A triangular palladium(II) supra­molecular coordination complex based on 1,4-bis­(1H-imidazol-1-yl)benzene and (2,2′-bipyrid­yl)palladium(II) nitrate: synthesis and crystal structure

The self-assembly of ditopic bis­(1H-imidazol-1-yl)benzene ligands (L^H) and the complex (2,2′-bipyridyl-κ²N,N′)bis­(nitrato-κO)palladium(II) affords the supra­molecular coordination complex tris­[μ-bis­(1H-imidazol-1-yl)benzene-κ²N³:N^3′]-triangulo-tris­[(2,2′-bipyridyl-κ²N,N′)palladium(II)] hexa­kis­(hexafluorido­phos­phate) aceto­nitrile hepta­solvate, [Pd₃(C₁₀H₈N₂)₃(C₁₂H₁₀N₄)₃](PF₆)₆·7CH₃CN, 2. The structure of 2 was characterized in aceto­nitrile-d₃ by ¹H/¹³C NMR spectroscopy and a DOSY experiment. The trimeric nature of supra­molecular coordination complex 2 in solution was ascertained by cold spray ionization mass spectrometry (CSI–MS) and confirmed in the solid state by X-ray structure analysis. The asymmetric unit of 2 comprises the trimetallic Pd complex, six PF₆⁻ counter-ions and seven aceto­nitrile solvent mol­ecules. Moreover, there is one cavity within the unit cell which could contain diethyl ether solvent mol­ecules, as suggested by the crystallization process. The packing is stabilized by weak inter- and intra­molecular C—H...N and C—H...F inter­actions. Inter­estingly, the crystal structure displays two distinct conformations for the L^H ligand (i.e. syn and anti), with an all-syn-[Pd] coordination mode. This result is in contrast to the solution behaviour, where multiple structures with syn/anti-L^H and syn/anti-[Pd] are a priori possible and expected to be in rapid equilibrium.

Computing details

Data collection: CrysAlis PRO (Rigaku OD, 2016); cell refinement: CrysAlis PRO (Rigaku OD, 2016); data reduction: CrysAlis PRO (Rigaku OD, 2016); program(s) used to solve structure: SHELXT (Sheldrick, 2015a); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015b); molecular graphics: ORTEPIII (Burnett & Johnson, 1996) and ORTEP-3 for Windows (Farrugia, 2012); software used to prepare material for publication: SHELXL2014 (Sheldrick, 2015b).

Tris[µ-bis(1H-imidazol-1-yl)benzene-κ²N³:N^3']-triangulo-tris[(2,2'-bipyridyl-κ²N,N')palladium(II)] hexakis(hexafluoridophosphate) acetonitrile heptasolvate

Crystal data

[Pd3(C10H8N2)3(C12H10N4)3](PF6)6·7C2H3N	Z = 2
Mr = 2575.67	F(000) = 2564
Triclinic, P1	Dx = 1.564 Mg m^−3
a = 17.8173 (4) Å	Mo Kα radiation, λ = 0.71073 Å
b = 18.0361 (4) Å	Cell parameters from 16442 reflections
c = 18.0674 (4) Å	θ = 3.6–28.2°
α = 105.211 (2)°	µ = 0.69 mm^−1
β = 93.579 (2)°	T = 173 K
γ = 100.586 (2)°	Platelet, colourless
V = 5469.7 (2) Å^3	0.37 × 0.31 × 0.16 mm

Data collection

Rigaku Xcalibur Eos Gemini ultra diffractometer	19228 independent reflections
Radiation source: Enhance (Mo) X-ray Source	15197 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.028
Detector resolution: 16.1978 pixels mm^-1	θmax = 25.0°, θmin = 3.2°
ω scans	h = −21→21
Absorption correction: multi-scan (CrysAlis PRO; Rigaku OD, 2016)	k = −21→20
Tmin = 0.737, Tmax = 1.00	l = −20→21
50923 measured reflections

Refinement

Refinement on F^2	76 restraints
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.051	H-atom parameters constrained
wR(F^2) = 0.149	w = 1/[σ^2(Fo^2) + (0.0833P)^2 + 7.4981P] where P = (Fo^2 + 2Fc^2)/3
S = 1.10	(Δ/σ)max = 0.002
19228 reflections	Δρmax = 2.24 e Å^−3
1396 parameters	Δρmin = −0.98 e Å^−3

Special details

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

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

	x	y	z	Uiso*/Ueq	Occ. (<1)
Pd1	0.35539 (2)	0.59383 (2)	0.08982 (2)	0.02113 (10)
Pd2	0.32669 (2)	−0.01104 (2)	0.37735 (2)	0.02284 (10)
Pd3	0.09817 (2)	0.60093 (2)	0.76459 (2)	0.02525 (10)
N11	0.3364 (2)	0.5506 (2)	−0.0257 (2)	0.0236 (8)
N12	0.3350 (2)	0.6909 (2)	0.0636 (2)	0.0250 (8)
N13	0.3613 (2)	0.6380 (2)	0.2047 (2)	0.0251 (8)
N14	0.3889 (2)	0.4982 (2)	0.1065 (2)	0.0239 (8)
N15	0.3232 (2)	0.6561 (2)	0.3202 (2)	0.0269 (8)
N16	0.3975 (2)	0.3860 (2)	0.1270 (2)	0.0236 (8)
N21	0.3562 (2)	−0.0514 (2)	0.4668 (2)	0.0244 (8)
N22	0.4217 (2)	−0.0478 (2)	0.3418 (2)	0.0274 (8)
N23	0.3057 (2)	0.0290 (2)	0.2859 (2)	0.0254 (8)
N24	0.2328 (2)	0.0233 (2)	0.4177 (2)	0.0254 (8)
N25	0.3164 (2)	0.1062 (2)	0.2105 (2)	0.0266 (8)
N26	0.1573 (2)	0.0982 (2)	0.4718 (2)	0.0282 (8)
N31	0.1206 (2)	0.7137 (2)	0.8275 (2)	0.0259 (8)
N32	0.1064 (2)	0.5848 (2)	0.8708 (2)	0.0292 (9)
N33	0.0656 (2)	0.4856 (2)	0.7092 (2)	0.0289 (8)
N34	0.0930 (2)	0.6216 (2)	0.6600 (2)	0.0275 (8)
N35	0.0612 (2)	0.3656 (2)	0.6403 (2)	0.0275 (8)
N36	0.1289 (2)	0.6329 (2)	0.5494 (2)	0.0307 (9)
C111	0.3325 (3)	0.4759 (3)	−0.0660 (3)	0.0327 (11)
H111	0.3433	0.4395	−0.0393	0.039*
C112	0.3134 (3)	0.4505 (3)	−0.1446 (3)	0.0402 (12)
H112	0.3100	0.3970	−0.1718	0.048*
C113	0.2994 (3)	0.5033 (3)	−0.1835 (3)	0.0437 (13)
H113	0.2871	0.4869	−0.2380	0.052*
C114	0.3034 (3)	0.5804 (3)	−0.1427 (3)	0.0357 (11)
H114	0.2938	0.6175	−0.1690	0.043*
C115	0.3214 (3)	0.6033 (3)	−0.0638 (2)	0.0261 (10)
C121	0.3402 (3)	0.7610 (3)	0.1129 (3)	0.0337 (11)
H121	0.3482	0.7666	0.1667	0.040*
C122	0.3344 (3)	0.8266 (3)	0.0880 (3)	0.0406 (12)
H122	0.3375	0.8761	0.1244	0.049*
C123	0.3241 (3)	0.8192 (3)	0.0109 (3)	0.0400 (12)
H123	0.3208	0.8636	−0.0071	0.048*
C124	0.3186 (3)	0.7463 (3)	−0.0410 (3)	0.0340 (11)
H124	0.3105	0.7400	−0.0950	0.041*
C125	0.3250 (2)	0.6823 (3)	−0.0136 (3)	0.0273 (10)
C131	0.3034 (3)	0.6210 (3)	0.2441 (2)	0.0250 (9)
H131	0.2547	0.5886	0.2218	0.030*
C132	0.4214 (3)	0.6859 (3)	0.2586 (3)	0.0346 (11)
H132	0.4708	0.7071	0.2475	0.041*
C133	0.3979 (3)	0.6972 (3)	0.3296 (3)	0.0353 (11)
H133	0.4273	0.7277	0.3770	0.042*
C141	0.3505 (3)	0.4348 (3)	0.1208 (2)	0.0248 (9)
H141	0.2971	0.4250	0.1260	0.030*
C142	0.4638 (3)	0.4892 (3)	0.1036 (3)	0.0312 (10)
H142	0.5049	0.5258	0.0938	0.037*
C143	0.4698 (3)	0.4208 (3)	0.1166 (3)	0.0318 (11)
H143	0.5151	0.4004	0.1183	0.038*
C161	0.3767 (3)	0.3126 (3)	0.1458 (2)	0.0260 (10)
C162	0.4259 (3)	0.2960 (3)	0.1981 (3)	0.0308 (10)
H162	0.4725	0.3323	0.2209	0.037*
C163	0.4069 (3)	0.2262 (3)	0.2173 (3)	0.0304 (10)
H163	0.4414	0.2129	0.2516	0.036*
C164	0.3374 (3)	0.1758 (3)	0.1863 (2)	0.0252 (9)
C165	0.2881 (3)	0.1924 (3)	0.1330 (3)	0.0355 (11)
H165	0.2410	0.1567	0.1111	0.043*
C166	0.3084 (3)	0.2613 (3)	0.1123 (3)	0.0328 (11)
H166	0.2757	0.2732	0.0754	0.039*
C211	0.3172 (3)	−0.0526 (3)	0.5281 (3)	0.0313 (11)
H211	0.2716	−0.0321	0.5316	0.038*
C212	0.3418 (3)	−0.0829 (3)	0.5863 (3)	0.0366 (12)
H212	0.3131	−0.0839	0.6288	0.044*
C213	0.4088 (3)	−0.1117 (3)	0.5813 (3)	0.0387 (12)
H213	0.4271	−0.1319	0.6209	0.046*
C214	0.4490 (3)	−0.1106 (3)	0.5181 (3)	0.0339 (11)
H214	0.4950	−0.1302	0.5139	0.041*
C215	0.4212 (3)	−0.0807 (2)	0.4610 (3)	0.0265 (10)
C221	0.4498 (3)	−0.0454 (3)	0.2751 (3)	0.0337 (11)
H221	0.4254	−0.0216	0.2419	0.040*
C222	0.5123 (3)	−0.0758 (3)	0.2533 (3)	0.0431 (13)
H222	0.5301	−0.0749	0.2050	0.052*
C223	0.5492 (3)	−0.1080 (3)	0.3027 (3)	0.0429 (13)
H223	0.5933	−0.1288	0.2890	0.052*
C224	0.5218 (3)	−0.1099 (3)	0.3717 (3)	0.0372 (12)
H224	0.5470	−0.1317	0.4062	0.045*
C225	0.4577 (3)	−0.0801 (2)	0.3904 (3)	0.0273 (10)
C231	0.3372 (3)	0.0997 (3)	0.2812 (2)	0.0264 (10)
H231	0.3695	0.1398	0.3215	0.032*
C232	0.2627 (3)	−0.0109 (3)	0.2162 (3)	0.0310 (10)
H232	0.2335	−0.0631	0.2034	0.037*
C233	0.2688 (3)	0.0362 (3)	0.1691 (3)	0.0337 (11)
H233	0.2451	0.0237	0.1176	0.040*
C241	0.2272 (3)	0.0960 (3)	0.4498 (3)	0.0311 (10)
H241	0.2672	0.1408	0.4565	0.037*
C242	0.1633 (3)	−0.0237 (3)	0.4192 (3)	0.0446 (13)
H242	0.1506	−0.0793	0.3995	0.054*
C243	0.1164 (3)	0.0216 (3)	0.4528 (3)	0.0470 (14)
H243	0.0650	0.0045	0.4618	0.056*
C261	0.1313 (3)	0.1658 (3)	0.5137 (3)	0.0275 (10)
C262	0.0836 (3)	0.1595 (3)	0.5703 (3)	0.0368 (11)
H262	0.0671	0.1103	0.5804	0.044*
C263	0.0602 (3)	0.2260 (3)	0.6122 (3)	0.0366 (12)
H263	0.0278	0.2228	0.6515	0.044*
C264	0.0846 (3)	0.2967 (3)	0.5961 (3)	0.0312 (10)
C265	0.1316 (3)	0.3028 (3)	0.5396 (3)	0.0441 (13)
H265	0.1483	0.3520	0.5296	0.053*
C266	0.1546 (4)	0.2359 (3)	0.4971 (3)	0.0473 (15)
H266	0.1861	0.2389	0.4570	0.057*
C311	0.1275 (3)	0.7773 (3)	0.8003 (3)	0.0327 (11)
H311	0.1283	0.7703	0.7464	0.039*
C312	0.1332 (3)	0.8512 (3)	0.8477 (3)	0.0391 (12)
H312	0.1375	0.8949	0.8270	0.047*
C313	0.1327 (3)	0.8619 (3)	0.9265 (3)	0.0449 (13)
H313	0.1365	0.9129	0.9604	0.054*
C314	0.1267 (3)	0.7981 (3)	0.9548 (3)	0.0361 (11)
H314	0.1259	0.8045	1.0086	0.043*
C315	0.1218 (3)	0.7247 (3)	0.9051 (3)	0.0290 (10)
C321	0.1036 (3)	0.5171 (3)	0.8875 (3)	0.0405 (12)
H321	0.0974	0.4706	0.8460	0.049*
C322	0.1093 (4)	0.5108 (3)	0.9614 (3)	0.0465 (14)
H322	0.1066	0.4612	0.9713	0.056*
C323	0.1190 (4)	0.5791 (4)	1.0215 (3)	0.0494 (14)
H323	0.1233	0.5769	1.0735	0.059*
C324	0.1225 (3)	0.6496 (3)	1.0055 (3)	0.0413 (12)
H324	0.1291	0.6968	1.0463	0.050*
C325	0.1162 (3)	0.6515 (3)	0.9292 (3)	0.0301 (10)
C331	0.1042 (3)	0.4383 (3)	0.6661 (3)	0.0297 (10)
H331	0.1552	0.4537	0.6549	0.036*
C332	−0.0058 (3)	0.4408 (3)	0.7107 (3)	0.0358 (11)
H332	−0.0460	0.4595	0.7371	0.043*
C333	−0.0090 (3)	0.3666 (3)	0.6685 (3)	0.0364 (11)
H333	−0.0512	0.3234	0.6599	0.044*
C341	0.1527 (3)	0.6330 (3)	0.6213 (3)	0.0301 (10)
H341	0.2049	0.6402	0.6415	0.036*
C342	0.0285 (3)	0.6136 (4)	0.6110 (3)	0.0429 (13)
H342	−0.0230	0.6051	0.6231	0.052*
C343	0.0506 (3)	0.6199 (4)	0.5426 (3)	0.0527 (16)
H343	0.0176	0.6160	0.4977	0.063*
C361	0.1784 (3)	0.6405 (3)	0.4911 (2)	0.0294 (10)
C362	0.2303 (4)	0.7083 (3)	0.4993 (3)	0.0479 (15)
H362	0.2336	0.7517	0.5434	0.057*
C363	0.2786 (4)	0.7133 (3)	0.4424 (3)	0.0513 (16)
H363	0.3149	0.7606	0.4475	0.062*
C364	0.2740 (3)	0.6503 (3)	0.3790 (2)	0.0269 (10)
C365	0.2215 (3)	0.5816 (3)	0.3712 (3)	0.0386 (12)
H365	0.2182	0.5381	0.3271	0.046*
C366	0.1739 (3)	0.5763 (3)	0.4277 (3)	0.0394 (12)
H366	0.1382	0.5288	0.4232	0.047*
P1	0.58401 (9)	0.73355 (8)	0.09936 (8)	0.0400 (3)
F11	0.5104 (2)	0.7604 (2)	0.1329 (2)	0.0748 (11)
F12	0.6550 (3)	0.7024 (3)	0.0662 (3)	0.1023 (17)
F13	0.6271 (4)	0.8191 (3)	0.1288 (5)	0.168 (3)
F14	0.6067 (4)	0.7194 (5)	0.1772 (3)	0.166 (3)
F15	0.5399 (3)	0.6468 (3)	0.0717 (4)	0.1159 (19)
F16	0.5599 (5)	0.7450 (4)	0.0209 (3)	0.151 (3)
P2	0.64533 (8)	0.23456 (10)	0.25505 (8)	0.0469 (4)
F21	0.5946 (2)	0.2737 (3)	0.2073 (3)	0.0791 (13)
F22	0.6973 (2)	0.1929 (3)	0.2979 (2)	0.0821 (13)
F23	0.6448 (3)	0.2947 (3)	0.3336 (3)	0.1090 (18)
F24	0.5709 (2)	0.1777 (3)	0.2667 (3)	0.0937 (16)
F25	0.6505 (3)	0.1731 (3)	0.1745 (2)	0.0905 (14)
F26	0.72065 (19)	0.2899 (2)	0.2400 (2)	0.0630 (10)
P3	0.42979 (9)	0.28349 (9)	0.48217 (9)	0.0478 (4)
F31	0.4069 (3)	0.1879 (3)	0.4620 (3)	0.1037 (17)
F32	0.4481 (3)	0.3728 (2)	0.5105 (3)	0.1027 (16)
F33	0.4314 (3)	0.2750 (4)	0.5683 (3)	0.121 (2)
F34	0.5184 (2)	0.2833 (3)	0.4917 (3)	0.0927 (15)
F35	0.4301 (3)	0.2857 (4)	0.3988 (2)	0.128 (2)
F36	0.3423 (3)	0.2805 (4)	0.4760 (5)	0.147 (3)
P4	0.15420 (10)	0.76149 (10)	0.23326 (10)	0.0505 (4)
F41	0.0937 (4)	0.8004 (4)	0.2766 (3)	0.119 (2)
F42	0.2041 (3)	0.7107 (3)	0.1772 (3)	0.0853 (13)
F43	0.2274 (4)	0.8219 (4)	0.2714 (3)	0.154 (3)
F44	0.1623 (2)	0.7134 (4)	0.2914 (3)	0.115 (2)
F45	0.0789 (3)	0.6944 (3)	0.1875 (3)	0.0849 (13)
F46	0.1453 (3)	0.8026 (2)	0.1652 (2)	0.0853 (14)
P5	−0.10019 (10)	0.10467 (12)	0.37982 (11)	0.0618 (5)
F51	−0.0186 (4)	0.1578 (6)	0.3957 (5)	0.196 (4)
F52	−0.1802 (3)	0.0482 (4)	0.3641 (4)	0.131 (2)
F53	−0.1150 (4)	0.1335 (4)	0.4658 (3)	0.128 (2)
F54	−0.0645 (4)	0.0359 (4)	0.3970 (4)	0.146 (3)
F55	−0.1361 (4)	0.1713 (4)	0.3609 (3)	0.130 (2)
F56	−0.0879 (3)	0.0749 (3)	0.2924 (3)	0.1019 (16)
P6	−0.11837 (8)	0.60652 (8)	0.86078 (8)	0.0379 (3)
F61	−0.0723 (2)	0.6047 (3)	0.7882 (2)	0.0804 (13)
F62	−0.1651 (3)	0.6075 (4)	0.9318 (2)	0.1038 (18)
F63	−0.0520 (5)	0.6801 (6)	0.9018 (7)	0.106 (4)	0.6
F64	−0.0656 (6)	0.5563 (8)	0.8858 (8)	0.081 (3)	0.6
F65	−0.1802 (6)	0.5367 (8)	0.8180 (8)	0.123 (5)	0.6
F66	−0.1654 (6)	0.6656 (8)	0.8375 (8)	0.090 (3)	0.6
F63A	−0.0515 (7)	0.6071 (14)	0.9211 (8)	0.096 (6)	0.4
F64A	−0.1265 (15)	0.5119 (6)	0.8342 (9)	0.099 (5)	0.4
F65A	−0.1929 (6)	0.5910 (17)	0.8021 (6)	0.098 (6)	0.4
F66A	−0.109 (2)	0.6936 (7)	0.8901 (11)	0.180 (12)	0.4
N100	0.1681 (4)	0.3877 (3)	0.3979 (3)	0.0664 (16)
C100	0.2819 (4)	0.3491 (5)	0.3263 (4)	0.0694 (19)
H10A	0.3150	0.3964	0.3202	0.104*
H10B	0.2626	0.3125	0.2753	0.104*
H10C	0.3116	0.3239	0.3562	0.104*
C101	0.2177 (4)	0.3704 (3)	0.3664 (3)	0.0480 (14)
N200	0.1764 (4)	0.1553 (4)	0.2955 (4)	0.0734 (17)
C200	0.0616 (4)	0.2109 (6)	0.2578 (6)	0.097 (3)
H20A	0.0406	0.2358	0.3047	0.146*
H20B	0.0219	0.1679	0.2247	0.146*
H20C	0.0781	0.2498	0.2299	0.146*
C201	0.1274 (4)	0.1796 (4)	0.2789 (4)	0.0561 (16)
N300	−0.1320 (4)	0.6636 (4)	0.1977 (4)	0.0817 (19)
C300	−0.0675 (7)	0.7376 (7)	0.1040 (6)	0.134 (4)
H30A	−0.0858	0.7865	0.1084	0.200*
H30B	−0.0799	0.7042	0.0506	0.200*
H30C	−0.0116	0.7499	0.1181	0.200*
C301	−0.1053 (5)	0.6958 (5)	0.1565 (5)	0.076 (2)
N400	0.5425 (4)	0.9887 (3)	−0.1171 (3)	0.0669 (16)
C400	0.5226 (4)	0.8796 (3)	−0.0477 (3)	0.0519 (15)
H40A	0.5724	0.8678	−0.0343	0.078*
H40B	0.4888	0.8322	−0.0817	0.078*
H40C	0.4990	0.8976	−0.0005	0.078*
C401	0.5338 (3)	0.9406 (3)	−0.0869 (3)	0.0455 (13)
N500	0.7041 (4)	0.9992 (4)	0.0290 (4)	0.088 (2)
C500	0.6922 (7)	1.0047 (6)	0.1715 (5)	0.117 (4)
H50A	0.6400	1.0102	0.1825	0.176*
H50B	0.7294	1.0500	0.2046	0.176*
H50C	0.7023	0.9564	0.1815	0.176*
C501	0.6994 (5)	1.0010 (5)	0.0905 (5)	0.080 (2)
N600	0.7235 (3)	0.5036 (4)	0.3855 (4)	0.0713 (16)
C600	0.6318 (5)	0.4533 (5)	0.4754 (5)	0.092 (3)
H60A	0.5805	0.4309	0.4470	0.139*
H60B	0.6288	0.4967	0.5203	0.139*
H60C	0.6515	0.4127	0.4929	0.139*
C601	0.6837 (4)	0.4826 (4)	0.4246 (4)	0.0637 (18)
N800	0.0837 (5)	0.9501 (7)	1.0991 (5)	0.132 (4)
C800	0.0453 (5)	0.9654 (5)	1.2360 (5)	0.079 (2)
H80A	0.0365	0.9143	1.2469	0.119*
H80B	−0.0018	0.9862	1.2402	0.119*
H80C	0.0868	1.0020	1.2732	0.119*
C801	0.0659 (5)	0.9567 (5)	1.1610 (5)	0.081 (2)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Pd1	0.02667 (19)	0.02394 (19)	0.01746 (17)	0.00851 (14)	0.00658 (13)	0.01073 (13)
Pd2	0.0315 (2)	0.02070 (18)	0.01988 (18)	0.00896 (14)	0.00661 (13)	0.00862 (13)
Pd3	0.0287 (2)	0.0308 (2)	0.01974 (18)	0.01004 (15)	0.01075 (13)	0.00846 (14)
N11	0.0247 (19)	0.027 (2)	0.0217 (18)	0.0085 (16)	0.0063 (15)	0.0087 (15)
N12	0.029 (2)	0.029 (2)	0.0232 (19)	0.0109 (16)	0.0077 (15)	0.0134 (16)
N13	0.032 (2)	0.027 (2)	0.0206 (18)	0.0080 (16)	0.0070 (15)	0.0115 (15)
N14	0.029 (2)	0.025 (2)	0.0228 (19)	0.0086 (16)	0.0051 (15)	0.0121 (15)
N15	0.034 (2)	0.030 (2)	0.0193 (19)	0.0059 (17)	0.0066 (15)	0.0103 (15)
N16	0.0243 (19)	0.025 (2)	0.0256 (19)	0.0080 (16)	0.0061 (15)	0.0119 (15)
N21	0.033 (2)	0.0175 (18)	0.0238 (19)	0.0053 (16)	0.0035 (15)	0.0068 (14)
N22	0.033 (2)	0.025 (2)	0.0237 (19)	0.0063 (17)	0.0019 (16)	0.0070 (15)
N23	0.033 (2)	0.024 (2)	0.0234 (19)	0.0090 (16)	0.0056 (16)	0.0101 (15)
N24	0.030 (2)	0.025 (2)	0.0248 (19)	0.0097 (16)	0.0054 (15)	0.0097 (15)
N25	0.032 (2)	0.026 (2)	0.0240 (19)	0.0079 (17)	0.0061 (16)	0.0101 (16)
N26	0.034 (2)	0.026 (2)	0.026 (2)	0.0067 (17)	0.0059 (16)	0.0072 (16)
N31	0.025 (2)	0.032 (2)	0.0211 (19)	0.0075 (16)	0.0057 (15)	0.0073 (15)
N32	0.033 (2)	0.036 (2)	0.024 (2)	0.0120 (18)	0.0110 (16)	0.0119 (17)
N33	0.032 (2)	0.031 (2)	0.025 (2)	0.0090 (17)	0.0111 (16)	0.0073 (16)
N34	0.033 (2)	0.029 (2)	0.0230 (19)	0.0080 (17)	0.0085 (16)	0.0097 (16)
N35	0.029 (2)	0.031 (2)	0.0250 (19)	0.0114 (17)	0.0094 (16)	0.0071 (16)
N36	0.030 (2)	0.044 (2)	0.0202 (19)	0.0082 (18)	0.0067 (16)	0.0119 (17)
C111	0.039 (3)	0.034 (3)	0.027 (2)	0.011 (2)	0.006 (2)	0.008 (2)
C112	0.046 (3)	0.040 (3)	0.032 (3)	0.014 (2)	0.003 (2)	0.002 (2)
C113	0.048 (3)	0.058 (4)	0.020 (2)	0.010 (3)	0.001 (2)	0.005 (2)
C114	0.035 (3)	0.051 (3)	0.025 (2)	0.009 (2)	0.002 (2)	0.019 (2)
C115	0.024 (2)	0.037 (3)	0.023 (2)	0.008 (2)	0.0056 (17)	0.0160 (19)
C121	0.045 (3)	0.033 (3)	0.029 (3)	0.013 (2)	0.010 (2)	0.014 (2)
C122	0.051 (3)	0.028 (3)	0.049 (3)	0.018 (2)	0.009 (2)	0.013 (2)
C123	0.043 (3)	0.037 (3)	0.055 (3)	0.018 (2)	0.011 (2)	0.032 (3)
C124	0.037 (3)	0.041 (3)	0.034 (3)	0.010 (2)	0.008 (2)	0.024 (2)
C125	0.022 (2)	0.037 (3)	0.031 (2)	0.010 (2)	0.0070 (18)	0.021 (2)
C131	0.030 (2)	0.027 (2)	0.019 (2)	0.0073 (19)	0.0029 (18)	0.0080 (18)
C132	0.029 (3)	0.042 (3)	0.031 (3)	−0.001 (2)	0.005 (2)	0.014 (2)
C133	0.035 (3)	0.042 (3)	0.023 (2)	−0.005 (2)	0.000 (2)	0.007 (2)
C141	0.023 (2)	0.031 (2)	0.024 (2)	0.0070 (19)	0.0070 (17)	0.0141 (19)
C142	0.030 (3)	0.031 (3)	0.038 (3)	0.008 (2)	0.011 (2)	0.017 (2)
C143	0.026 (2)	0.037 (3)	0.039 (3)	0.011 (2)	0.013 (2)	0.017 (2)
C161	0.032 (3)	0.029 (2)	0.024 (2)	0.012 (2)	0.0113 (19)	0.0144 (19)
C162	0.030 (3)	0.028 (3)	0.038 (3)	0.009 (2)	0.005 (2)	0.012 (2)
C163	0.033 (3)	0.032 (3)	0.032 (3)	0.013 (2)	0.001 (2)	0.016 (2)
C164	0.033 (3)	0.023 (2)	0.025 (2)	0.0109 (19)	0.0084 (19)	0.0101 (18)
C165	0.037 (3)	0.036 (3)	0.033 (3)	0.000 (2)	−0.002 (2)	0.018 (2)
C166	0.035 (3)	0.036 (3)	0.033 (3)	0.004 (2)	−0.002 (2)	0.022 (2)
C211	0.042 (3)	0.026 (2)	0.028 (2)	0.009 (2)	0.011 (2)	0.0085 (19)
C212	0.053 (3)	0.033 (3)	0.025 (2)	0.004 (2)	0.006 (2)	0.014 (2)
C213	0.054 (3)	0.030 (3)	0.034 (3)	0.003 (2)	−0.009 (2)	0.018 (2)
C214	0.039 (3)	0.030 (3)	0.034 (3)	0.006 (2)	−0.001 (2)	0.013 (2)
C215	0.034 (3)	0.017 (2)	0.029 (2)	0.0036 (19)	0.0027 (19)	0.0084 (18)
C221	0.040 (3)	0.038 (3)	0.026 (2)	0.011 (2)	0.010 (2)	0.010 (2)
C222	0.044 (3)	0.047 (3)	0.041 (3)	0.014 (3)	0.017 (2)	0.011 (2)
C223	0.044 (3)	0.049 (3)	0.039 (3)	0.020 (3)	0.012 (2)	0.009 (2)
C224	0.041 (3)	0.030 (3)	0.044 (3)	0.013 (2)	0.005 (2)	0.012 (2)
C225	0.034 (3)	0.015 (2)	0.031 (2)	0.0030 (19)	−0.0005 (19)	0.0074 (18)
C231	0.032 (3)	0.027 (2)	0.023 (2)	0.009 (2)	0.0042 (18)	0.0096 (18)
C232	0.037 (3)	0.026 (2)	0.031 (3)	0.007 (2)	0.003 (2)	0.0092 (19)
C233	0.045 (3)	0.033 (3)	0.023 (2)	0.006 (2)	0.000 (2)	0.010 (2)
C241	0.036 (3)	0.024 (2)	0.034 (3)	0.005 (2)	0.012 (2)	0.0086 (19)
C242	0.040 (3)	0.028 (3)	0.062 (4)	0.003 (2)	0.016 (3)	0.005 (2)
C243	0.034 (3)	0.032 (3)	0.066 (4)	0.003 (2)	0.015 (3)	−0.002 (3)
C261	0.030 (3)	0.030 (3)	0.026 (2)	0.013 (2)	0.0079 (19)	0.0093 (19)
C262	0.038 (3)	0.033 (3)	0.040 (3)	0.007 (2)	0.012 (2)	0.010 (2)
C263	0.034 (3)	0.043 (3)	0.035 (3)	0.014 (2)	0.014 (2)	0.008 (2)
C264	0.035 (3)	0.034 (3)	0.026 (2)	0.012 (2)	0.007 (2)	0.006 (2)
C265	0.060 (4)	0.037 (3)	0.046 (3)	0.019 (3)	0.028 (3)	0.018 (2)
C266	0.063 (4)	0.057 (4)	0.041 (3)	0.035 (3)	0.036 (3)	0.023 (3)
C311	0.031 (3)	0.036 (3)	0.034 (3)	0.006 (2)	0.006 (2)	0.015 (2)
C312	0.039 (3)	0.036 (3)	0.043 (3)	0.005 (2)	0.001 (2)	0.016 (2)
C313	0.046 (3)	0.034 (3)	0.048 (3)	0.007 (2)	0.002 (3)	0.002 (2)
C314	0.036 (3)	0.040 (3)	0.027 (3)	0.007 (2)	0.002 (2)	0.001 (2)
C315	0.022 (2)	0.035 (3)	0.029 (2)	0.004 (2)	0.0043 (18)	0.008 (2)
C321	0.059 (4)	0.038 (3)	0.032 (3)	0.016 (3)	0.016 (2)	0.015 (2)
C322	0.063 (4)	0.045 (3)	0.040 (3)	0.014 (3)	0.012 (3)	0.022 (3)
C323	0.063 (4)	0.062 (4)	0.030 (3)	0.012 (3)	0.007 (3)	0.026 (3)
C324	0.048 (3)	0.049 (3)	0.025 (3)	0.006 (3)	0.005 (2)	0.009 (2)
C325	0.026 (2)	0.041 (3)	0.026 (2)	0.008 (2)	0.0069 (18)	0.011 (2)
C331	0.034 (3)	0.032 (3)	0.028 (2)	0.010 (2)	0.012 (2)	0.011 (2)
C332	0.036 (3)	0.035 (3)	0.040 (3)	0.012 (2)	0.017 (2)	0.010 (2)
C333	0.031 (3)	0.041 (3)	0.042 (3)	0.008 (2)	0.015 (2)	0.015 (2)
C341	0.029 (3)	0.040 (3)	0.024 (2)	0.009 (2)	0.0046 (19)	0.012 (2)
C342	0.027 (3)	0.071 (4)	0.040 (3)	0.015 (3)	0.010 (2)	0.027 (3)
C343	0.036 (3)	0.098 (5)	0.034 (3)	0.021 (3)	0.003 (2)	0.031 (3)
C361	0.032 (3)	0.038 (3)	0.020 (2)	0.007 (2)	0.0045 (18)	0.0115 (19)
C362	0.068 (4)	0.037 (3)	0.027 (3)	−0.005 (3)	0.020 (3)	−0.003 (2)
C363	0.066 (4)	0.039 (3)	0.035 (3)	−0.013 (3)	0.024 (3)	−0.001 (2)
C364	0.032 (3)	0.034 (3)	0.018 (2)	0.008 (2)	0.0071 (18)	0.0123 (19)
C365	0.050 (3)	0.037 (3)	0.027 (3)	0.004 (2)	0.014 (2)	0.006 (2)
C366	0.049 (3)	0.033 (3)	0.033 (3)	0.002 (2)	0.014 (2)	0.007 (2)
P1	0.0539 (9)	0.0272 (7)	0.0396 (8)	0.0066 (6)	0.0206 (6)	0.0086 (6)
F11	0.070 (3)	0.084 (3)	0.080 (3)	0.033 (2)	0.030 (2)	0.024 (2)
F12	0.100 (4)	0.087 (3)	0.144 (4)	0.050 (3)	0.078 (3)	0.037 (3)
F13	0.103 (4)	0.056 (3)	0.292 (9)	−0.021 (3)	0.069 (5)	−0.030 (4)
F14	0.210 (7)	0.280 (9)	0.061 (3)	0.178 (7)	0.018 (4)	0.051 (4)
F15	0.121 (4)	0.048 (3)	0.163 (5)	−0.011 (3)	0.034 (4)	0.018 (3)
F16	0.295 (9)	0.157 (5)	0.078 (3)	0.158 (6)	0.079 (4)	0.075 (4)
P2	0.0360 (8)	0.0757 (11)	0.0360 (8)	0.0038 (7)	0.0018 (6)	0.0335 (7)
F21	0.038 (2)	0.126 (4)	0.098 (3)	0.023 (2)	0.008 (2)	0.071 (3)
F22	0.075 (3)	0.116 (4)	0.081 (3)	0.016 (2)	0.000 (2)	0.074 (3)
F23	0.142 (5)	0.114 (4)	0.065 (3)	0.017 (3)	0.054 (3)	0.012 (3)
F24	0.056 (2)	0.139 (4)	0.096 (3)	−0.020 (3)	−0.009 (2)	0.082 (3)
F25	0.146 (4)	0.080 (3)	0.049 (2)	0.017 (3)	0.010 (2)	0.028 (2)
F26	0.0414 (19)	0.101 (3)	0.055 (2)	−0.0005 (18)	−0.0037 (16)	0.049 (2)
P3	0.0462 (9)	0.0403 (8)	0.0502 (9)	0.0087 (7)	−0.0081 (7)	0.0044 (6)
F31	0.078 (3)	0.063 (3)	0.162 (5)	0.007 (2)	−0.028 (3)	0.032 (3)
F32	0.155 (5)	0.052 (3)	0.093 (3)	0.031 (3)	0.005 (3)	0.001 (2)
F33	0.101 (4)	0.175 (6)	0.124 (4)	0.021 (4)	0.019 (3)	0.108 (4)
F34	0.053 (2)	0.130 (4)	0.108 (4)	0.014 (3)	−0.005 (2)	0.062 (3)
F35	0.132 (5)	0.224 (7)	0.045 (3)	0.083 (5)	0.010 (3)	0.034 (3)
F36	0.051 (3)	0.147 (5)	0.294 (9)	0.022 (3)	0.005 (4)	0.151 (6)
P4	0.0534 (10)	0.0503 (9)	0.0619 (10)	0.0171 (8)	0.0227 (8)	0.0317 (8)
F41	0.139 (5)	0.142 (5)	0.129 (4)	0.091 (4)	0.078 (4)	0.074 (4)
F42	0.083 (3)	0.096 (3)	0.082 (3)	0.029 (3)	0.019 (2)	0.025 (2)
F43	0.180 (6)	0.159 (5)	0.054 (3)	−0.127 (5)	−0.027 (3)	0.032 (3)
F44	0.054 (3)	0.182 (5)	0.160 (5)	0.016 (3)	0.017 (3)	0.140 (5)
F45	0.074 (3)	0.095 (3)	0.082 (3)	−0.007 (2)	0.001 (2)	0.037 (2)
F46	0.134 (4)	0.061 (2)	0.052 (2)	−0.013 (2)	0.005 (2)	0.0243 (19)
P5	0.0510 (10)	0.0911 (14)	0.0627 (11)	0.0221 (9)	0.0176 (8)	0.0475 (10)
F51	0.098 (5)	0.303 (11)	0.158 (6)	−0.073 (6)	−0.018 (4)	0.103 (7)
F52	0.074 (4)	0.141 (5)	0.175 (6)	0.007 (3)	0.034 (4)	0.046 (4)
F53	0.206 (7)	0.133 (5)	0.073 (3)	0.055 (5)	0.049 (4)	0.056 (3)
F54	0.167 (6)	0.223 (7)	0.144 (5)	0.141 (6)	0.079 (4)	0.134 (5)
F55	0.225 (7)	0.128 (4)	0.092 (4)	0.101 (5)	0.056 (4)	0.073 (3)
F56	0.126 (4)	0.141 (4)	0.073 (3)	0.069 (4)	0.040 (3)	0.056 (3)
P6	0.0277 (7)	0.0481 (8)	0.0412 (8)	0.0140 (6)	0.0071 (6)	0.0130 (6)
F61	0.063 (3)	0.119 (4)	0.086 (3)	0.042 (2)	0.042 (2)	0.051 (3)
F62	0.075 (3)	0.217 (6)	0.059 (3)	0.079 (3)	0.037 (2)	0.066 (3)
F63	0.047 (5)	0.055 (6)	0.181 (10)	−0.010 (4)	0.006 (5)	−0.013 (6)
F64	0.067 (6)	0.104 (8)	0.121 (9)	0.052 (6)	0.047 (6)	0.085 (7)
F65	0.057 (6)	0.082 (7)	0.160 (11)	−0.031 (5)	0.023 (6)	−0.058 (7)
F66	0.080 (6)	0.146 (9)	0.094 (7)	0.088 (6)	0.042 (5)	0.070 (7)
F63A	0.037 (6)	0.160 (18)	0.088 (10)	0.023 (10)	−0.010 (6)	0.032 (10)
F64A	0.167 (17)	0.055 (7)	0.091 (10)	0.029 (10)	0.068 (11)	0.031 (7)
F65A	0.046 (7)	0.24 (2)	0.029 (5)	0.061 (11)	0.014 (4)	0.042 (9)
F66A	0.41 (4)	0.048 (8)	0.108 (14)	0.103 (17)	0.09 (2)	0.015 (8)
N100	0.075 (4)	0.065 (4)	0.078 (4)	0.028 (3)	0.035 (3)	0.036 (3)
C100	0.058 (4)	0.084 (5)	0.079 (5)	0.026 (4)	0.022 (4)	0.033 (4)
C101	0.057 (4)	0.045 (3)	0.049 (3)	0.014 (3)	0.013 (3)	0.022 (3)
N200	0.067 (4)	0.084 (4)	0.075 (4)	0.035 (4)	0.009 (3)	0.017 (3)
C200	0.054 (5)	0.109 (7)	0.155 (9)	0.021 (5)	0.005 (5)	0.080 (7)
C201	0.047 (4)	0.057 (4)	0.065 (4)	0.010 (3)	0.012 (3)	0.018 (3)
N300	0.097 (5)	0.071 (4)	0.078 (5)	0.027 (4)	0.005 (4)	0.017 (4)
C300	0.176 (12)	0.120 (9)	0.089 (7)	−0.006 (8)	−0.038 (7)	0.039 (6)
C301	0.094 (6)	0.061 (5)	0.064 (5)	0.015 (4)	−0.017 (4)	0.006 (4)
N400	0.096 (5)	0.054 (3)	0.057 (3)	0.013 (3)	0.012 (3)	0.028 (3)
C400	0.066 (4)	0.041 (3)	0.053 (4)	0.006 (3)	0.015 (3)	0.020 (3)
C401	0.053 (4)	0.046 (3)	0.038 (3)	0.013 (3)	0.013 (3)	0.011 (3)
N500	0.097 (5)	0.085 (5)	0.073 (5)	−0.013 (4)	−0.011 (4)	0.034 (4)
C500	0.167 (10)	0.095 (7)	0.083 (6)	−0.024 (7)	0.017 (6)	0.046 (5)
C501	0.085 (6)	0.067 (5)	0.079 (6)	−0.022 (4)	−0.016 (4)	0.036 (4)
N600	0.057 (4)	0.093 (5)	0.073 (4)	0.012 (3)	0.024 (3)	0.036 (3)
C600	0.100 (7)	0.099 (6)	0.105 (7)	0.034 (5)	0.066 (5)	0.054 (5)
C601	0.061 (4)	0.080 (5)	0.067 (4)	0.030 (4)	0.028 (4)	0.034 (4)
N800	0.098 (6)	0.194 (10)	0.076 (6)	0.013 (6)	−0.003 (5)	0.004 (6)
C800	0.089 (6)	0.078 (5)	0.078 (5)	0.029 (4)	0.015 (4)	0.024 (4)
C801	0.062 (5)	0.101 (6)	0.077 (6)	0.023 (4)	0.001 (4)	0.018 (5)

Geometric parameters (Å, º)

Pd1—N13	2.007 (3)	C232—C233	1.348 (6)
Pd1—N11	2.010 (3)	C242—C243	1.338 (7)
Pd1—N14	2.013 (3)	C261—C266	1.371 (7)
Pd1—N12	2.017 (3)	C261—C262	1.384 (6)
Pd2—N24	2.002 (4)	C262—C263	1.390 (7)
Pd2—N23	2.009 (3)	C263—C264	1.381 (7)
Pd2—N22	2.010 (4)	C264—C265	1.374 (7)
Pd2—N21	2.017 (3)	C265—C266	1.396 (7)
Pd3—N31	2.005 (4)	C311—C312	1.365 (7)
Pd3—N33	2.014 (4)	C312—C313	1.386 (8)
Pd3—N32	2.015 (4)	C313—C314	1.367 (8)
Pd3—N34	2.019 (3)	C314—C315	1.376 (7)
N11—C111	1.339 (6)	C315—C325	1.482 (7)
N11—C115	1.365 (5)	C321—C322	1.370 (7)
N12—C121	1.325 (6)	C322—C323	1.386 (8)
N12—C125	1.359 (6)	C323—C324	1.368 (8)
N13—C131	1.326 (6)	C324—C325	1.386 (7)
N13—C132	1.388 (6)	C332—C333	1.344 (7)
N14—C141	1.316 (6)	C342—C343	1.346 (7)
N14—C142	1.377 (6)	C361—C362	1.357 (7)
N15—C131	1.349 (6)	C361—C366	1.385 (7)
N15—C133	1.374 (6)	C362—C363	1.392 (7)
N15—C364	1.432 (5)	C363—C364	1.371 (7)
N16—C141	1.341 (6)	C364—C365	1.376 (7)
N16—C143	1.373 (6)	C365—C366	1.379 (7)
N16—C161	1.440 (5)	P1—F13	1.529 (5)
N21—C211	1.347 (6)	P1—F16	1.532 (5)
N21—C215	1.357 (6)	P1—F14	1.538 (5)
N22—C221	1.341 (6)	P1—F15	1.550 (5)
N22—C225	1.362 (6)	P1—F12	1.566 (4)
N23—C231	1.322 (6)	P1—F11	1.582 (4)
N23—C232	1.375 (6)	P2—F23	1.546 (5)
N24—C241	1.313 (6)	P2—F22	1.579 (4)
N24—C242	1.372 (6)	P2—F24	1.581 (4)
N25—C231	1.349 (6)	P2—F21	1.587 (4)
N25—C233	1.380 (6)	P2—F25	1.600 (5)
N25—C164	1.429 (5)	P2—F26	1.602 (4)
N26—C241	1.334 (6)	P3—F35	1.518 (5)
N26—C243	1.381 (7)	P3—F32	1.522 (4)
N26—C261	1.429 (6)	P3—F36	1.546 (5)
N31—C311	1.350 (6)	P3—F34	1.578 (4)
N31—C315	1.363 (6)	P3—F33	1.603 (5)
N32—C321	1.326 (6)	P3—F31	1.632 (5)
N32—C325	1.351 (6)	P4—F43	1.528 (5)
N33—C331	1.319 (6)	P4—F41	1.537 (5)
N33—C332	1.381 (6)	P4—F44	1.542 (4)
N34—C341	1.324 (6)	P4—F42	1.606 (5)
N34—C342	1.369 (6)	P4—F46	1.607 (4)
N35—C331	1.338 (6)	P4—F45	1.639 (5)
N35—C333	1.382 (6)	P5—F51	1.550 (6)
N35—C264	1.437 (6)	P5—F52	1.554 (6)
N36—C341	1.340 (6)	P5—F53	1.560 (5)
N36—C343	1.364 (7)	P5—F55	1.563 (5)
N36—C361	1.434 (6)	P5—F56	1.573 (5)
C111—C112	1.373 (7)	P5—F54	1.583 (5)
C112—C113	1.370 (7)	P6—F66A	1.494 (10)
C113—C114	1.378 (8)	P6—F65	1.507 (7)
C114—C115	1.375 (6)	P6—F64	1.544 (7)
C115—C125	1.463 (7)	P6—F63A	1.560 (10)
C121—C122	1.390 (7)	P6—F62	1.571 (4)
C122—C123	1.362 (7)	P6—F65A	1.580 (9)
C123—C124	1.382 (7)	P6—F63	1.583 (7)
C124—C125	1.390 (6)	P6—F61	1.586 (4)
C132—C133	1.350 (7)	P6—F66	1.592 (6)
C142—C143	1.335 (7)	P6—F64A	1.623 (9)
C161—C162	1.376 (6)	N100—C101	1.129 (7)
C161—C166	1.380 (7)	C100—C101	1.450 (9)
C162—C163	1.382 (6)	N200—C201	1.104 (8)
C163—C164	1.380 (7)	C200—C201	1.463 (10)
C164—C165	1.388 (6)	N300—C301	1.135 (10)
C165—C166	1.384 (6)	C300—C301	1.482 (14)
C211—C212	1.389 (7)	N400—C401	1.133 (7)
C212—C213	1.386 (8)	C400—C401	1.448 (8)
C213—C214	1.388 (7)	N500—C501	1.113 (9)
C214—C215	1.388 (6)	C500—C501	1.461 (12)
C215—C225	1.471 (6)	N600—C601	1.117 (8)
C221—C222	1.364 (7)	C600—C601	1.469 (9)
C222—C223	1.380 (8)	N800—C801	1.164 (11)
C223—C224	1.372 (7)	C800—C801	1.401 (11)
C224—C225	1.374 (7)
N13—Pd1—N11	173.25 (15)	N31—C315—C325	114.2 (4)
N13—Pd1—N14	89.23 (14)	C314—C315—C325	124.6 (4)
N11—Pd1—N14	94.34 (14)	N32—C321—C322	123.3 (5)
N13—Pd1—N12	95.81 (14)	C321—C322—C323	117.9 (5)
N11—Pd1—N12	81.38 (14)	C324—C323—C322	119.7 (5)
N14—Pd1—N12	171.43 (14)	C323—C324—C325	119.3 (5)
N24—Pd2—N23	88.49 (14)	N32—C325—C324	120.9 (5)
N24—Pd2—N22	176.89 (14)	N32—C325—C315	115.2 (4)
N23—Pd2—N22	94.61 (15)	C324—C325—C315	123.9 (5)
N24—Pd2—N21	95.85 (14)	N33—C331—N35	110.2 (4)
N23—Pd2—N21	175.49 (15)	C333—C332—N33	108.9 (4)
N22—Pd2—N21	81.05 (14)	C332—C333—N35	106.3 (4)
N31—Pd3—N33	173.23 (14)	N34—C341—N36	110.2 (4)
N31—Pd3—N32	81.20 (15)	C343—C342—N34	108.1 (4)
N33—Pd3—N32	94.60 (15)	C342—C343—N36	107.6 (4)
N31—Pd3—N34	96.61 (15)	C362—C361—C366	121.0 (4)
N33—Pd3—N34	87.69 (15)	C362—C361—N36	120.5 (4)
N32—Pd3—N34	177.53 (16)	C366—C361—N36	118.5 (4)
C111—N11—C115	119.2 (4)	C361—C362—C363	119.2 (5)
C111—N11—Pd1	126.1 (3)	C364—C363—C362	120.2 (5)
C115—N11—Pd1	114.5 (3)	C363—C364—C365	120.3 (4)
C121—N12—C125	119.8 (4)	C363—C364—N15	120.0 (4)
C121—N12—Pd1	126.4 (3)	C365—C364—N15	119.7 (4)
C125—N12—Pd1	113.3 (3)	C364—C365—C366	119.6 (5)
C131—N13—C132	106.4 (4)	C365—C366—C361	119.7 (5)
C131—N13—Pd1	122.4 (3)	F13—P1—F16	91.0 (5)
C132—N13—Pd1	131.1 (3)	F13—P1—F14	90.8 (5)
C141—N14—C142	106.3 (4)	F16—P1—F14	178.2 (5)
C141—N14—Pd1	131.6 (3)	F13—P1—F15	178.5 (4)
C142—N14—Pd1	122.0 (3)	F16—P1—F15	90.2 (4)
C131—N15—C133	107.5 (4)	F14—P1—F15	88.0 (4)
C131—N15—C364	125.0 (4)	F13—P1—F12	94.5 (3)
C133—N15—C364	127.6 (4)	F16—P1—F12	89.6 (3)
C141—N16—C143	107.5 (4)	F14—P1—F12	90.4 (3)
C141—N16—C161	126.2 (4)	F15—P1—F12	86.3 (3)
C143—N16—C161	126.2 (4)	F13—P1—F11	88.4 (3)
C211—N21—C215	119.6 (4)	F16—P1—F11	91.4 (3)
C211—N21—Pd2	126.2 (3)	F14—P1—F11	88.5 (3)
C215—N21—Pd2	114.2 (3)	F15—P1—F11	90.9 (3)
C221—N22—C225	119.0 (4)	F12—P1—F11	177.0 (2)
C221—N22—Pd2	126.1 (3)	F23—P2—F22	88.5 (3)
C225—N22—Pd2	114.9 (3)	F23—P2—F24	92.3 (3)
C231—N23—C232	107.3 (4)	F22—P2—F24	90.1 (2)
C231—N23—Pd2	124.1 (3)	F23—P2—F21	94.8 (3)
C232—N23—Pd2	128.4 (3)	F22—P2—F21	176.5 (3)
C241—N24—C242	106.9 (4)	F24—P2—F21	90.8 (2)
C241—N24—Pd2	125.8 (3)	F23—P2—F25	177.2 (3)
C242—N24—Pd2	127.3 (3)	F22—P2—F25	89.7 (3)
C231—N25—C233	107.7 (4)	F24—P2—F25	89.9 (3)
C231—N25—C164	124.7 (4)	F21—P2—F25	86.9 (3)
C233—N25—C164	127.4 (4)	F23—P2—F26	89.9 (3)
C241—N26—C243	107.3 (4)	F22—P2—F26	90.2 (2)
C241—N26—C261	126.8 (4)	F24—P2—F26	177.8 (3)
C243—N26—C261	125.7 (4)	F21—P2—F26	88.8 (2)
C311—N31—C315	118.4 (4)	F25—P2—F26	87.9 (2)
C311—N31—Pd3	126.7 (3)	F35—P3—F32	91.2 (3)
C315—N31—Pd3	114.6 (3)	F35—P3—F36	89.9 (4)
C321—N32—C325	119.0 (4)	F32—P3—F36	91.9 (3)
C321—N32—Pd3	126.7 (3)	F35—P3—F34	92.8 (3)
C325—N32—Pd3	114.3 (3)	F32—P3—F34	89.9 (3)
C331—N33—C332	106.8 (4)	F36—P3—F34	176.7 (3)
C331—N33—Pd3	129.5 (3)	F35—P3—F33	175.7 (4)
C332—N33—Pd3	123.7 (3)	F32—P3—F33	92.6 (3)
C341—N34—C342	107.0 (4)	F36—P3—F33	92.0 (3)
C341—N34—Pd3	124.8 (3)	F34—P3—F33	85.2 (3)
C342—N34—Pd3	127.3 (3)	F35—P3—F31	95.4 (4)
C331—N35—C333	107.7 (4)	F32—P3—F31	173.1 (3)
C331—N35—C264	126.9 (4)	F36—P3—F31	86.0 (3)
C333—N35—C264	125.2 (4)	F34—P3—F31	91.9 (3)
C341—N36—C343	107.1 (4)	F33—P3—F31	81.0 (3)
C341—N36—C361	124.7 (4)	F43—P4—F41	100.3 (4)
C343—N36—C361	128.1 (4)	F43—P4—F44	92.2 (3)
N11—C111—C112	122.0 (4)	F41—P4—F44	92.0 (3)
C113—C112—C111	119.2 (5)	F43—P4—F42	89.9 (4)
C112—C113—C114	119.4 (5)	F41—P4—F42	169.4 (3)
C115—C114—C113	119.7 (5)	F44—P4—F42	90.1 (3)
N11—C115—C114	120.5 (4)	F43—P4—F46	91.6 (3)
N11—C115—C125	114.2 (4)	F41—P4—F46	92.4 (3)
C114—C115—C125	125.2 (4)	F44—P4—F46	173.5 (3)
N12—C121—C122	121.8 (4)	F42—P4—F46	84.7 (2)
C123—C122—C121	119.4 (5)	F43—P4—F45	176.2 (3)
C122—C123—C124	119.2 (4)	F41—P4—F45	83.3 (3)
C123—C124—C125	119.5 (4)	F44—P4—F45	88.9 (3)
N12—C125—C124	120.3 (4)	F42—P4—F45	86.4 (3)
N12—C125—C115	116.1 (4)	F46—P4—F45	86.9 (2)
C124—C125—C115	123.5 (4)	F51—P5—F52	177.4 (5)
N13—C131—N15	110.5 (4)	F51—P5—F53	92.3 (4)
C133—C132—N13	108.7 (4)	F52—P5—F53	88.1 (4)
C132—C133—N15	107.0 (4)	F51—P5—F55	91.1 (5)
N14—C141—N16	110.3 (4)	F52—P5—F55	91.5 (4)
C143—C142—N14	109.3 (4)	F53—P5—F55	90.1 (3)
C142—C143—N16	106.5 (4)	F51—P5—F56	89.2 (4)
C162—C161—C166	121.5 (4)	F52—P5—F56	90.3 (3)
C162—C161—N16	118.5 (4)	F53—P5—F56	178.3 (4)
C166—C161—N16	120.0 (4)	F55—P5—F56	89.2 (3)
C161—C162—C163	119.4 (4)	F51—P5—F54	89.5 (5)
C164—C163—C162	119.5 (4)	F52—P5—F54	87.9 (4)
C163—C164—C165	121.0 (4)	F53—P5—F54	91.0 (3)
C163—C164—N25	118.8 (4)	F55—P5—F54	178.7 (4)
C165—C164—N25	120.2 (4)	F56—P5—F54	89.6 (3)
C166—C165—C164	119.3 (5)	F65—P6—F64	94.1 (8)
C161—C166—C165	119.3 (4)	F66A—P6—F63A	91.3 (15)
N21—C211—C212	121.7 (5)	F66A—P6—F62	82.9 (9)
C213—C212—C211	118.9 (4)	F65—P6—F62	85.4 (5)
C212—C213—C214	119.5 (4)	F64—P6—F62	92.5 (4)
C215—C214—C213	119.2 (5)	F63A—P6—F62	81.6 (6)
N21—C215—C214	121.1 (4)	F66A—P6—F65A	97.3 (15)
N21—C215—C225	115.6 (4)	F63A—P6—F65A	169.5 (12)
C214—C215—C225	123.3 (4)	F62—P6—F65A	93.4 (4)
N22—C221—C222	122.3 (5)	F65—P6—F63	177.2 (7)
C221—C222—C223	118.8 (5)	F64—P6—F63	86.4 (7)
C224—C223—C222	119.7 (5)	F62—P6—F63	97.3 (5)
C223—C224—C225	119.4 (5)	F66A—P6—F61	97.6 (8)
N22—C225—C224	120.8 (4)	F65—P6—F61	93.7 (5)
N22—C225—C215	114.3 (4)	F64—P6—F61	87.8 (4)
C224—C225—C215	124.9 (4)	F63A—P6—F61	99.1 (6)
N23—C231—N25	109.6 (4)	F62—P6—F61	179.1 (3)
C233—C232—N23	108.9 (4)	F65A—P6—F61	85.8 (4)
C232—C233—N25	106.4 (4)	F63—P6—F61	83.6 (5)
N24—C241—N26	110.5 (4)	F65—P6—F66	91.5 (8)
C243—C242—N24	108.8 (5)	F64—P6—F66	174.2 (7)
C242—C243—N26	106.5 (5)	F62—P6—F66	89.3 (4)
C266—C261—C262	121.4 (4)	F63—P6—F66	87.9 (7)
C266—C261—N26	119.1 (4)	F61—P6—F66	90.5 (4)
C262—C261—N26	119.5 (4)	F66A—P6—F64A	176.4 (12)
C261—C262—C263	119.1 (5)	F63A—P6—F64A	85.6 (10)
C264—C263—C262	119.4 (4)	F62—P6—F64A	95.1 (5)
C265—C264—C263	121.4 (4)	F65A—P6—F64A	85.6 (12)
C265—C264—N35	119.4 (4)	F61—P6—F64A	84.5 (5)
C263—C264—N35	119.2 (4)	N100—C101—C100	179.3 (8)
C264—C265—C266	119.2 (5)	N200—C201—C200	178.9 (8)
C261—C266—C265	119.4 (4)	N300—C301—C300	177.7 (10)
N31—C311—C312	122.2 (4)	N400—C401—C400	179.4 (7)
C311—C312—C313	119.2 (5)	N500—C501—C500	178.7 (11)
C314—C313—C312	119.2 (5)	N600—C601—C600	178.7 (8)
C313—C314—C315	119.8 (5)	N800—C801—C800	179.2 (12)
N31—C315—C314	121.2 (4)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
C114—H114···F26^i	0.95	2.40	3.344 (6)	175
C124—H124···F26^i	0.95	2.54	3.482 (6)	174
C131—H131···F65^ii	0.95	2.30	3.145 (9)	147
C131—H131···F64A^ii	0.95	2.60	3.55 (2)	174
C133—H133···F34^iii	0.95	2.58	3.375 (6)	142
C141—H141···F62^ii	0.95	2.42	3.271 (6)	150
C141—H141···F65^ii	0.95	2.50	3.375 (12)	153
C141—H141···F65A^ii	0.95	2.35	3.223 (11)	153
C142—H142···F15	0.95	2.30	3.129 (6)	145
C163—H163···F24	0.95	2.52	3.334 (6)	144
C214—H214···F31^iv	0.95	2.27	3.183 (7)	162
C231—H231···F31	0.95	2.46	3.283 (7)	145
C231—H231···F35	0.95	2.62	3.505 (8)	155
C232—H232···F46^v	0.95	2.53	3.478 (6)	175
C241—H241···F31	0.95	2.46	3.289 (7)	145
C241—H241···F36	0.95	2.55	3.472 (7)	164
C263—H263···F41^ii	0.95	2.62	3.535 (7)	163
C265—H265···N100	0.95	2.65	3.350 (7)	131
C311—H311···F55^ii	0.95	2.44	3.285 (6)	149
C312—H312···F56^ii	0.95	2.51	3.277 (7)	138
C321—H321···N300^ii	0.95	2.54	3.363 (8)	145
C324—H324···F46^vi	0.95	2.43	3.371 (7)	170
C331—H331···N600^iii	0.95	2.38	3.330 (7)	173
C332—H332···F64A	0.95	2.44	3.370 (16)	165
C333—H333···F44^ii	0.95	2.27	3.067 (6)	141
C341—H341···F26^iii	0.95	2.36	3.102 (6)	135
C342—H342···N100^ii	0.95	2.62	3.491 (8)	152
C365—H365···F65^ii	0.95	2.60	3.473 (11)	154
C100—H10C···F35	0.98	2.48	3.385 (9)	154
C100—H10C···F36	0.98	2.55	3.447 (9)	153
C200—H20C···F66^ii	0.98	2.57	3.501 (12)	160
C300—H30B···F62^vii	0.98	2.57	3.493 (12)	157
C300—H30C···F45	0.98	2.49	3.249 (13)	135
C800—H80A···F41^vi	0.98	2.61	3.487 (9)	149
C800—H80B···F56^viii	0.98	2.47	3.396 (9)	158
C111—H111···F12^i	0.95	2.48	3.264 (7)	140
C114—H114···F26^i	0.95	2.40	3.344 (6)	175
C124—H124···F25^i	0.95	2.43	3.154 (6)	133
C124—H124···F26^i	0.95	2.54	3.482 (6)	174
C131—H131···F65^ii	0.95	2.30	3.145 (9)	147
C131—H131···F64A^ii	0.95	2.60	3.55 (2)	174
C132—H132···F11	0.95	2.58	3.279 (6)	130
C133—H133···F34^iii	0.95	2.58	3.375 (6)	142
C141—H141···F62^ii	0.95	2.42	3.271 (6)	150
C141—H141···F65^ii	0.95	2.50	3.375 (12)	153
C141—H141···F65A^ii	0.95	2.35	3.223 (11)	153
C142—H142···F15	0.95	2.30	3.129 (6)	145
C163—H163···F24	0.95	2.52	3.334 (6)	144
C214—H214···F31^iv	0.95	2.27	3.183 (7)	162
C221—H221···N400^i	0.95	2.55	3.278 (7)	134
C231—H231···F31	0.95	2.46	3.283 (7)	145
C231—H231···F35	0.95	2.62	3.505 (8)	155
C232—H232···F46^v	0.95	2.53	3.478 (6)	175
C241—H241···F31	0.95	2.46	3.289 (7)	145
C241—H241···F36	0.95	2.55	3.472 (7)	164
C263—H263···F41^ii	0.95	2.62	3.535 (7)	163
C265—H265···N100	0.95	2.65	3.350 (7)	131
C311—H311···F55^ii	0.95	2.44	3.285 (6)	149
C312—H312···F56^ii	0.95	2.51	3.277 (7)	138
C321—H321···N300^ii	0.95	2.54	3.363 (8)	145
C324—H324···F46^vi	0.95	2.43	3.371 (7)	170
C331—H331···N600^iii	0.95	2.38	3.330 (7)	173
C332—H332···F64A	0.95	2.44	3.370 (16)	165
C333—H333···F44^ii	0.95	2.27	3.067 (6)	141
C341—H341···F26^iii	0.95	2.36	3.102 (6)	135
C342—H342···N100^ii	0.95	2.62	3.491 (8)	152
C365—H365···F65^ii	0.95	2.60	3.473 (11)	154
C100—H10C···F35	0.98	2.48	3.385 (9)	154
C100—H10C···F36	0.98	2.55	3.447 (9)	153
C200—H20A···F51	0.98	2.59	3.219 (12)	122
C200—H20C···F66^ii	0.98	2.57	3.501 (12)	160
C300—H30B···F62^vii	0.98	2.57	3.493 (12)	157
C300—H30C···F45	0.98	2.49	3.249 (13)	135
C500—H50C···F13	0.98	2.49	3.201 (11)	129
C800—H80A···F41^vi	0.98	2.61	3.487 (9)	149
C800—H80B···F56^viii	0.98	2.47	3.396 (9)	158

Symmetry codes: (i) −x+1, −y+1, −z; (ii) −x, −y+1, −z+1; (iii) −x+1, −y+1, −z+1; (iv) −x+1, −y, −z+1; (v) x, y−1, z; (vi) x, y, z+1; (vii) x, y, z−1; (viii) x, y+1, z+1.