.09200	0.1260*
H65C	0.63450	0.48950	0.07790	0.1260*
H66A	0.58140	0.67440	−0.00100	0.1260*
H66B	0.62440	0.71100	0.05340	0.1260*
H66C	0.53790	0.66890	0.07990	0.1260*
H67	0.29310	0.43540	0.37560	0.0320*
H68	0.41870	0.39380	0.31670	0.0320*
H69	0.50200	0.29680	0.36440	0.0300*
H70	0.49050	0.23320	0.47390	0.0280*
H72	0.35460	0.37300	0.58210	0.0250*
H73	0.28180	0.44480	0.49540	0.0290*
H74	0.57360	0.23790	0.57030	0.0250*
H75	0.33480	0.25780	0.66900	0.0310*
H76	0.42680	0.19150	0.75910	0.0320*
H79	0.74700	0.22800	0.79090	0.0400*
H80	0.78510	0.10480	0.81020	0.0410*
H81	0.71210	0.02630	0.76460	0.0450*
H83	0.58040	0.31630	0.68560	0.0400*
H84A	0.72780	0.33720	0.65300	0.0760*
H84B	0.73590	0.34650	0.73290	0.0760*
H84C	0.67730	0.40360	0.68330	0.0760*
H85A	0.55420	0.37640	0.78350	0.0840*
H85B	0.60950	0.31380	0.83040	0.0840*
H85C	0.52120	0.29560	0.80610	0.0840*
H86	0.52630	0.07560	0.66850	0.0550*
H87A	0.60280	−0.01560	0.61310	0.1110*
H87B	0.68560	−0.00600	0.65040	0.1110*
H87C	0.65080	0.05920	0.59180	0.1110*
H88A	0.51280	−0.04700	0.73050	0.1220*
H88B	0.50100	0.00800	0.78500	0.1220*
H88C	0.58950	−0.03860	0.77520	0.1220*
H1	−0.16900	0.07390	0.49280	0.0320*
H2	−0.16040	0.06180	0.61380	0.0360*
H3	−0.13280	0.15240	0.66860	0.0370*
H4	−0.09610	0.26330	0.62200	0.0320*
H5	−0.04220	0.30770	0.50730	0.0270*
H7	−0.07840	0.14630	0.40590	0.0260*
H8	0.10480	0.28680	0.42590	0.0230*
H9	−0.08990	0.26250	0.31720	0.0280*
H10	0.02280	0.32810	0.23140	0.0300*
H13	0.23740	0.51810	0.22920	0.0300*
H14	0.35860	0.45160	0.19050	0.0320*
H15	0.36260	0.32550	0.21600	0.0320*
H17	0.04220	0.44180	0.32550	0.0300*
H18A	0.14980	0.55800	0.32560	0.0580*
H18B	0.12860	0.49290	0.39230	0.0580*
H18C	0.05410	0.55080	0.36530	0.0580*
H19A	0.09140	0.55460	0.20480	0.0590*
H19B	−0.00200	0.55160	0.24910	0.0590*
H19C	0.03080	0.49020	0.20380	0.0590*
H20	0.18880	0.21440	0.30550	0.0370*
H21A	0.23000	0.22040	0.18050	0.0740*
H21B	0.26760	0.14700	0.22730	0.0740*
H21C	0.32880	0.21290	0.19450	0.0740*
H22A	0.30890	0.15050	0.35240	0.0670*
H22B	0.29470	0.22550	0.38030	0.0670*
H22C	0.36840	0.21670	0.31650	0.0670*
H23	0.22410	0.19750	0.62260	0.0310*
H24	0.29420	0.19110	0.51070	0.0340*
H25	0.40410	0.10930	0.49030	0.0360*
H26	0.45240	0.01520	0.56400	0.0380*
H27	0.38350	−0.04560	0.66770	0.0320*
H29	0.18690	0.09490	0.70850	0.0260*
H30	0.18310	0.02650	0.81120	0.0260*
H31	0.26870	−0.13290	0.70550	0.0320*
H32	0.18030	−0.18740	0.81640	0.0330*
H35	0.11440	−0.10210	1.07400	0.0490*
H36	−0.03200	−0.10390	1.07460	0.0500*
H37	−0.09220	−0.09780	0.96920	0.0470*
H39	0.02460	−0.06910	0.79200	0.0450*
H40A	−0.11770	−0.03460	0.77740	0.0830*
H40B	−0.09040	0.00880	0.83400	0.0830*
H40C	−0.14710	−0.06080	0.86120	0.0830*
H41A	−0.06040	−0.16340	0.78020	0.0870*
H41B	−0.08010	−0.18590	0.86560	0.0870*
H41C	0.01540	−0.19620	0.82760	0.0870*
H42	0.26950	−0.08280	0.91580	0.0530*
H43A	0.33140	−0.03690	1.00160	0.0890*
H43B	0.24330	−0.04440	1.05370	0.0890*
H43C	0.24830	0.01270	0.97910	0.0890*
H44A	0.25930	−0.20520	0.97700	0.1240*
H44B	0.25300	−0.17980	1.05230	0.1240*
H44C	0.33940	−0.16990	0.99820	0.1240*
H89A	0.06910	0.22240	0.80310	0.0830*
H89B	0.06270	0.24590	0.71880	0.0830*
H90A	0.65540	0.28750	0.15780	0.0650*
H90B	0.64680	0.25930	0.24280	0.0650*
H91A	0.26640	0.57060	0.02620	0.0960*
H91B	0.23420	0.64960	−0.01340	0.0960*
H92A	0.61350	0.86490	0.04930	0.1180*	0.754 (7)
H92B	0.57140	0.94400	0.05350	0.1180*	0.754 (7)
H92C	0.61060	0.85960	0.04870	0.1330*	0.246 (7)
H92D	0.58800	0.94140	0.01080	0.1330*	0.246 (7)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Pd3	0.0194 (1)	0.0195 (1)	0.0178 (1)	0.0002 (1)	0.0004 (1)	−0.0034 (1)
Pd4	0.0186 (1)	0.0213 (1)	0.0191 (1)	0.0009 (1)	−0.0032 (1)	−0.0028 (1)
Pd1	0.0198 (1)	0.0202 (1)	0.0241 (1)	−0.0032 (1)	−0.0056 (1)	−0.0010 (1)
Pd2	0.0219 (1)	0.0203 (1)	0.0227 (1)	−0.0046 (1)	−0.0061 (1)	−0.0030 (1)
Br3	0.0209 (2)	0.0222 (1)	0.0204 (2)	−0.0025 (1)	0.0020 (1)	−0.0036 (1)
Br4	0.0223 (2)	0.0309 (2)	0.0210 (2)	0.0025 (1)	−0.0008 (1)	0.0004 (1)
Br1	0.0221 (2)	0.0255 (1)	0.0230 (2)	−0.0046 (1)	−0.0052 (1)	−0.0024 (1)
Br2	0.0241 (2)	0.0236 (1)	0.0243 (2)	−0.0059 (1)	−0.0069 (1)	−0.0002 (1)
N1	0.0173 (13)	0.0205 (11)	0.0227 (14)	−0.0028 (9)	−0.0046 (11)	−0.0032 (10)
N2	0.0182 (13)	0.0236 (12)	0.0245 (14)	−0.0027 (10)	−0.0044 (11)	0.0007 (10)
N3	0.0236 (14)	0.0239 (12)	0.0166 (13)	−0.0003 (10)	−0.0006 (11)	−0.0045 (10)
N4	0.0337 (15)	0.0231 (12)	0.0179 (14)	−0.0010 (11)	−0.0027 (12)	−0.0037 (10)
C45	0.0248 (17)	0.0226 (14)	0.0307 (19)	0.0037 (12)	0.0048 (14)	−0.0083 (13)
C46	0.0236 (17)	0.0229 (14)	0.0289 (18)	0.0095 (12)	0.0020 (14)	0.0016 (12)
C47	0.0269 (18)	0.0309 (15)	0.0210 (17)	0.0095 (13)	−0.0013 (14)	−0.0005 (13)
C48	0.0231 (17)	0.0405 (17)	0.0247 (18)	0.0047 (14)	−0.0061 (14)	−0.0075 (14)
C49	0.0225 (17)	0.0314 (15)	0.0216 (17)	−0.0014 (13)	−0.0003 (14)	−0.0044 (13)
C50	0.0237 (16)	0.0233 (13)	0.0151 (15)	0.0041 (12)	0.0020 (13)	−0.0027 (11)
C51	0.0244 (17)	0.0259 (14)	0.0186 (16)	0.0006 (12)	0.0038 (13)	−0.0080 (12)
C52	0.0286 (17)	0.0253 (14)	0.0188 (16)	−0.0037 (12)	0.0011 (13)	−0.0054 (12)
C53	0.0370 (19)	0.0229 (14)	0.0237 (18)	0.0023 (13)	−0.0010 (15)	−0.0093 (13)
C54	0.045 (2)	0.0225 (14)	0.0257 (18)	0.0013 (14)	−0.0042 (16)	−0.0077 (13)
C55	0.044 (2)	0.0251 (14)	0.0141 (16)	0.0012 (13)	−0.0026 (15)	−0.0055 (12)
C56	0.037 (2)	0.0266 (15)	0.0223 (17)	0.0008 (13)	−0.0054 (15)	−0.0015 (13)
C57	0.039 (2)	0.0436 (19)	0.0199 (18)	0.0008 (16)	−0.0011 (16)	−0.0013 (14)
C58	0.044 (2)	0.057 (2)	0.0192 (18)	0.0083 (18)	−0.0077 (17)	−0.0079 (16)
C59	0.038 (2)	0.069 (3)	0.026 (2)	0.0020 (19)	−0.0094 (17)	−0.0116 (18)
C60	0.038 (2)	0.053 (2)	0.0244 (19)	−0.0021 (17)	−0.0027 (16)	−0.0080 (16)
C61	0.043 (2)	0.0391 (18)	0.0183 (17)	−0.0056 (15)	−0.0052 (15)	−0.0009 (14)
C62	0.043 (2)	0.050 (2)	0.036 (2)	0.0003 (17)	−0.0136 (18)	−0.0063 (17)
C63	0.055 (3)	0.042 (2)	0.049 (3)	−0.0119 (18)	−0.005 (2)	−0.0111 (18)
C64	0.043 (2)	0.092 (3)	0.032 (2)	−0.009 (2)	−0.0074 (19)	−0.012 (2)
C65	0.066 (4)	0.083 (4)	0.094 (4)	−0.020 (3)	0.006 (3)	0.001 (3)
C66	0.049 (3)	0.094 (4)	0.110 (5)	0.010 (3)	0.016 (3)	−0.042 (4)
C67	0.0217 (17)	0.0268 (15)	0.0328 (19)	−0.0011 (12)	−0.0128 (14)	−0.0032 (13)
C68	0.0304 (18)	0.0299 (15)	0.0237 (17)	−0.0020 (13)	−0.0107 (14)	−0.0083 (13)
C69	0.0248 (17)	0.0285 (15)	0.0259 (18)	−0.0007 (12)	−0.0064 (14)	−0.0118 (13)
C70	0.0222 (16)	0.0200 (13)	0.0311 (18)	0.0011 (12)	−0.0076 (14)	−0.0081 (12)
C71	0.0170 (15)	0.0208 (13)	0.0224 (16)	−0.0040 (11)	−0.0059 (13)	−0.0014 (11)
C72	0.0166 (15)	0.0231 (13)	0.0231 (16)	−0.0037 (11)	−0.0036 (13)	−0.0039 (12)
C73	0.0142 (15)	0.0253 (14)	0.0327 (19)	−0.0009 (11)	−0.0044 (13)	−0.0040 (13)
C74	0.0193 (16)	0.0187 (13)	0.0242 (17)	−0.0009 (11)	−0.0039 (13)	−0.0026 (12)
C75	0.0192 (16)	0.0284 (15)	0.0279 (18)	−0.0065 (12)	0.0008 (14)	−0.0037 (13)
C76	0.0189 (16)	0.0321 (15)	0.0248 (18)	−0.0046 (13)	0.0004 (14)	0.0007 (13)
C77	0.0181 (16)	0.0310 (15)	0.0194 (16)	−0.0016 (12)	−0.0027 (13)	0.0026 (12)
C78	0.0226 (17)	0.0361 (16)	0.0191 (17)	−0.0027 (13)	−0.0012 (14)	−0.0014 (13)
C79	0.0281 (19)	0.0472 (19)	0.0234 (18)	−0.0065 (15)	−0.0041 (15)	−0.0043 (15)
C80	0.0235 (18)	0.050 (2)	0.0257 (19)	0.0037 (15)	−0.0067 (15)	0.0021 (15)
C81	0.032 (2)	0.0349 (17)	0.041 (2)	0.0058 (15)	−0.0074 (17)	0.0004 (15)
C82	0.0265 (18)	0.0311 (16)	0.035 (2)	0.0000 (13)	−0.0084 (15)	0.0000 (14)
C83	0.037 (2)	0.0352 (17)	0.0293 (19)	−0.0029 (15)	−0.0125 (16)	−0.0063 (14)
C84	0.050 (3)	0.043 (2)	0.060 (3)	−0.0131 (18)	−0.022 (2)	0.0010 (19)
C85	0.067 (3)	0.055 (2)	0.048 (3)	0.012 (2)	−0.011 (2)	−0.019 (2)
C86	0.042 (2)	0.0272 (17)	0.071 (3)	0.0031 (15)	−0.031 (2)	−0.0025 (17)
C87	0.084 (4)	0.056 (3)	0.100 (4)	0.014 (3)	−0.048 (3)	−0.039 (3)
C88	0.077 (4)	0.050 (3)	0.115 (5)	−0.031 (2)	−0.045 (3)	0.021 (3)
F1	0.0307 (11)	0.0659 (13)	0.0312 (11)	−0.0048 (10)	−0.0081 (9)	−0.0183 (10)
F2	0.074 (3)	0.061 (2)	0.058 (2)	−0.0298 (19)	−0.032 (2)	0.0196 (17)
F2A	0.042 (6)	0.035 (5)	0.083 (8)	0.012 (4)	−0.027 (6)	−0.027 (5)
F3	0.052 (2)	0.0361 (15)	0.058 (2)	0.0144 (14)	−0.0334 (19)	−0.0255 (15)
F3A	0.044 (5)	0.069 (6)	0.039 (5)	−0.001 (5)	−0.026 (4)	−0.032 (5)
F4	0.0286 (16)	0.076 (2)	0.080 (3)	−0.0071 (15)	0.0073 (16)	−0.047 (2)
F4A	0.041 (6)	0.091 (8)	0.076 (8)	−0.031 (5)	−0.015 (5)	0.036 (6)
N5	0.0193 (13)	0.0178 (11)	0.0207 (13)	−0.0006 (9)	−0.0053 (11)	−0.0025 (9)
N6	0.0206 (13)	0.0231 (11)	0.0179 (13)	−0.0040 (10)	−0.0059 (11)	−0.0007 (10)
N7	0.0223 (13)	0.0216 (11)	0.0203 (14)	0.0015 (10)	−0.0036 (11)	−0.0067 (10)
N8	0.0255 (14)	0.0214 (11)	0.0219 (14)	0.0009 (10)	−0.0029 (11)	−0.0071 (10)
C1	0.0177 (16)	0.0247 (14)	0.036 (2)	−0.0025 (12)	−0.0089 (14)	0.0003 (13)
C2	0.0194 (17)	0.0326 (16)	0.033 (2)	−0.0059 (13)	−0.0010 (14)	0.0031 (14)
C3	0.0243 (18)	0.0416 (18)	0.0231 (18)	−0.0023 (14)	0.0009 (14)	−0.0004 (14)
C4	0.0228 (17)	0.0339 (16)	0.0241 (17)	0.0006 (13)	0.0000 (14)	−0.0084 (13)
C5	0.0168 (15)	0.0220 (13)	0.0272 (17)	0.0006 (11)	−0.0044 (13)	−0.0027 (12)
C6	0.0143 (15)	0.0195 (13)	0.0223 (16)	0.0010 (11)	−0.0046 (12)	0.0017 (11)
C7	0.0177 (15)	0.0220 (13)	0.0258 (17)	−0.0019 (11)	−0.0082 (13)	−0.0008 (12)
C8	0.0205 (15)	0.0189 (13)	0.0192 (16)	−0.0012 (11)	−0.0065 (13)	−0.0022 (11)
C9	0.0201 (16)	0.0285 (14)	0.0222 (17)	−0.0010 (12)	−0.0110 (13)	−0.0034 (12)
C10	0.0263 (17)	0.0303 (15)	0.0201 (16)	−0.0020 (13)	−0.0122 (14)	−0.0029 (12)
C11	0.0205 (16)	0.0274 (14)	0.0141 (15)	−0.0038 (12)	−0.0068 (12)	−0.0005 (11)
C12	0.0222 (16)	0.0273 (14)	0.0158 (15)	−0.0019 (12)	−0.0079 (13)	−0.0004 (12)
C13	0.0266 (17)	0.0274 (15)	0.0212 (17)	−0.0053 (13)	−0.0064 (14)	0.0011 (12)
C14	0.0223 (17)	0.0384 (17)	0.0183 (16)	−0.0069 (13)	−0.0051 (13)	0.0000 (13)
C15	0.0199 (16)	0.0382 (17)	0.0212 (17)	0.0005 (13)	−0.0046 (13)	−0.0060 (13)
C16	0.0230 (17)	0.0305 (15)	0.0202 (16)	−0.0014 (12)	−0.0101 (13)	−0.0050 (12)
C17	0.0237 (17)	0.0269 (14)	0.0234 (17)	−0.0033 (12)	−0.0017 (14)	−0.0011 (12)
C18	0.032 (2)	0.0415 (19)	0.045 (2)	−0.0008 (15)	−0.0023 (17)	−0.0191 (17)
C19	0.033 (2)	0.044 (2)	0.033 (2)	0.0040 (16)	−0.0040 (17)	0.0053 (16)
C20	0.0237 (17)	0.0274 (15)	0.043 (2)	−0.0002 (13)	−0.0067 (16)	−0.0071 (14)
C21	0.054 (3)	0.041 (2)	0.061 (3)	0.0022 (18)	−0.011 (2)	−0.0259 (19)
C22	0.046 (2)	0.0339 (18)	0.051 (3)	−0.0007 (16)	−0.016 (2)	0.0059 (17)
C23	0.0316 (18)	0.0212 (14)	0.0274 (18)	−0.0059 (12)	−0.0100 (15)	−0.0064 (12)
C24	0.0303 (18)	0.0278 (15)	0.0279 (18)	−0.0145 (13)	−0.0079 (15)	−0.0022 (13)
C25	0.0267 (18)	0.0401 (18)	0.0252 (18)	−0.0147 (14)	0.0006 (14)	−0.0077 (14)
C26	0.0229 (17)	0.0418 (18)	0.032 (2)	−0.0047 (14)	0.0004 (15)	−0.0119 (15)
C27	0.0243 (17)	0.0302 (15)	0.0258 (18)	−0.0002 (13)	−0.0061 (14)	−0.0049 (13)
C28	0.0240 (16)	0.0246 (14)	0.0191 (16)	−0.0029 (12)	−0.0067 (13)	−0.0058 (12)
C29	0.0226 (16)	0.0237 (14)	0.0227 (16)	−0.0045 (12)	−0.0048 (13)	−0.0089 (12)
C30	0.0224 (16)	0.0228 (13)	0.0220 (16)	0.0004 (12)	−0.0046 (13)	−0.0076 (12)
C31	0.0337 (18)	0.0210 (14)	0.0257 (18)	0.0053 (12)	−0.0027 (15)	−0.0094 (12)
C32	0.0335 (19)	0.0195 (13)	0.0295 (18)	0.0025 (12)	−0.0019 (15)	−0.0084 (13)
C33	0.0317 (18)	0.0194 (13)	0.0230 (17)	−0.0022 (12)	0.0020 (14)	−0.0052 (12)
C34	0.039 (2)	0.0321 (16)	0.0274 (19)	−0.0064 (14)	0.0001 (16)	−0.0057 (14)
C35	0.059 (3)	0.0398 (19)	0.0234 (19)	−0.0124 (17)	0.0009 (18)	−0.0056 (15)
C36	0.053 (3)	0.0350 (18)	0.033 (2)	−0.0103 (17)	0.0171 (19)	−0.0093 (15)
C37	0.035 (2)	0.0301 (17)	0.050 (2)	−0.0060 (15)	0.0101 (18)	−0.0092 (16)
C38	0.0306 (18)	0.0194 (14)	0.0347 (19)	−0.0030 (12)	0.0020 (15)	−0.0060 (13)
C39	0.0271 (19)	0.0399 (18)	0.046 (2)	0.0015 (15)	−0.0070 (17)	−0.0078 (16)
C40	0.043 (2)	0.045 (2)	0.075 (3)	0.0099 (18)	−0.015 (2)	−0.007 (2)
C41	0.059 (3)	0.050 (2)	0.079 (3)	0.006 (2)	−0.031 (3)	−0.031 (2)
C42	0.044 (2)	0.060 (2)	0.029 (2)	−0.0071 (19)	−0.0097 (18)	−0.0039 (17)
C43	0.059 (3)	0.061 (3)	0.061 (3)	−0.023 (2)	−0.018 (2)	−0.003 (2)
C44	0.066 (3)	0.066 (3)	0.126 (5)	0.008 (3)	−0.042 (3)	−0.026 (3)
Cl1	0.0579 (7)	0.0583 (6)	0.0770 (8)	0.0132 (5)	−0.0290 (6)	−0.0358 (6)
Cl2	0.0832 (9)	0.0729 (8)	0.0879 (10)	0.0325 (7)	−0.0308 (8)	−0.0409 (7)
F5	0.0345 (14)	0.0389 (13)	0.101 (2)	−0.0038 (11)	0.0099 (14)	−0.0269 (14)
F6	0.077 (2)	0.0470 (16)	0.0395 (16)	0.0052 (15)	−0.0088 (15)	−0.0040 (12)
F7	0.050 (2)	0.053 (2)	0.0424 (18)	−0.0002 (16)	−0.0005 (15)	−0.0265 (16)
F8	0.0356 (16)	0.0631 (17)	0.0430 (18)	0.0196 (13)	−0.0131 (13)	−0.0282 (14)
B1	0.026 (2)	0.0345 (19)	0.031 (2)	−0.0074 (16)	−0.0020 (17)	−0.0083 (16)
Cl3	0.0692 (8)	0.0692 (7)	0.0890 (10)	0.0162 (6)	0.0381 (8)	0.0089 (7)
Cl4	0.0651 (10)	0.1320 (15)	0.1738 (19)	−0.0475 (10)	−0.0027 (11)	−0.0527 (13)
F9	0.0339 (11)	0.0324 (10)	0.0482 (13)	0.0040 (8)	−0.0193 (10)	−0.0091 (9)
F10	0.0445 (12)	0.0315 (9)	0.0230 (10)	−0.0032 (8)	−0.0024 (9)	−0.0066 (8)
F11	0.0725 (15)	0.0288 (9)	0.0273 (11)	−0.0003 (10)	0.0078 (10)	−0.0089 (8)
F12	0.0318 (11)	0.0419 (11)	0.0506 (13)	−0.0080 (9)	−0.0139 (10)	−0.0004 (9)
B2	0.030 (2)	0.034 (2)	0.031 (2)	0.0040 (17)	−0.001 (2)	−0.0131 (17)
Cl5	0.1010 (10)	0.0886 (9)	0.0489 (7)	−0.0421 (8)	−0.0123 (7)	−0.0044 (6)
Cl6	0.0623 (9)	0.1438 (16)	0.1446 (17)	−0.0083 (9)	−0.0038 (10)	−0.0680 (13)
F13	0.0362 (13)	0.0327 (11)	0.0912 (19)	0.0044 (9)	0.0087 (12)	−0.0067 (11)
F14	0.0455 (12)	0.0355 (10)	0.0342 (12)	0.0000 (9)	−0.0026 (10)	−0.0080 (9)
F15	0.0378 (12)	0.0453 (12)	0.0580 (15)	−0.0060 (10)	0.0148 (11)	−0.0084 (10)
F16	0.123 (2)	0.0344 (12)	0.093 (2)	0.0056 (13)	−0.0820 (19)	−0.0184 (12)
B3	0.032 (2)	0.0238 (16)	0.0217 (19)	0.0015 (14)	−0.0035 (16)	−0.0048 (14)
F5A	0.034 (9)	0.052 (8)	0.040 (8)	−0.003 (8)	0.001 (7)	−0.019 (7)
F6A	0.058 (7)	0.039 (6)	0.034 (7)	0.003 (6)	0.004 (6)	−0.016 (5)
Cl7	0.0574 (11)	0.1009 (18)	0.0557 (11)	−0.0209 (11)	−0.0082 (8)	0.0156 (11)
F7A	0.040 (8)	0.039 (6)	0.059 (9)	−0.005 (6)	−0.009 (7)	−0.015 (6)
Cl8	0.1188 (19)	0.159 (3)	0.0558 (12)	−0.010 (2)	−0.0130 (12)	0.0241 (16)
F8A	0.050 (7)	0.031 (7)	0.063 (8)	0.012 (6)	−0.020 (6)	−0.026 (6)
B4	0.030 (2)	0.0259 (17)	0.039 (2)	−0.0034 (15)	−0.0049 (18)	−0.0098 (16)
Cl7A	0.102 (4)	0.161 (6)	0.098 (4)	−0.009 (5)	−0.003 (3)	0.032 (5)
Cl8A	0.152 (6)	0.171 (7)	0.085 (4)	−0.026 (6)	−0.018 (4)	0.028 (5)
B2A	0.042 (6)	0.043 (5)	0.044 (6)	0.003 (6)	−0.007 (5)	−0.017 (5)
C89	0.037 (3)	0.051 (2)	0.115 (5)	0.001 (2)	−0.015 (3)	−0.003 (3)
C90	0.037 (2)	0.061 (3)	0.063 (3)	−0.0050 (19)	−0.001 (2)	−0.010 (2)
C91	0.066 (3)	0.109 (4)	0.075 (4)	−0.016 (3)	−0.013 (3)	−0.036 (3)
C92	0.086 (3)	0.132 (4)	0.061 (3)	−0.021 (3)	−0.007 (3)	0.026 (4)
C92A	0.098 (4)	0.140 (4)	0.073 (4)	−0.017 (4)	−0.009 (3)	0.032 (4)

Geometric parameters (Å, º)

Pd3—Br3	2.5254 (5)	C86—H86	1.0000
Pd3—Br4	2.5430 (5)	C87—H87A	0.9800
Pd3—C45	2.072 (3)	C87—H87C	0.9800
Pd3—C46	2.173 (3)	C87—H87B	0.9800
Pd3—C51	2.143 (3)	C88—H88B	0.9800
Pd4—Br4	2.5665 (5)	C88—H88C	0.9800
Pd4—C67	2.055 (3)	C88—H88A	0.9800
Pd4—C68	2.174 (3)	C1—C2	1.404 (5)
Pd4—C73	2.171 (3)	C1—C7	1.418 (4)
Pd4—Br3^i	2.5536 (5)	C2—C3	1.446 (5)
Pd1—C7	2.149 (3)	C3—C4	1.358 (5)
Pd1—Br2	2.5584 (5)	C4—C5	1.425 (4)
Pd1—C1	2.076 (3)	C5—C6	1.348 (4)
Pd1—Br1	2.5793 (5)	C6—C7	1.448 (4)
Pd1—C2	2.195 (3)	C9—C10	1.346 (4)
Pd2—Br2	2.5660 (5)	C11—C12	1.400 (4)
Pd2—C23	2.070 (3)	C11—C16	1.400 (4)
Pd2—Br1	2.5458 (5)	C12—C13	1.397 (4)
Pd2—C29	2.130 (3)	C12—C17	1.517 (4)
Pd2—C24	2.209 (3)	C13—C14	1.386 (4)
N1—C74	1.337 (4)	C14—C15	1.382 (5)
N1—C71	1.448 (4)	C15—C16	1.391 (4)
N1—C75	1.383 (4)	C16—C20	1.518 (4)
N2—C77	1.455 (4)	C17—C18	1.529 (5)
N2—C76	1.384 (4)	C17—C19	1.541 (5)
N2—C74	1.332 (4)	C20—C22	1.527 (5)
N3—C50	1.448 (4)	C20—C21	1.531 (5)
N3—C52	1.331 (4)	C23—C29	1.420 (4)
N3—C53	1.394 (4)	C23—C24	1.408 (5)
N4—C52	1.330 (4)	C24—C25	1.446 (5)
N4—C55	1.456 (4)	C25—C26	1.353 (5)
N4—C54	1.378 (4)	C26—C27	1.433 (5)
C45—C46	1.406 (5)	C27—C28	1.344 (4)
C45—C51	1.426 (4)	C28—C29	1.449 (4)
C46—C47	1.446 (4)	C31—C32	1.341 (4)
C47—C48	1.358 (5)	C33—C34	1.390 (5)
C48—C49	1.431 (5)	C33—C38	1.398 (4)
C49—C50	1.357 (4)	C34—C35	1.394 (5)
C50—C51	1.448 (4)	C34—C42	1.522 (6)
C53—C54	1.340 (5)	C35—C36	1.368 (7)
C55—C56	1.387 (4)	C36—C37	1.381 (5)
C55—C60	1.392 (5)	C37—C38	1.396 (5)
C56—C57	1.398 (5)	C38—C39	1.512 (5)
C56—C61	1.520 (5)	C39—C40	1.533 (6)
C57—C58	1.375 (5)	C39—C41	1.534 (5)
C58—C59	1.378 (6)	C42—C43	1.520 (6)
C59—C60	1.394 (5)	C42—C44	1.529 (7)
C60—C64	1.527 (6)	C1—H1	1.0000
C61—C63	1.536 (5)	Cl1—C89	1.756 (4)
C61—C62	1.527 (5)	C2—H2	1.0000
C64—C65	1.521 (8)	Cl2—C89	1.727 (5)
C64—C66	1.519 (8)	C3—H3	0.9500
C67—C68	1.419 (5)	C4—H4	0.9500
C67—C73	1.415 (5)	C5—H5	0.9500
C68—C69	1.448 (4)	F5—B2	1.379 (6)
C69—C70	1.346 (4)	F6—B2	1.389 (6)
C70—C71	1.427 (4)	C7—H7	1.0000
C71—C72	1.358 (4)	F7—B2	1.407 (7)
C72—C73	1.437 (4)	F8—B2	1.380 (6)
C75—C76	1.346 (4)	C8—H8	0.9500
C77—C78	1.394 (4)	C9—H9	0.9500
C77—C82	1.392 (4)	C10—H10	0.9500
C78—C79	1.390 (5)	C13—H13	0.9500
C78—C83	1.532 (5)	C14—H14	0.9500
C79—C80	1.380 (5)	C15—H15	0.9500
C80—C81	1.367 (5)	C17—H17	1.0000
C81—C82	1.395 (5)	C18—H18A	0.9800
C82—C86	1.516 (5)	C18—H18C	0.9800
C83—C85	1.531 (5)	C18—H18B	0.9800
C83—C84	1.516 (6)	C19—H19A	0.9800
C86—C88	1.530 (7)	C19—H19C	0.9800
C86—C87	1.528 (7)	C19—H19B	0.9800
F1—B1	1.386 (4)	C20—H20	1.0000
F2—B1	1.390 (5)	C21—H21A	0.9800
F2A—B1	1.273 (11)	C21—H21C	0.9800
F3—B1	1.374 (5)	C21—H21B	0.9800
F3A—B1	1.393 (11)	C22—H22B	0.9800
F4—B1	1.391 (5)	C22—H22C	0.9800
F4A—B1	1.414 (13)	C22—H22A	0.9800
N5—C6	1.452 (4)	C23—H23	1.0000
N5—C9	1.389 (4)	C24—H24	1.0000
N5—C8	1.331 (4)	C25—H25	0.9500
N6—C10	1.380 (4)	C26—H26	0.9500
N6—C11	1.456 (4)	C27—H27	0.9500
N6—C8	1.330 (4)	C29—H29	1.0000
N7—C28	1.448 (4)	C30—H30	0.9500
N7—C30	1.342 (4)	C31—H31	0.9500
N7—C31	1.386 (4)	C32—H32	0.9500
N8—C33	1.459 (4)	C35—H35	0.9500
N8—C30	1.324 (4)	C36—H36	0.9500
N8—C32	1.383 (4)	C37—H37	0.9500
C45—H45	1.0000	C39—H39	1.0000
C46—H46	1.0000	C40—H40B	0.9800
C47—H47	0.9500	C40—H40C	0.9800
C48—H48	0.9500	C40—H40A	0.9800
C49—H49	0.9500	C41—H41C	0.9800
C51—H51	1.0000	C41—H41A	0.9800
C52—H52	0.9500	C41—H41B	0.9800
C53—H53	0.9500	C42—H42	1.0000
C54—H54	0.9500	C43—H43C	0.9800
C57—H57	0.9500	C43—H43A	0.9800
C58—H58	0.9500	C43—H43B	0.9800
C59—H59	0.9500	C44—H44C	0.9800
C61—H61	1.0000	C44—H44B	0.9800
C62—H62A	0.9800	C44—H44A	0.9800
C62—H62B	0.9800	Cl3—C90	1.759 (4)
C62—H62C	0.9800	Cl4—C90	1.729 (5)
C63—H63C	0.9800	F9—B3	1.390 (4)
C63—H63B	0.9800	F10—B3	1.398 (4)
C63—H63A	0.9800	F11—B3	1.378 (4)
C64—H64	1.0000	F12—B3	1.396 (4)
C65—H65C	0.9800	Cl5—C91	1.766 (6)
C65—H65A	0.9800	Cl6—C91	1.752 (5)
C65—H65B	0.9800	F13—B4	1.391 (5)
C66—H66A	0.9800	F14—B4	1.398 (4)
C66—H66B	0.9800	F15—B4	1.377 (5)
C66—H66C	0.9800	F16—B4	1.370 (5)
C67—H67	1.0000	F5A—B2A	1.38 (3)
C68—H68	1.0000	F6A—B2A	1.39 (2)
C69—H69	0.9500	Cl7—C92	1.721 (10)
C70—H70	0.9500	F7A—B2A	1.41 (2)
C72—H72	0.9500	Cl8—C92	1.748 (8)
C73—H73	1.0000	F8A—B2A	1.38 (3)
C74—H74	0.9500	Cl7A—C92A	1.72 (3)
C75—H75	0.9500	Cl8A—C92A	1.75 (4)
C76—H76	0.9500	C89—H89A	0.9900
C79—H79	0.9500	C89—H89B	0.9900
C80—H80	0.9500	C90—H90B	0.9900
C81—H81	0.9500	C90—H90A	0.9900
C83—H83	1.0000	C91—H91B	0.9900
C84—H84B	0.9800	C91—H91A	0.9900
C84—H84A	0.9800	C92—H92B	0.9900
C84—H84C	0.9800	C92—H92A	0.9900
C85—H85A	0.9800	C92A—H92C	0.9900
C85—H85B	0.9800	C92A—H92D	0.9900
C85—H85C	0.9800
Pd1···Pd2	3.1619 (5)	Pd1···Pd1^ii	3.2090 (6)
Br3—Pd3—Br4	101.90 (2)	C86—C88—H88B	110.00
Br3—Pd3—C45	125.56 (9)	Pd1—C1—C2	75.45 (19)
Br3—Pd3—C46	91.69 (9)	Pd1—C1—C7	73.18 (17)
Br3—Pd3—C51	161.51 (8)	C2—C1—C7	122.0 (3)
Br4—Pd3—C45	130.96 (9)	Pd1—C2—C1	66.31 (18)
Br4—Pd3—C46	164.79 (9)	Pd1—C2—C3	108.1 (2)
Br4—Pd3—C51	95.68 (8)	C1—C2—C3	127.5 (3)
C45—Pd3—C46	38.59 (13)	C2—C3—C4	129.5 (3)
C45—Pd3—C51	39.50 (12)	C3—C4—C5	127.8 (3)
C46—Pd3—C51	70.21 (12)	C4—C5—C6	127.1 (3)
Br4—Pd4—C67	131.41 (9)	N5—C6—C5	116.3 (2)
Br4—Pd4—C68	98.87 (9)	N5—C6—C7	112.7 (2)
Br4—Pd4—C73	168.04 (8)	C5—C6—C7	131.0 (3)
Br3^i—Pd4—Br4	92.90 (2)	Pd1—C7—C1	67.65 (17)
C67—Pd4—C68	39.09 (12)	Pd1—C7—C6	104.9 (2)
C67—Pd4—C73	39.01 (12)	C1—C7—C6	126.7 (3)
Br3^i—Pd4—C67	126.11 (9)	N5—C8—N6	108.4 (3)
C68—Pd4—C73	69.32 (12)	N5—C9—C10	106.7 (3)
Br3^i—Pd4—C68	165.06 (9)	N6—C10—C9	107.4 (3)
Br3^i—Pd4—C73	99.06 (8)	N6—C11—C12	117.3 (3)
Br2—Pd1—C2	98.22 (9)	N6—C11—C16	118.8 (3)
Br2—Pd1—C7	165.63 (8)	C12—C11—C16	123.8 (3)
C1—Pd1—C2	38.24 (13)	C11—C12—C13	116.8 (3)
C1—Pd1—C7	39.17 (12)	C11—C12—C17	123.2 (3)
C2—Pd1—C7	69.24 (12)	C13—C12—C17	120.0 (3)
Br1—Pd1—C2	161.44 (9)	C12—C13—C14	121.0 (3)
Br1—Pd1—C7	97.15 (8)	C13—C14—C15	120.2 (3)
Br2—Pd1—C1	132.36 (9)	C14—C15—C16	121.7 (3)
Br1—Pd1—C1	134.06 (9)	C11—C16—C15	116.5 (3)
Br1—Pd1—Br2	93.36 (2)	C11—C16—C20	123.4 (3)
Br2—Pd2—C23	129.26 (9)	C15—C16—C20	120.1 (3)
Br1—Pd2—C29	171.47 (8)	C12—C17—C18	111.6 (3)
Br1—Pd2—Br2	93.98 (2)	C12—C17—C19	110.1 (3)
Br1—Pd2—C23	134.28 (9)	C18—C17—C19	111.3 (3)
Br1—Pd2—C24	102.17 (9)	C16—C20—C21	111.8 (3)
C24—Pd2—C29	69.64 (12)	C16—C20—C22	109.8 (3)
Br2—Pd2—C29	93.90 (8)	C21—C20—C22	111.3 (3)
C23—Pd2—C24	38.25 (12)	Pd2—C23—C24	76.22 (18)
Br2—Pd2—C24	162.52 (9)	Pd2—C23—C29	72.52 (17)
C23—Pd2—C29	39.50 (12)	C24—C23—C29	122.4 (3)
Pd3—Br3—Pd4^i	116.58 (2)	Pd2—C24—C23	65.54 (17)
Pd3—Br4—Pd4	88.16 (2)	Pd2—C24—C25	110.3 (2)
Pd1—Br1—Pd2	76.18 (1)	C23—C24—C25	126.3 (3)
Pd1—Br2—Pd2	76.20 (2)	C24—C25—C26	128.9 (3)
C71—N1—C74	124.8 (2)	C25—C26—C27	128.4 (3)
C71—N1—C75	126.4 (2)	C26—C27—C28	127.3 (3)
C74—N1—C75	108.6 (2)	N7—C28—C27	117.6 (3)
C74—N2—C76	108.8 (3)	N7—C28—C29	112.3 (2)
C74—N2—C77	126.0 (3)	C27—C28—C29	130.0 (3)
C76—N2—C77	124.8 (3)	Pd2—C29—C23	67.98 (17)
C50—N3—C52	125.9 (2)	Pd2—C29—C28	104.6 (2)
C50—N3—C53	125.7 (2)	C23—C29—C28	127.0 (3)
C52—N3—C53	108.4 (2)	N7—C30—N8	108.6 (2)
C52—N4—C54	108.8 (3)	N7—C31—C32	107.7 (3)
C52—N4—C55	124.1 (3)	N8—C32—C31	106.9 (3)
C54—N4—C55	126.9 (3)	N8—C33—C34	117.7 (3)
C46—C45—C51	122.4 (3)	N8—C33—C38	117.7 (3)
Pd3—C45—C51	72.95 (18)	C34—C33—C38	124.6 (3)
Pd3—C45—C46	74.59 (19)	C33—C34—C35	116.3 (3)
Pd3—C46—C45	66.82 (18)	C33—C34—C42	122.9 (3)
C45—C46—C47	127.3 (3)	C35—C34—C42	120.8 (3)
Pd3—C46—C47	106.7 (2)	C34—C35—C36	121.4 (3)
C46—C47—C48	129.6 (3)	C35—C36—C37	120.7 (4)
C47—C48—C49	127.4 (3)	C36—C37—C38	121.2 (3)
C48—C49—C50	127.7 (3)	C33—C38—C37	115.9 (3)
N3—C50—C51	113.3 (2)	C33—C38—C39	122.4 (3)
N3—C50—C49	116.3 (3)	C37—C38—C39	121.7 (3)
C49—C50—C51	130.4 (3)	C38—C39—C40	113.3 (3)
Pd3—C51—C45	67.55 (17)	C38—C39—C41	110.7 (3)
Pd3—C51—C50	105.5 (2)	C40—C39—C41	109.3 (3)
C45—C51—C50	126.0 (3)	C34—C42—C43	112.1 (3)
N3—C52—N4	108.4 (3)	C34—C42—C44	110.2 (3)
N3—C53—C54	106.9 (3)	C43—C42—C44	111.0 (4)
N4—C54—C53	107.5 (3)	Pd1—C1—H1	119.00
C56—C55—C60	124.4 (3)	C2—C1—H1	119.00
N4—C55—C60	118.1 (3)	C7—C1—H1	119.00
N4—C55—C56	117.6 (3)	Pd1—C2—H2	114.00
C55—C56—C57	116.6 (3)	C1—C2—H2	114.00
C55—C56—C61	123.1 (3)	C3—C2—H2	115.00
C57—C56—C61	120.3 (3)	C2—C3—H3	115.00
C56—C57—C58	120.8 (3)	C4—C3—H3	115.00
C57—C58—C59	120.8 (3)	C3—C4—H4	116.00
C58—C59—C60	121.0 (4)	C5—C4—H4	116.00
C55—C60—C59	116.3 (3)	C4—C5—H5	116.00
C59—C60—C64	120.1 (3)	C6—C5—H5	116.00
C55—C60—C64	123.5 (3)	Pd1—C7—H7	115.00
C56—C61—C62	112.0 (3)	C1—C7—H7	115.00
C62—C61—C63	111.8 (3)	C6—C7—H7	115.00
C56—C61—C63	109.8 (3)	N5—C8—H8	126.00
C65—C64—C66	111.3 (4)	N6—C8—H8	126.00
C60—C64—C66	110.2 (4)	N5—C9—H9	127.00
C60—C64—C65	111.4 (4)	C10—C9—H9	127.00
C68—C67—C73	121.3 (3)	N6—C10—H10	126.00
Pd4—C67—C68	74.98 (19)	C9—C10—H10	126.00
Pd4—C67—C73	74.93 (18)	C12—C13—H13	119.00
C67—C68—C69	126.4 (3)	C14—C13—H13	119.00
Pd4—C68—C67	65.93 (17)	C13—C14—H14	120.00
Pd4—C68—C69	113.9 (2)	C15—C14—H14	120.00
C68—C69—C70	129.0 (3)	C14—C15—H15	119.00
C69—C70—C71	126.8 (3)	C16—C15—H15	119.00
N1—C71—C70	114.3 (2)	C12—C17—H17	108.00
N1—C71—C72	115.7 (3)	C18—C17—H17	108.00
C70—C71—C72	129.6 (3)	C19—C17—H17	108.00
C71—C72—C73	127.8 (3)	C17—C18—H18A	109.00
Pd4—C73—C72	106.5 (2)	C17—C18—H18B	109.00
C67—C73—C72	128.3 (3)	C17—C18—H18C	109.00
Pd4—C73—C67	66.07 (17)	H18A—C18—H18B	109.00
N1—C74—N2	108.3 (3)	H18A—C18—H18C	109.00
N1—C75—C76	107.2 (3)	H18B—C18—H18C	110.00
N2—C76—C75	107.2 (3)	C17—C19—H19A	109.00
N2—C77—C78	117.1 (3)	C17—C19—H19B	109.00
N2—C77—C82	118.8 (3)	C17—C19—H19C	109.00
C78—C77—C82	124.0 (3)	H19A—C19—H19B	110.00
C77—C78—C79	116.5 (3)	H19A—C19—H19C	109.00
C77—C78—C83	122.7 (3)	H19B—C19—H19C	110.00
C79—C78—C83	120.8 (3)	C16—C20—H20	108.00
C78—C79—C80	121.1 (3)	C21—C20—H20	108.00
C79—C80—C81	120.6 (3)	C22—C20—H20	108.00
C80—C81—C82	121.3 (3)	C20—C21—H21A	110.00
C77—C82—C86	123.2 (3)	C20—C21—H21B	109.00
C81—C82—C86	120.4 (3)	C20—C21—H21C	109.00
C77—C82—C81	116.4 (3)	H21A—C21—H21B	110.00
C78—C83—C84	111.9 (3)	H21A—C21—H21C	109.00
C78—C83—C85	110.2 (3)	H21B—C21—H21C	109.00
C84—C83—C85	112.3 (3)	C20—C22—H22A	110.00
C82—C86—C87	110.3 (4)	C20—C22—H22B	109.00
C87—C86—C88	112.2 (4)	C20—C22—H22C	110.00
C82—C86—C88	110.8 (3)	H22A—C22—H22B	109.00
C6—N5—C9	126.0 (2)	H22A—C22—H22C	109.00
C8—N5—C9	108.8 (2)	H22B—C22—H22C	110.00
C6—N5—C8	125.2 (2)	Pd2—C23—H23	119.00
C8—N6—C11	127.4 (3)	C24—C23—H23	119.00
C10—N6—C11	123.8 (2)	C29—C23—H23	119.00
C8—N6—C10	108.8 (3)	Pd2—C24—H24	115.00
C30—N7—C31	107.8 (2)	C23—C24—H24	115.00
C28—N7—C30	126.5 (2)	C25—C24—H24	115.00
C28—N7—C31	125.5 (2)	C24—C25—H25	116.00
C30—N8—C33	124.7 (2)	C26—C25—H25	116.00
C30—N8—C32	109.0 (3)	C25—C26—H26	116.00
C32—N8—C33	126.3 (2)	C27—C26—H26	116.00
C46—C45—H45	119.00	C26—C27—H27	116.00
C51—C45—H45	119.00	C28—C27—H27	116.00
Pd3—C45—H45	119.00	Pd2—C29—H29	115.00
C45—C46—H46	115.00	C23—C29—H29	115.00
C47—C46—H46	115.00	C28—C29—H29	115.00
Pd3—C46—H46	115.00	N7—C30—H30	126.00
C46—C47—H47	115.00	N8—C30—H30	126.00
C48—C47—H47	115.00	N7—C31—H31	126.00
C49—C48—H48	116.00	C32—C31—H31	126.00
C47—C48—H48	116.00	N8—C32—H32	127.00
C48—C49—H49	116.00	C31—C32—H32	127.00
C50—C49—H49	116.00	C34—C35—H35	119.00
C45—C51—H51	115.00	C36—C35—H35	119.00
C50—C51—H51	115.00	C35—C36—H36	120.00
Pd3—C51—H51	115.00	C37—C36—H36	120.00
N4—C52—H52	126.00	C36—C37—H37	119.00
N3—C52—H52	126.00	C38—C37—H37	119.00
N3—C53—H53	127.00	C38—C39—H39	108.00
C54—C53—H53	127.00	C40—C39—H39	108.00
N4—C54—H54	126.00	C41—C39—H39	108.00
C53—C54—H54	126.00	C39—C40—H40A	110.00
C58—C57—H57	120.00	C39—C40—H40B	110.00
C56—C57—H57	120.00	C39—C40—H40C	110.00
C57—C58—H58	120.00	H40A—C40—H40B	109.00
C59—C58—H58	120.00	H40A—C40—H40C	110.00
C58—C59—H59	119.00	H40B—C40—H40C	109.00
C60—C59—H59	119.00	C39—C41—H41A	110.00
C56—C61—H61	108.00	C39—C41—H41B	109.00
C62—C61—H61	108.00	C39—C41—H41C	109.00
C63—C61—H61	108.00	H41A—C41—H41B	109.00
C61—C62—H62C	110.00	H41A—C41—H41C	109.00
H62A—C62—H62C	110.00	H41B—C41—H41C	109.00
H62B—C62—H62C	109.00	C34—C42—H42	108.00
H62A—C62—H62B	109.00	C43—C42—H42	108.00
C61—C62—H62A	109.00	C44—C42—H42	108.00
C61—C62—H62B	109.00	C42—C43—H43A	109.00
H63A—C63—H63B	109.00	C42—C43—H43B	109.00
H63A—C63—H63C	109.00	C42—C43—H43C	109.00
H63B—C63—H63C	109.00	H43A—C43—H43B	110.00
C61—C63—H63B	109.00	H43A—C43—H43C	110.00
C61—C63—H63C	109.00	H43B—C43—H43C	110.00
C61—C63—H63A	110.00	C42—C44—H44A	109.00
C60—C64—H64	108.00	C42—C44—H44B	109.00
C65—C64—H64	108.00	C42—C44—H44C	110.00
C66—C64—H64	108.00	H44A—C44—H44B	109.00
C64—C65—H65C	109.00	H44A—C44—H44C	109.00
H65A—C65—H65C	110.00	H44B—C44—H44C	110.00
H65B—C65—H65C	110.00	F1—B1—F2	110.1 (3)
H65A—C65—H65B	109.00	F1—B1—F3	113.3 (3)
C64—C65—H65A	109.00	F1—B1—F4	107.9 (3)
C64—C65—H65B	109.00	F1—B1—F2A	123.5 (6)
C64—C66—H66C	109.00	F1—B1—F3A	99.2 (5)
H66A—C66—H66B	109.00	F1—B1—F4A	99.4 (5)
H66A—C66—H66C	109.00	F2—B1—F3	108.4 (3)
H66B—C66—H66C	110.00	F2—B1—F4	107.5 (3)
C64—C66—H66A	109.00	F3—B1—F4	109.6 (3)
C64—C66—H66B	109.00	F2A—B1—F3A	115.6 (8)
C73—C67—H67	119.00	F2A—B1—F4A	112.1 (7)
Pd4—C67—H67	119.00	F3A—B1—F4A	104.2 (7)
C68—C67—H67	119.00	F5—B2—F6	109.2 (4)
C69—C68—H68	114.00	F5—B2—F7	109.1 (4)
Pd4—C68—H68	114.00	F5—B2—F8	110.0 (4)
C67—C68—H68	114.00	F6—B2—F7	108.9 (4)
C68—C69—H69	115.00	F6—B2—F8	109.4 (4)
C70—C69—H69	116.00	F7—B2—F8	110.3 (4)
C71—C70—H70	117.00	F9—B3—F10	109.6 (3)
C69—C70—H70	117.00	F9—B3—F11	109.6 (3)
C73—C72—H72	116.00	F9—B3—F12	107.8 (3)
C71—C72—H72	116.00	F10—B3—F11	109.4 (3)
C67—C73—H73	115.00	F10—B3—F12	109.5 (3)
C72—C73—H73	114.00	F11—B3—F12	111.1 (3)
Pd4—C73—H73	115.00	F13—B4—F14	109.8 (3)
N1—C74—H74	126.00	F13—B4—F15	107.8 (3)
N2—C74—H74	126.00	F13—B4—F16	110.3 (4)
N1—C75—H75	126.00	F14—B4—F15	108.8 (3)
C76—C75—H75	126.00	F14—B4—F16	109.0 (3)
C75—C76—H76	126.00	F15—B4—F16	111.1 (3)
N2—C76—H76	126.00	F5A—B2A—F6A	108.7 (18)
C78—C79—H79	119.00	F5A—B2A—F7A	110.9 (18)
C80—C79—H79	119.00	F5A—B2A—F8A	109.5 (19)
C81—C80—H80	120.00	F6A—B2A—F7A	108.2 (15)
C79—C80—H80	120.00	F6A—B2A—F8A	109.5 (15)
C82—C81—H81	119.00	F7A—B2A—F8A	110.0 (16)
C80—C81—H81	119.00	Cl1—C89—Cl2	111.9 (3)
C78—C83—H83	107.00	Cl1—C89—H89A	109.00
C85—C83—H83	107.00	Cl1—C89—H89B	109.00
C84—C83—H83	107.00	Cl2—C89—H89A	109.00
C83—C84—H84B	110.00	Cl2—C89—H89B	109.00
H84A—C84—H84C	109.00	H89A—C89—H89B	108.00
C83—C84—H84C	109.00	Cl3—C90—Cl4	113.1 (3)
H84A—C84—H84B	109.00	Cl3—C90—H90A	109.00
C83—C84—H84A	109.00	Cl3—C90—H90B	109.00
H84B—C84—H84C	110.00	Cl4—C90—H90A	109.00
C83—C85—H85C	109.00	Cl4—C90—H90B	109.00
H85A—C85—H85C	109.00	H90A—C90—H90B	108.00
H85B—C85—H85C	109.00	Cl5—C91—Cl6	111.6 (3)
H85A—C85—H85B	109.00	Cl5—C91—H91A	109.00
C83—C85—H85A	109.00	Cl5—C91—H91B	109.00
C83—C85—H85B	109.00	Cl6—C91—H91A	109.00
C88—C86—H86	108.00	Cl6—C91—H91B	109.00
C82—C86—H86	108.00	H91A—C91—H91B	108.00
C87—C86—H86	108.00	Cl7—C92—Cl8	115.1 (6)
C86—C87—H87B	109.00	Cl7—C92—H92A	109.00
H87A—C87—H87C	109.00	Cl7—C92—H92B	108.00
C86—C87—H87C	109.00	Cl8—C92—H92A	109.00
H87A—C87—H87B	109.00	Cl8—C92—H92B	109.00
C86—C87—H87A	109.00	H92A—C92—H92B	107.00
H87B—C87—H87C	109.00	Cl7A—C92A—Cl8A	115.6 (15)
C86—C88—H88C	110.00	Cl7A—C92A—H92C	108.00
H88A—C88—H88C	109.00	Cl7A—C92A—H92D	109.00
H88B—C88—H88C	110.00	Cl8A—C92A—H92C	108.00
H88A—C88—H88B	109.00	Cl8A—C92A—H92D	108.00
C86—C88—H88A	109.00	H92C—C92A—H92D	108.00
Br4—Pd3—Br3—Pd4^i	−62.85 (2)	C58—C59—C60—C55	−1.8 (6)
C45—Pd3—Br3—Pd4^i	130.22 (11)	C55—C60—C64—C65	−124.3 (4)
C46—Pd3—Br3—Pd4^i	110.28 (8)	C55—C60—C64—C66	111.7 (4)
Br3—Pd3—Br4—Pd4	−29.62 (2)	C59—C60—C64—C65	59.7 (5)
C45—Pd3—Br4—Pd4	136.28 (12)	C59—C60—C64—C66	−64.3 (5)
C51—Pd3—Br4—Pd4	156.15 (8)	C68—C67—C73—C72	−31.2 (5)
Br3—Pd3—C45—C46	−33.1 (2)	Pd4—C67—C73—C72	−92.6 (3)
Br3—Pd3—C45—C51	−164.92 (14)	C68—C67—C73—Pd4	61.4 (3)
Br4—Pd3—C45—C46	163.91 (14)	Pd4—C67—C68—C69	102.9 (3)
Br4—Pd3—C45—C51	32.1 (2)	C73—C67—C68—Pd4	−61.4 (3)
C46—Pd3—C45—C51	−131.8 (3)	C73—C67—C68—C69	41.5 (5)
C51—Pd3—C45—C46	131.8 (3)	Pd4—C68—C69—C70	59.7 (4)
Br3—Pd3—C46—C45	153.59 (17)	C67—C68—C69—C70	−17.2 (6)
Br3—Pd3—C46—C47	−82.4 (2)	C68—C69—C70—C71	−10.4 (5)
C45—Pd3—C46—C47	124.1 (3)	C69—C70—C71—N1	−165.7 (3)
C51—Pd3—C46—C45	−30.27 (18)	C69—C70—C71—C72	6.5 (5)
C51—Pd3—C46—C47	93.8 (2)	N1—C71—C72—C73	−178.5 (3)
Br4—Pd3—C51—C45	−156.20 (17)	C70—C71—C72—C73	9.4 (5)
Br4—Pd3—C51—C50	80.76 (19)	C71—C72—C73—Pd4	−70.9 (3)
C45—Pd3—C51—C50	−123.0 (3)	C71—C72—C73—C67	1.4 (5)
C46—Pd3—C51—C45	29.62 (18)	N1—C75—C76—N2	0.1 (3)
C46—Pd3—C51—C50	−93.4 (2)	C82—C77—C78—C83	179.9 (3)
C67—Pd4—Br4—Pd3	−105.75 (12)	N2—C77—C82—C81	−176.4 (3)
C68—Pd4—Br4—Pd3	−81.22 (9)	N2—C77—C82—C86	4.5 (5)
Br3^i—Pd4—Br4—Pd3	108.01 (2)	C78—C77—C82—C81	0.9 (5)
Br4—Pd4—C67—C68	40.6 (2)	N2—C77—C78—C79	175.8 (3)
Br4—Pd4—C67—C73	169.61 (13)	N2—C77—C78—C83	−2.8 (4)
C68—Pd4—C67—C73	129.0 (3)	C82—C77—C78—C79	−1.6 (5)
C73—Pd4—C67—C68	−129.0 (3)	C78—C77—C82—C86	−178.2 (3)
Br3^i—Pd4—C67—C68	177.19 (15)	C79—C78—C83—C84	48.9 (4)
Br3^i—Pd4—C67—C73	−53.8 (2)	C79—C78—C83—C85	−76.7 (4)
Br4—Pd4—C68—C67	−150.41 (17)	C77—C78—C79—C80	0.8 (5)
Br4—Pd4—C68—C69	88.7 (2)	C83—C78—C79—C80	179.3 (3)
C67—Pd4—C68—C69	−120.9 (3)	C77—C78—C83—C84	−132.6 (3)
C73—Pd4—C68—C67	31.51 (19)	C77—C78—C83—C85	101.7 (4)
C73—Pd4—C68—C69	−89.3 (2)	C78—C79—C80—C81	0.7 (5)
C67—Pd4—C73—C72	125.1 (3)	C79—C80—C81—C82	−1.5 (5)
C68—Pd4—C73—C67	−31.57 (18)	C80—C81—C82—C77	0.7 (5)
C68—Pd4—C73—C72	93.5 (2)	C80—C81—C82—C86	179.8 (3)
Br3^i—Pd4—C73—C67	138.70 (16)	C81—C82—C86—C87	−66.7 (5)
Br3^i—Pd4—C73—C72	−96.19 (19)	C81—C82—C86—C88	58.2 (5)
Br4—Pd4—Br3^i—Pd3^i	−159.06 (2)	C77—C82—C86—C87	112.5 (4)
C67—Pd4—Br3^i—Pd3^i	51.99 (12)	C77—C82—C86—C88	−122.6 (4)
C73—Pd4—Br3^i—Pd3^i	21.05 (8)	C8—N5—C6—C5	52.3 (4)
Br1—Pd1—C7—C6	−73.15 (19)	C8—N5—C6—C7	−127.2 (3)
C1—Pd1—C7—C6	124.0 (3)	C9—N5—C6—C5	−128.4 (3)
C2—Pd1—C7—C1	−30.18 (18)	C9—N5—C6—C7	52.1 (4)
C2—Pd1—C7—C6	93.8 (2)	C6—N5—C8—N6	179.6 (2)
C1—Pd1—Br2—Pd2	−152.00 (12)	C9—N5—C8—N6	0.2 (3)
C2—Pd1—Br2—Pd2	−132.41 (9)	C6—N5—C9—C10	−179.7 (3)
Br1—Pd1—C1—C2	−154.60 (15)	C8—N5—C9—C10	−0.4 (3)
Br1—Pd1—C1—C7	−24.0 (2)	C10—N6—C8—N5	0.0 (3)
Br2—Pd1—C1—C2	32.4 (2)	C11—N6—C8—N5	179.0 (2)
Br2—Pd1—C1—C7	163.01 (14)	C8—N6—C10—C9	−0.2 (3)
C2—Pd1—C1—C7	130.6 (3)	C11—N6—C10—C9	−179.3 (3)
C7—Pd1—C1—C2	−130.6 (3)	C8—N6—C11—C12	−99.0 (3)
Br2—Pd1—C2—C1	−156.40 (17)	C8—N6—C11—C16	85.3 (4)
Br2—Pd1—C2—C3	79.8 (2)	C10—N6—C11—C12	79.9 (4)
C1—Pd1—C2—C3	−123.8 (3)	C10—N6—C11—C16	−95.9 (3)
Br2—Pd1—Br1—Pd2	−33.34 (2)	C30—N7—C28—C27	149.3 (3)
C1—Pd1—Br1—Pd2	151.85 (12)	C30—N7—C28—C29	−34.2 (4)
C7—Pd1—Br1—Pd2	136.84 (8)	C31—N7—C28—C27	−37.4 (4)
Br1—Pd1—Br2—Pd2	33.04 (2)	C31—N7—C28—C29	139.1 (3)
Br1—Pd1—C7—C1	162.86 (17)	C28—N7—C30—N8	174.9 (3)
C7—Pd1—C2—C1	30.86 (18)	C31—N7—C30—N8	0.6 (3)
C7—Pd1—C2—C3	−92.9 (2)	C28—N7—C31—C32	−175.1 (3)
Br2—Pd2—Br1—Pd1	33.26 (2)	C30—N7—C31—C32	−0.8 (3)
C23—Pd2—Br1—Pd1	−129.25 (12)	C32—N8—C30—N7	−0.3 (3)
C24—Pd2—Br1—Pd1	−153.48 (8)	C33—N8—C30—N7	−179.7 (3)
Br1—Pd2—Br2—Pd1	−33.56 (2)	C30—N8—C32—C31	−0.2 (4)
Br1—Pd2—C23—C29	−171.36 (13)	C33—N8—C32—C31	179.2 (3)
Br2—Pd2—C23—C24	162.39 (14)	C30—N8—C33—C34	−82.3 (4)
Br2—Pd2—C23—C29	31.4 (2)	C30—N8—C33—C38	97.9 (4)
C24—Pd2—C23—C29	−131.0 (3)	C32—N8—C33—C34	98.4 (4)
C23—Pd2—Br2—Pd1	130.31 (11)	C32—N8—C33—C38	−81.4 (4)
C29—Pd2—Br2—Pd1	149.72 (8)	Pd1—C1—C2—C3	95.2 (3)
Br1—Pd2—C23—C24	−40.4 (2)	C7—C1—C2—Pd1	−59.0 (3)
Br1—Pd2—C24—C25	−86.6 (2)	C7—C1—C2—C3	36.2 (5)
C23—Pd2—C24—C25	121.7 (3)	Pd1—C1—C7—C6	−92.3 (3)
C29—Pd2—C24—C23	−30.82 (18)	C2—C1—C7—Pd1	60.1 (3)
C29—Pd2—C24—C25	90.9 (2)	C2—C1—C7—C6	−32.2 (5)
Br2—Pd2—C29—C23	−156.13 (16)	Pd1—C2—C3—C4	60.2 (4)
Br2—Pd2—C29—C28	79.45 (19)	C1—C2—C3—C4	−13.5 (6)
C23—Pd2—C29—C28	−124.4 (3)	C2—C3—C4—C5	−7.3 (6)
C24—Pd2—C29—C23	29.91 (18)	C3—C4—C5—C6	2.4 (6)
C24—Pd2—C29—C28	−94.5 (2)	C4—C5—C6—N5	−172.5 (3)
C29—Pd2—C23—C24	131.0 (3)	C4—C5—C6—C7	6.9 (5)
Br1—Pd2—C24—C23	151.67 (16)	N5—C6—C7—Pd1	113.8 (2)
C74—N1—C71—C72	−134.7 (3)	N5—C6—C7—C1	−173.2 (3)
C71—N1—C74—N2	175.7 (2)	C5—C6—C7—Pd1	−65.6 (4)
C75—N1—C71—C70	−146.5 (3)	C5—C6—C7—C1	7.4 (5)
C75—N1—C71—C72	40.1 (4)	N5—C9—C10—N6	0.4 (3)
C74—N1—C71—C70	38.7 (4)	N6—C11—C12—C13	−174.2 (3)
C74—N1—C75—C76	−0.1 (3)	N6—C11—C12—C17	5.5 (4)
C75—N1—C74—N2	0.1 (3)	C16—C11—C12—C13	1.3 (4)
C71—N1—C75—C76	−175.6 (3)	C16—C11—C12—C17	−179.1 (3)
C77—N2—C74—N1	−172.4 (3)	N6—C11—C16—C15	174.2 (3)
C74—N2—C76—C75	0.0 (3)	N6—C11—C16—C20	−7.0 (4)
C77—N2—C76—C75	172.5 (3)	C12—C11—C16—C15	−1.2 (4)
C74—N2—C77—C78	84.1 (4)	C12—C11—C16—C20	177.6 (3)
C76—N2—C74—N1	0.0 (3)	C11—C12—C13—C14	0.0 (4)
C76—N2—C77—C82	90.4 (4)	C17—C12—C13—C14	−179.7 (3)
C74—N2—C77—C82	−98.4 (4)	C11—C12—C17—C18	120.5 (3)
C76—N2—C77—C78	−87.1 (4)	C11—C12—C17—C19	−115.4 (3)
C52—N3—C50—C49	138.8 (3)	C13—C12—C17—C18	−59.9 (4)
C53—N3—C50—C51	134.4 (3)	C13—C12—C17—C19	64.2 (4)
C52—N3—C50—C51	−43.8 (4)	C12—C13—C14—C15	−1.3 (5)
C53—N3—C50—C49	−43.1 (4)	C13—C14—C15—C16	1.4 (5)
C52—N3—C53—C54	0.4 (4)	C14—C15—C16—C11	−0.2 (5)
C50—N3—C53—C54	−178.1 (3)	C14—C15—C16—C20	−179.0 (3)
C50—N3—C52—N4	178.3 (3)	C11—C16—C20—C21	124.7 (3)
C53—N3—C52—N4	−0.2 (3)	C11—C16—C20—C22	−111.3 (3)
C55—N4—C54—C53	−175.8 (3)	C15—C16—C20—C21	−56.6 (4)
C52—N4—C55—C56	−89.4 (4)	C15—C16—C20—C22	67.4 (4)
C52—N4—C55—C60	91.0 (4)	Pd2—C23—C24—C25	−98.0 (3)
C54—N4—C55—C56	86.2 (4)	C29—C23—C24—Pd2	58.5 (3)
C52—N4—C54—C53	0.4 (4)	C29—C23—C24—C25	−39.4 (5)
C54—N4—C52—N3	−0.1 (4)	Pd2—C23—C29—C28	92.1 (3)
C55—N4—C52—N3	176.1 (3)	C24—C23—C29—Pd2	−60.3 (3)
C54—N4—C55—C60	−93.5 (4)	C24—C23—C29—C28	31.8 (5)
C46—C45—C51—Pd3	−58.4 (3)	Pd2—C24—C25—C26	−57.9 (4)
C46—C45—C51—C50	34.9 (5)	C23—C24—C25—C26	16.1 (6)
Pd3—C45—C46—C47	−93.9 (3)	C24—C25—C26—C27	8.5 (6)
C51—C45—C46—Pd3	57.6 (3)	C25—C26—C27—C28	−4.6 (6)
C51—C45—C46—C47	−36.2 (5)	C26—C27—C28—N7	167.5 (3)
Pd3—C45—C51—C50	93.3 (3)	C26—C27—C28—C29	−8.3 (6)
C45—C46—C47—C48	10.8 (6)	N7—C28—C29—Pd2	−106.5 (2)
Pd3—C46—C47—C48	−62.5 (4)	N7—C28—C29—C23	−179.8 (3)
C46—C47—C48—C49	8.5 (6)	C27—C28—C29—Pd2	69.4 (4)
C47—C48—C49—C50	−0.8 (6)	C27—C28—C29—C23	−3.8 (5)
C48—C49—C50—C51	−8.1 (6)	N7—C31—C32—N8	0.6 (4)
C48—C49—C50—N3	168.8 (3)	N8—C33—C34—C35	180.0 (3)
N3—C50—C51—C45	174.0 (3)	N8—C33—C34—C42	−2.4 (5)
N3—C50—C51—Pd3	−112.8 (2)	C38—C33—C34—C35	−0.2 (5)
C49—C50—C51—Pd3	64.1 (4)	C38—C33—C34—C42	177.5 (3)
C49—C50—C51—C45	−9.1 (5)	N8—C33—C38—C37	−179.8 (3)
N3—C53—C54—N4	−0.4 (4)	N8—C33—C38—C39	2.3 (4)
N4—C55—C56—C57	177.4 (3)	C34—C33—C38—C37	0.5 (5)
N4—C55—C56—C61	−4.3 (4)	C34—C33—C38—C39	−177.5 (3)
C60—C55—C56—C57	−3.0 (5)	C33—C34—C35—C36	−0.4 (5)
C60—C55—C56—C61	175.3 (3)	C42—C34—C35—C36	−178.1 (3)
C56—C55—C60—C64	−172.3 (4)	C33—C34—C42—C43	127.0 (4)
N4—C55—C60—C59	−176.7 (3)	C33—C34—C42—C44	−108.9 (4)
N4—C55—C60—C64	7.2 (5)	C35—C34—C42—C43	−55.5 (5)
C56—C55—C60—C59	3.7 (5)	C35—C34—C42—C44	68.7 (5)
C55—C56—C61—C62	126.8 (3)	C34—C35—C36—C37	0.8 (5)
C55—C56—C61—C63	−108.4 (4)	C35—C36—C37—C38	−0.5 (5)
C57—C56—C61—C62	−55.0 (4)	C36—C37—C38—C33	−0.1 (5)
C61—C56—C57—C58	−178.1 (3)	C36—C37—C38—C39	177.9 (3)
C55—C56—C57—C58	0.2 (5)	C33—C38—C39—C40	−138.3 (3)
C57—C56—C61—C63	69.9 (4)	C33—C38—C39—C41	98.5 (4)
C56—C57—C58—C59	1.5 (6)	C37—C38—C39—C40	43.9 (4)
C57—C58—C59—C60	−0.7 (6)	C37—C38—C39—C41	−79.3 (4)
C58—C59—C60—C64	174.4 (4)

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