μ-3,3′-Bisacetyl­acetonato-bis­[(1,10-phenanthroline)palladium(II)] bis(hexa­fluoro­phosphate) acetonitrile solvate

In the title complex, [Pd₂(C₁₀H₁₂O₄)(C₁₂H₈N₂)₂](PF₆)₂·CH₃CN, the Pd^II centre has a distorted cis square-planar geometry defined by an O,O′-bidentate bis­acetyl­acetonate dianion ligand and a chelating 1,10-phenanthroline ligand. The crystal structure features electrostatic inter­actions between the cations and anions, inter­molecular π–π inter­actions between pairs of 1,10-phenanthroline rings, and weak hydrogen bonds involving hexa­fluoro­phosphate anions (C—H...F) and the acetonitrile solvent mol­ecules (C—H...N).

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean [sigma](C-C) = 0.013 Å
• R factor = 0.050
• wR factor = 0.153
• Data-to-parameter ratio = 15.7

checkCIF/PLATON results

No syntax errors found



Alert level C
STRVA01_ALERT_4_C           Flack test results are ambiguous.
           From the CIF: _refine_ls_abs_structure_Flack    0.470
           From the CIF: _refine_ls_abs_structure_Flack_su    0.040
PLAT033_ALERT_2_C Flack Parameter Value Deviates from Zero .......       0.47
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for         P1
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for         P2
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for         P3
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         13

Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
            correct. If it is not, please give the correct count in the
            _publ_section_exptl_refinement section of the submitted CIF.
           From the CIF: _diffrn_reflns_theta_max           27.00
           From the CIF: _reflns_number_total               8766
           Count of symmetry unique reflns         4664
           Completeness (_total/calc)            187.95%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      4102
           Fraction of Friedel pairs measured     0.880
           Are heavy atom types Z>Si present        yes

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   7 ALERT level C = Check and explain
   1 ALERT level G = General alerts; check

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

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Computing details

Data collection: SMART (Bruker, 2001); cell refinement: SAINT-Plus (Bruker, 2001); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON (Spek, 2003); software used to prepare material for publication: PLATON.

µ-3,3'-Bisacetylacetonato-bis[(1,10-phenanthroline)palladium(II)] hexafluorophosphate acetonitrile solvate

Crystal data

[Pd2(C10H12O4)(C12H8N2)2](PF6)2·C2H3N	F(000) = 8704
Mr = 1100.40	Dx = 1.777 Mg m^−3
Orthorhombic, Fdd2	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: F 2 -2d	Cell parameters from 3854 reflections
a = 22.321 (5) Å	θ = 1.7–27.5°
b = 47.887 (10) Å	µ = 1.05 mm^−1
c = 15.392 (3) Å	T = 298 K
V = 16453 (6) Å^3	Block, yellow
Z = 16	0.45 × 0.25 × 0.20 mm

Data collection

Bruker SMART APEX CCD area-detector diffractometer	8766 independent reflections
Radiation source: sealed tube	7916 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.033
φ and ω scans	θmax = 27.0°, θmin = 1.7°
Absorption correction: multi-scan (SADABS; Bruker, 2001)	h = −28→28
Tmin = 0.740, Tmax = 0.810	k = −61→61
36699 measured reflections	l = −19→19

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.050	H-atom parameters constrained
wR(F^2) = 0.153	w = 1/[σ^2(Fo^2) + (0.1556P)^2 + 1.928P] where P = (Fo^2 + 2Fc^2)/3
S = 1.02	(Δ/σ)max = 0.001
8766 reflections	Δρmax = 0.75 e Å^−3
557 parameters	Δρmin = −1.32 e Å^−3
0 restraints	Absolute structure: Flack (1983), with 4110 Friedel pairs
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.47 (4)

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.

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	−0.04219 (2)	0.183220 (9)	0.59957 (3)	0.05104 (13)
Pd2	0.01663 (2)	0.334440 (10)	0.39912 (3)	0.05373 (14)
C1	0.0063 (4)	0.13020 (17)	0.5203 (6)	0.0714 (19)
H1A	0.0285	0.1413	0.4827	0.086*
C2	0.0096 (6)	0.10143 (18)	0.5137 (6)	0.085 (3)
H2A	0.0345	0.0933	0.4723	0.102*
C3	−0.0229 (5)	0.08513 (18)	0.5666 (7)	0.088 (3)
H3A	−0.0208	0.0658	0.5606	0.105*
C4	−0.0602 (4)	0.09669 (14)	0.6312 (5)	0.068 (2)
C5	−0.0972 (6)	0.0820 (2)	0.6929 (8)	0.091 (3)
H5A	−0.0974	0.0626	0.6921	0.109*
C6	−0.1312 (4)	0.0953 (2)	0.7513 (8)	0.089 (3)
H6A	−0.1544	0.0850	0.7898	0.107*
C7	−0.1324 (3)	0.12529 (18)	0.7553 (5)	0.0662 (19)
C8	−0.1658 (3)	0.1403 (2)	0.8149 (6)	0.078 (2)
H8A	−0.1894	0.1312	0.8559	0.093*
C9	−0.1634 (3)	0.1690 (2)	0.8120 (6)	0.079 (2)
H9A	−0.1860	0.1793	0.8513	0.095*
C10	−0.1281 (3)	0.18285 (18)	0.7517 (5)	0.0667 (17)
H10A	−0.1270	0.2023	0.7515	0.080*
C11	−0.0969 (3)	0.14031 (14)	0.6961 (4)	0.0549 (15)
C12	−0.0616 (3)	0.12629 (14)	0.6348 (4)	0.0579 (16)
C13	0.0861 (4)	0.37527 (19)	0.5085 (6)	0.076 (2)
H13A	0.1027	0.3600	0.5371	0.091*
C14	0.1030 (5)	0.4028 (2)	0.5350 (8)	0.090 (3)
H14A	0.1302	0.4052	0.5802	0.108*
C15	0.0800 (6)	0.4247 (2)	0.4951 (8)	0.094 (3)
H15A	0.0912	0.4425	0.5123	0.113*
C16	0.0393 (4)	0.42129 (16)	0.4279 (6)	0.076 (2)
C17	0.0106 (5)	0.44290 (19)	0.3800 (8)	0.088 (3)
H17A	0.0194	0.4614	0.3933	0.106*
C18	−0.0290 (5)	0.43754 (19)	0.3158 (9)	0.091 (3)
H18A	−0.0470	0.4524	0.2868	0.109*
C19	−0.0441 (4)	0.4092 (2)	0.2913 (6)	0.074 (2)
C20	−0.0829 (4)	0.4020 (2)	0.2246 (7)	0.091 (3)
H20A	−0.1016	0.4158	0.1918	0.109*
C21	−0.0933 (4)	0.3743 (2)	0.2076 (6)	0.079 (2)
H21A	−0.1192	0.3694	0.1629	0.095*
C22	−0.0658 (4)	0.3538 (2)	0.2558 (5)	0.074 (2)
H22A	−0.0741	0.3352	0.2439	0.089*
C23	−0.0160 (3)	0.38793 (15)	0.3370 (5)	0.0625 (17)
C24	0.0240 (3)	0.39356 (14)	0.4052 (5)	0.0608 (16)
C25	0.0696 (4)	0.21944 (19)	0.4082 (7)	0.083 (2)
H25A	0.0880	0.2014	0.4024	0.124*
H25B	0.0994	0.2330	0.4240	0.124*
H25C	0.0516	0.2247	0.3540	0.124*
C26	0.0222 (3)	0.21824 (15)	0.4777 (5)	0.0593 (15)
C27	−0.0071 (3)	0.24248 (13)	0.5079 (5)	0.0587 (15)
C28	−0.0484 (3)	0.24275 (15)	0.5756 (5)	0.0643 (18)
C29	−0.0790 (5)	0.26948 (17)	0.6035 (8)	0.088 (3)
H29A	−0.1102	0.2652	0.6443	0.132*
H29B	−0.0960	0.2785	0.5536	0.132*
H29C	−0.0502	0.2816	0.6303	0.132*
C30	0.0908 (5)	0.27633 (19)	0.5752 (7)	0.085 (3)
H30A	0.1185	0.2906	0.5923	0.128*
H30B	0.1125	0.2603	0.5548	0.128*
H30C	0.0665	0.2711	0.6241	0.128*
C31	0.0512 (3)	0.28719 (15)	0.5034 (5)	0.0585 (14)
C32	0.0065 (3)	0.26999 (13)	0.4655 (5)	0.0573 (14)
C33	−0.0232 (3)	0.27698 (15)	0.3873 (5)	0.0627 (16)
C34	−0.0621 (5)	0.2566 (2)	0.3413 (8)	0.089 (3)
H34A	−0.0758	0.2646	0.2877	0.133*
H34B	−0.0958	0.2520	0.3772	0.133*
H34C	−0.0396	0.2399	0.3292	0.133*
O1	0.0124 (2)	0.19352 (10)	0.5049 (4)	0.0624 (11)
O2	−0.0645 (3)	0.22216 (10)	0.6240 (3)	0.0654 (12)
O3	0.0633 (3)	0.31236 (11)	0.4822 (4)	0.0644 (11)
O4	−0.0211 (2)	0.30077 (11)	0.3491 (3)	0.0664 (11)
N1	−0.0288 (3)	0.14215 (12)	0.5808 (4)	0.0569 (12)
N2	−0.0958 (2)	0.16871 (12)	0.6946 (4)	0.0574 (12)
N3	0.0485 (3)	0.37098 (13)	0.4462 (4)	0.0613 (14)
N4	−0.0273 (3)	0.36009 (14)	0.3195 (4)	0.0601 (14)
P1	0.2500	0.2500	0.3534 (2)	0.0749 (7)
P2	0.2500	0.2500	0.8827 (3)	0.0842 (9)
P3	0.03805 (13)	0.34603 (7)	0.75055 (17)	0.0892 (7)
F1	0.2023 (4)	0.2569 (2)	0.4251 (8)	0.138 (3)
F2	0.2965 (5)	0.2436 (2)	0.2808 (8)	0.156 (4)
F3	0.2706 (4)	0.28087 (15)	0.3557 (9)	0.145 (4)
F4	0.2059 (3)	0.27549 (13)	0.8839 (7)	0.121 (3)
F5	0.2896 (4)	0.26500 (17)	0.8123 (8)	0.138 (3)
F6	0.2103 (4)	0.2353 (2)	0.9514 (8)	0.147 (4)
F7	−0.0004 (6)	0.3192 (2)	0.7490 (13)	0.189 (6)
F8	0.0931 (4)	0.3332 (2)	0.7005 (10)	0.170 (4)
F9	0.0119 (6)	0.3576 (4)	0.6691 (11)	0.206 (7)
F10	0.0667 (7)	0.3354 (3)	0.8352 (8)	0.210 (6)
F11	0.0825 (6)	0.3716 (2)	0.7565 (12)	0.192 (6)
F12	−0.0120 (7)	0.3617 (3)	0.7983 (13)	0.224 (8)
N5	0.1322 (5)	0.1989 (3)	0.6469 (8)	0.119 (3)
C35	0.1750 (7)	0.1981 (4)	0.6104 (12)	0.137 (7)
C36	0.2353 (8)	0.1949 (4)	0.5676 (16)	0.163 (8)
H36A	0.2466	0.2123	0.5410	0.245*
H36B	0.2331	0.1806	0.5240	0.245*
H36C	0.2646	0.1898	0.6105	0.245*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Pd1	0.0534 (2)	0.0361 (2)	0.0636 (2)	−0.00071 (17)	−0.00393 (19)	0.00563 (18)
Pd2	0.0581 (2)	0.0448 (2)	0.0583 (2)	−0.00192 (19)	0.01555 (18)	0.00727 (19)
C1	0.091 (5)	0.046 (4)	0.077 (5)	0.011 (4)	−0.014 (4)	−0.002 (3)
C2	0.129 (8)	0.047 (4)	0.080 (5)	0.012 (4)	−0.023 (5)	−0.009 (4)
C3	0.127 (8)	0.042 (4)	0.094 (6)	0.005 (4)	−0.042 (6)	−0.007 (4)
C4	0.078 (4)	0.041 (3)	0.085 (5)	−0.010 (3)	−0.044 (4)	0.011 (3)
C5	0.110 (7)	0.053 (4)	0.109 (7)	−0.025 (5)	−0.060 (7)	0.030 (5)
C6	0.074 (5)	0.082 (6)	0.112 (7)	−0.032 (5)	−0.050 (5)	0.051 (6)
C7	0.049 (3)	0.072 (4)	0.078 (4)	−0.012 (3)	−0.024 (3)	0.029 (4)
C8	0.051 (3)	0.099 (6)	0.083 (5)	−0.017 (4)	−0.021 (3)	0.041 (5)
C9	0.056 (4)	0.100 (7)	0.081 (5)	0.001 (4)	−0.004 (3)	0.023 (5)
C10	0.052 (3)	0.077 (5)	0.071 (4)	0.007 (3)	−0.010 (3)	0.011 (3)
C11	0.046 (3)	0.055 (3)	0.064 (3)	−0.009 (2)	−0.027 (2)	0.021 (3)
C12	0.063 (3)	0.044 (3)	0.067 (4)	−0.009 (3)	−0.037 (3)	0.012 (3)
C13	0.094 (6)	0.058 (4)	0.075 (4)	−0.009 (4)	0.011 (4)	−0.003 (4)
C14	0.103 (7)	0.061 (5)	0.105 (7)	−0.014 (5)	0.005 (5)	−0.005 (5)
C15	0.107 (8)	0.068 (5)	0.107 (7)	−0.025 (5)	0.035 (6)	−0.026 (5)
C16	0.087 (5)	0.050 (4)	0.092 (6)	0.002 (4)	0.048 (4)	0.003 (4)
C17	0.107 (7)	0.049 (4)	0.109 (7)	0.002 (4)	0.043 (6)	0.006 (4)
C18	0.093 (6)	0.055 (5)	0.124 (8)	0.023 (4)	0.053 (6)	0.033 (5)
C19	0.066 (4)	0.078 (5)	0.079 (5)	0.008 (4)	0.027 (4)	0.027 (4)
C20	0.080 (5)	0.097 (7)	0.095 (6)	0.018 (5)	0.039 (5)	0.036 (5)
C21	0.067 (4)	0.106 (7)	0.066 (4)	0.004 (4)	0.010 (3)	0.016 (4)
C22	0.065 (4)	0.088 (6)	0.070 (4)	−0.008 (4)	0.028 (3)	0.010 (4)
C23	0.063 (3)	0.055 (4)	0.069 (4)	0.006 (3)	0.033 (3)	0.017 (3)
C24	0.067 (3)	0.052 (3)	0.064 (3)	0.001 (3)	0.028 (3)	0.011 (3)
C25	0.080 (5)	0.066 (5)	0.102 (6)	−0.004 (4)	0.037 (5)	−0.004 (4)
C26	0.056 (3)	0.048 (3)	0.074 (4)	0.000 (3)	0.009 (3)	−0.003 (3)
C27	0.061 (3)	0.037 (3)	0.078 (4)	0.001 (3)	0.008 (3)	0.005 (3)
C28	0.070 (4)	0.041 (3)	0.082 (5)	0.004 (3)	0.011 (3)	0.007 (3)
C29	0.104 (6)	0.046 (4)	0.113 (7)	0.014 (4)	0.044 (6)	0.011 (4)
C30	0.096 (6)	0.061 (5)	0.099 (6)	0.000 (4)	−0.027 (5)	0.013 (4)
C31	0.062 (3)	0.046 (3)	0.067 (4)	0.000 (3)	0.006 (3)	0.005 (3)
C32	0.062 (3)	0.037 (3)	0.073 (4)	−0.001 (3)	0.007 (3)	0.005 (3)
C33	0.059 (3)	0.054 (4)	0.075 (4)	−0.008 (3)	0.004 (3)	0.004 (3)
C34	0.092 (5)	0.063 (5)	0.111 (7)	−0.014 (4)	−0.036 (5)	0.007 (5)
O1	0.067 (3)	0.041 (2)	0.080 (3)	0.002 (2)	0.011 (2)	0.001 (2)
O2	0.079 (3)	0.039 (2)	0.079 (3)	0.007 (2)	0.019 (2)	0.007 (2)
O3	0.069 (3)	0.051 (3)	0.073 (3)	−0.008 (2)	−0.007 (2)	0.003 (2)
O4	0.079 (3)	0.057 (3)	0.063 (3)	−0.007 (2)	−0.006 (2)	0.008 (2)
N1	0.066 (3)	0.038 (3)	0.067 (3)	0.001 (2)	−0.018 (2)	0.007 (2)
N2	0.051 (2)	0.049 (3)	0.072 (3)	0.001 (2)	−0.013 (2)	0.010 (2)
N3	0.061 (3)	0.051 (3)	0.072 (3)	−0.002 (2)	0.025 (3)	0.002 (3)
N4	0.054 (3)	0.064 (4)	0.063 (3)	0.001 (2)	0.020 (2)	0.016 (3)
P1	0.0837 (16)	0.0578 (15)	0.0831 (17)	−0.0046 (13)	0.000	0.000
P2	0.0897 (19)	0.0499 (15)	0.113 (3)	−0.0046 (14)	0.000	0.000
P3	0.0940 (16)	0.101 (2)	0.0726 (12)	−0.0042 (14)	−0.0050 (11)	0.0029 (12)
F1	0.124 (6)	0.121 (7)	0.169 (8)	−0.006 (5)	0.037 (5)	−0.025 (6)
F2	0.168 (9)	0.140 (8)	0.160 (9)	0.043 (7)	0.036 (6)	−0.015 (7)
F3	0.156 (7)	0.067 (4)	0.213 (10)	−0.005 (4)	0.036 (8)	0.002 (5)
F4	0.115 (5)	0.063 (3)	0.185 (8)	0.016 (3)	−0.002 (5)	−0.001 (4)
F5	0.126 (6)	0.090 (5)	0.199 (10)	0.004 (4)	0.033 (6)	0.034 (5)
F6	0.127 (6)	0.110 (6)	0.203 (10)	0.018 (5)	0.029 (6)	0.062 (7)
F7	0.165 (9)	0.119 (8)	0.283 (16)	−0.043 (7)	−0.013 (11)	−0.005 (9)
F8	0.122 (6)	0.144 (8)	0.242 (13)	0.031 (6)	0.010 (8)	−0.043 (9)
F9	0.161 (9)	0.260 (16)	0.198 (12)	0.073 (10)	−0.034 (8)	0.075 (12)
F10	0.195 (11)	0.288 (17)	0.145 (9)	−0.018 (11)	−0.074 (9)	0.044 (10)
F11	0.169 (10)	0.111 (7)	0.296 (17)	−0.006 (7)	−0.010 (11)	0.002 (8)
F12	0.215 (13)	0.179 (12)	0.28 (2)	0.003 (11)	0.091 (14)	−0.074 (14)
N5	0.116 (8)	0.124 (9)	0.118 (8)	−0.005 (7)	0.007 (7)	0.024 (7)
C35	0.107 (9)	0.154 (14)	0.150 (12)	−0.035 (9)	−0.031 (9)	0.085 (12)
C36	0.136 (13)	0.152 (15)	0.20 (2)	−0.013 (11)	−0.060 (13)	0.060 (15)

Geometric parameters (Å, º)

Pd1—N1	2.010 (6)	C22—H22A	0.9300
Pd1—N2	2.013 (6)	C23—N4	1.383 (10)
Pd2—N3	2.023 (6)	C23—C24	1.404 (12)
Pd2—N4	1.993 (6)	C24—N3	1.366 (10)
Pd1—O1	1.962 (5)	C25—C26	1.506 (10)
Pd1—O2	1.966 (5)	C25—H25A	0.9600
Pd2—O3	1.959 (5)	C25—H25B	0.9600
Pd2—O4	1.975 (5)	C25—H25C	0.9600
C1—N1	1.345 (11)	C26—O1	1.275 (9)
C1—C2	1.383 (11)	C26—C27	1.411 (9)
C1—H1A	0.9300	C27—C28	1.391 (10)
C2—C3	1.341 (17)	C27—C32	1.501 (9)
C2—H2A	0.9300	C28—O2	1.287 (9)
C3—C4	1.409 (16)	C28—C29	1.513 (10)
C3—H3A	0.9300	C29—H29A	0.9600
C4—C12	1.419 (10)	C29—H29B	0.9600
C4—C5	1.442 (15)	C29—H29C	0.9600
C5—C6	1.336 (18)	C30—C31	1.506 (11)
C5—H5A	0.9300	C30—H30A	0.9600
C6—C7	1.438 (14)	C30—H30B	0.9600
C6—H6A	0.9300	C30—H30C	0.9600
C7—C8	1.383 (14)	C31—O3	1.278 (9)
C7—C11	1.406 (10)	C31—C32	1.420 (10)
C8—C9	1.374 (14)	C32—C33	1.413 (11)
C8—H8A	0.9300	C33—O4	1.283 (9)
C9—C10	1.387 (12)	C33—C34	1.486 (11)
C9—H9A	0.9300	C34—H34A	0.9600
C10—N2	1.324 (11)	C34—H34B	0.9600
C10—H10A	0.9300	C34—H34C	0.9600
C11—N2	1.360 (9)	P1—F3^i	1.549 (8)
C11—C12	1.401 (11)	P1—F3	1.549 (8)
C12—N1	1.342 (9)	P1—F2^i	1.556 (10)
C13—N3	1.291 (12)	P1—F2	1.556 (10)
C13—C14	1.430 (13)	P1—F1	1.569 (9)
C13—H13A	0.9300	P1—F1^i	1.569 (9)
C14—C15	1.319 (18)	P2—F6	1.548 (10)
C14—H14A	0.9300	P2—F6^i	1.548 (10)
C15—C16	1.387 (17)	P2—F4^i	1.568 (6)
C15—H15A	0.9300	P2—F4	1.568 (6)
C16—C24	1.415 (11)	P2—F5^i	1.572 (9)
C16—C17	1.423 (15)	P2—F5	1.572 (9)
C17—C18	1.349 (17)	P3—F9	1.490 (13)
C17—H17A	0.9300	P3—F12	1.533 (13)
C18—C19	1.449 (15)	P3—F10	1.539 (11)
C18—H18A	0.9300	P3—F7	1.545 (11)
C19—C20	1.387 (16)	P3—F8	1.575 (11)
C19—C23	1.387 (11)	P3—F11	1.577 (12)
C20—C21	1.370 (16)	N5—C35	1.11 (2)
C20—H20A	0.9300	C35—C36	1.51 (3)
C21—C22	1.376 (14)	C36—H36A	0.9600
C21—H21A	0.9300	C36—H36B	0.9600
C22—N4	1.338 (12)	C36—H36C	0.9600
N1—Pd1—N2	81.7 (3)	O2—C28—C29	111.0 (7)
N1—Pd1—O1	92.7 (2)	C27—C28—C29	121.3 (7)
N1—Pd1—O2	173.2 (2)	C28—C29—H29A	109.5
N2—Pd1—O1	174.3 (2)	C28—C29—H29B	109.5
N2—Pd1—O2	92.2 (2)	H29A—C29—H29B	109.5
N3—Pd2—O3	92.7 (2)	C28—C29—H29C	109.5
N3—Pd2—O4	174.6 (3)	H29A—C29—H29C	109.5
N3—Pd2—N4	81.9 (3)	H29B—C29—H29C	109.5
N4—Pd2—O3	174.6 (3)	C31—C30—H30A	109.5
N4—Pd2—O4	93.1 (3)	C31—C30—H30B	109.5
O1—Pd1—O2	93.5 (2)	H30A—C30—H30B	109.5
O3—Pd2—O4	92.3 (2)	C31—C30—H30C	109.5
N1—C1—C2	120.3 (9)	H30A—C30—H30C	109.5
N1—C1—H1A	119.8	H30B—C30—H30C	109.5
C2—C1—H1A	119.8	O3—C31—C32	126.2 (7)
C3—C2—C1	120.4 (10)	O3—C31—C30	112.9 (7)
C3—C2—H2A	119.8	C32—C31—C30	120.9 (7)
C1—C2—H2A	119.8	C33—C32—C31	122.8 (6)
C2—C3—C4	121.3 (8)	C33—C32—C27	118.9 (6)
C2—C3—H3A	119.4	C31—C32—C27	118.1 (7)
C4—C3—H3A	119.4	O4—C33—C32	125.7 (7)
C3—C4—C12	115.7 (8)	O4—C33—C34	112.8 (7)
C3—C4—C5	127.8 (8)	C32—C33—C34	121.5 (7)
C12—C4—C5	116.6 (9)	C33—C34—H34A	109.5
C6—C5—C4	122.5 (9)	C33—C34—H34B	109.5
C6—C5—H5A	118.7	H34A—C34—H34B	109.5
C4—C5—H5A	118.7	C33—C34—H34C	109.5
C5—C6—C7	121.0 (9)	H34A—C34—H34C	109.5
C5—C6—H6A	119.5	H34B—C34—H34C	109.5
C7—C6—H6A	119.5	C26—O1—Pd1	125.7 (4)
C8—C7—C11	117.9 (8)	C28—O2—Pd1	123.0 (5)
C8—C7—C6	124.0 (8)	C31—O3—Pd2	124.4 (5)
C11—C7—C6	118.1 (9)	C33—O4—Pd2	124.2 (5)
C9—C8—C7	118.5 (7)	C12—N1—C1	120.4 (7)
C9—C8—H8A	120.8	C12—N1—Pd1	112.6 (5)
C7—C8—H8A	120.8	C1—N1—Pd1	127.0 (5)
C8—C9—C10	121.5 (9)	C10—N2—C11	119.3 (7)
C8—C9—H9A	119.3	C10—N2—Pd1	129.0 (5)
C10—C9—H9A	119.3	C11—N2—Pd1	111.6 (5)
N2—C10—C9	120.6 (8)	C13—N3—C24	118.5 (7)
N2—C10—H10A	119.7	C13—N3—Pd2	129.2 (6)
C9—C10—H10A	119.7	C24—N3—Pd2	112.3 (5)
N2—C11—C12	117.2 (6)	C22—N4—C23	118.4 (7)
N2—C11—C7	122.2 (7)	C22—N4—Pd2	128.9 (6)
C12—C11—C7	120.6 (7)	C23—N4—Pd2	112.6 (5)
N1—C12—C11	116.9 (6)	F3^i—P1—F3	177.4 (10)
N1—C12—C4	121.9 (8)	F3^i—P1—F2^i	90.3 (6)
C11—C12—C4	121.2 (7)	F3—P1—F2^i	91.6 (7)
N3—C13—C14	122.1 (10)	F3^i—P1—F2	91.6 (7)
N3—C13—H13A	119.0	F3—P1—F2	90.3 (6)
C14—C13—H13A	119.0	F2^i—P1—F2	88.2 (9)
C15—C14—C13	119.7 (11)	F3^i—P1—F1	89.0 (6)
C15—C14—H14A	120.2	F3—P1—F1	89.1 (5)
C13—C14—H14A	120.2	F2^i—P1—F1	90.6 (6)
C14—C15—C16	120.7 (9)	F2—P1—F1	178.6 (7)
C14—C15—H15A	119.6	F3^i—P1—F1^i	89.1 (5)
C16—C15—H15A	119.6	F3—P1—F1^i	89.0 (6)
C15—C16—C24	116.8 (9)	F2^i—P1—F1^i	178.6 (7)
C15—C16—C17	126.7 (10)	F2—P1—F1^i	90.6 (6)
C24—C16—C17	116.5 (10)	F1—P1—F1^i	90.6 (9)
C18—C17—C16	122.4 (9)	F6—P2—F6^i	93.9 (10)
C18—C17—H17A	118.8	F6—P2—F4^i	89.9 (5)
C16—C17—H17A	118.8	F6^i—P2—F4^i	89.2 (5)
C17—C18—C19	121.4 (9)	F6—P2—F4	89.2 (5)
C17—C18—H18A	119.3	F6^i—P2—F4	89.9 (5)
C19—C18—H18A	119.3	F4^i—P2—F4	178.7 (8)
C20—C19—C23	118.4 (10)	F6—P2—F5^i	86.7 (6)
C20—C19—C18	124.9 (9)	F6^i—P2—F5^i	179.2 (6)
C23—C19—C18	116.7 (10)	F4^i—P2—F5^i	90.3 (5)
C21—C20—C19	119.2 (9)	F4—P2—F5^i	90.6 (5)
C21—C20—H20A	120.4	F6—P2—F5	179.2 (6)
C19—C20—H20A	120.4	F6^i—P2—F5	86.7 (6)
C20—C21—C22	120.7 (10)	F4^i—P2—F5	90.6 (5)
C20—C21—H21A	119.6	F4—P2—F5	90.3 (5)
C22—C21—H21A	119.6	F5^i—P2—F5	92.8 (9)
N4—C22—C21	121.5 (9)	F9—P3—F12	86.3 (10)
N4—C22—H22A	119.3	F9—P3—F10	177.3 (10)
C21—C22—H22A	119.3	F12—P3—F10	93.4 (10)
N4—C23—C19	121.7 (8)	F9—P3—F7	94.5 (10)
N4—C23—C24	116.5 (6)	F12—P3—F7	90.6 (9)
C19—C23—C24	121.7 (8)	F10—P3—F7	88.1 (10)
N3—C24—C23	116.6 (7)	F9—P3—F8	92.2 (8)
N3—C24—C16	122.2 (9)	F12—P3—F8	173.4 (8)
C23—C24—C16	121.2 (8)	F10—P3—F8	87.8 (8)
C26—C25—H25A	109.5	F7—P3—F8	95.9 (8)
C26—C25—H25B	109.5	F9—P3—F11	90.4 (9)
H25A—C25—H25B	109.5	F12—P3—F11	92.8 (8)
C26—C25—H25C	109.5	F10—P3—F11	87.0 (8)
H25A—C25—H25C	109.5	F7—P3—F11	174.2 (8)
H25B—C25—H25C	109.5	F8—P3—F11	80.8 (7)
O1—C26—C27	125.2 (6)	N5—C35—C36	174.1 (16)
O1—C26—C25	112.9 (6)	C35—C36—H36A	109.5
C27—C26—C25	121.9 (7)	C35—C36—H36B	109.5
C28—C27—C26	124.2 (6)	H36A—C36—H36B	109.5
C28—C27—C32	116.8 (6)	C35—C36—H36C	109.5
C26—C27—C32	119.0 (6)	H36A—C36—H36C	109.5
O2—C28—C27	127.7 (7)	H36B—C36—H36C	109.5
N1—C1—C2—C3	1.0 (14)	C26—C27—C32—C33	82.2 (9)
C1—C2—C3—C4	−1.2 (14)	C28—C27—C32—C31	85.6 (9)
C2—C3—C4—C12	1.1 (11)	C26—C27—C32—C31	−94.4 (9)
C2—C3—C4—C5	−179.5 (8)	C31—C32—C33—O4	−11.7 (12)
C3—C4—C5—C6	−179.7 (8)	C27—C32—C33—O4	171.9 (7)
C12—C4—C5—C6	−0.2 (10)	C31—C32—C33—C34	169.5 (8)
C4—C5—C6—C7	0.0 (12)	C27—C32—C33—C34	−6.9 (11)
C5—C6—C7—C8	−179.0 (7)	C27—C26—O1—Pd1	−3.6 (11)
C5—C6—C7—C11	0.0 (10)	C25—C26—O1—Pd1	176.1 (6)
C11—C7—C8—C9	1.2 (9)	O2—Pd1—O1—C26	−1.6 (6)
C6—C7—C8—C9	−179.8 (7)	N1—Pd1—O1—C26	175.6 (6)
C7—C8—C9—C10	−0.7 (11)	C27—C28—O2—Pd1	−10.2 (12)
C8—C9—C10—N2	0.5 (12)	C29—C28—O2—Pd1	172.3 (7)
C8—C7—C11—N2	−1.6 (8)	O1—Pd1—O2—C28	7.9 (7)
C6—C7—C11—N2	179.3 (5)	N2—Pd1—O2—C28	−172.3 (6)
C8—C7—C11—C12	179.3 (5)	C32—C31—O3—Pd2	6.5 (10)
C6—C7—C11—C12	0.2 (8)	C30—C31—O3—Pd2	−174.3 (6)
N2—C11—C12—N1	1.1 (7)	O4—Pd2—O3—C31	−18.3 (6)
C7—C11—C12—N1	−179.8 (5)	N3—Pd2—O3—C31	159.5 (6)
N2—C11—C12—C4	−179.7 (5)	C32—C33—O4—Pd2	−7.7 (11)
C7—C11—C12—C4	−0.5 (8)	C34—C33—O4—Pd2	171.2 (6)
C3—C4—C12—N1	−0.7 (9)	O3—Pd2—O4—C33	18.9 (6)
C5—C4—C12—N1	179.8 (6)	N4—Pd2—O4—C33	−161.0 (6)
C3—C4—C12—C11	180.0 (6)	C11—C12—N1—C1	179.9 (6)
C5—C4—C12—C11	0.5 (8)	C4—C12—N1—C1	0.6 (9)
N3—C13—C14—C15	−0.1 (15)	C11—C12—N1—Pd1	−2.4 (6)
C13—C14—C15—C16	0.3 (16)	C4—C12—N1—Pd1	178.3 (4)
C14—C15—C16—C24	0.2 (13)	C2—C1—N1—C12	−0.7 (11)
C14—C15—C16—C17	179.3 (9)	C2—C1—N1—Pd1	−178.0 (6)
C15—C16—C17—C18	−179.4 (8)	O1—Pd1—N1—C12	−178.3 (4)
C24—C16—C17—C18	−0.3 (12)	N2—Pd1—N1—C12	2.2 (4)
C16—C17—C18—C19	−0.8 (13)	O1—Pd1—N1—C1	−0.8 (6)
C17—C18—C19—C20	−178.0 (8)	N2—Pd1—N1—C1	179.7 (6)
C17—C18—C19—C23	0.2 (11)	C9—C10—N2—C11	−0.8 (10)
C23—C19—C20—C21	1.6 (11)	C9—C10—N2—Pd1	178.8 (5)
C18—C19—C20—C21	179.8 (7)	C12—C11—N2—C10	−179.5 (5)
C19—C20—C21—C22	0.1 (12)	C7—C11—N2—C10	1.4 (8)
C20—C21—C22—N4	−1.3 (11)	C12—C11—N2—Pd1	0.9 (6)
C20—C19—C23—N4	−2.1 (10)	C7—C11—N2—Pd1	−178.3 (4)
C18—C19—C23—N4	179.6 (6)	O2—Pd1—N2—C10	−4.2 (6)
C20—C19—C23—C24	179.8 (6)	N1—Pd1—N2—C10	178.7 (6)
C18—C19—C23—C24	1.5 (9)	O2—Pd1—N2—C11	175.5 (4)
N4—C23—C24—N3	1.2 (8)	N1—Pd1—N2—C11	−1.6 (4)
C19—C23—C24—N3	179.3 (6)	C14—C13—N3—C24	−0.6 (12)
N4—C23—C24—C16	179.2 (6)	C14—C13—N3—Pd2	−178.6 (7)
C19—C23—C24—C16	−2.7 (9)	C23—C24—N3—C13	179.1 (6)
C15—C16—C24—N3	−1.0 (10)	C16—C24—N3—C13	1.2 (10)
C17—C16—C24—N3	179.9 (6)	C23—C24—N3—Pd2	−2.6 (7)
C15—C16—C24—C23	−178.8 (7)	C16—C24—N3—Pd2	179.4 (5)
C17—C16—C24—C23	2.0 (10)	O3—Pd2—N3—C13	0.2 (7)
O1—C26—C27—C28	3.9 (13)	N4—Pd2—N3—C13	−179.6 (7)
C25—C26—C27—C28	−175.8 (9)	O3—Pd2—N3—C24	−177.8 (4)
O1—C26—C27—C32	−176.2 (7)	N4—Pd2—N3—C24	2.3 (4)
C25—C26—C27—C32	4.2 (12)	C21—C22—N4—C23	0.8 (9)
C26—C27—C28—O2	3.9 (14)	C21—C22—N4—Pd2	178.7 (5)
C32—C27—C28—O2	−176.0 (8)	C19—C23—N4—C22	0.9 (9)
C26—C27—C28—C29	−178.8 (9)	C24—C23—N4—C22	179.0 (5)
C32—C27—C28—C29	1.2 (12)	C19—C23—N4—Pd2	−177.3 (5)
O3—C31—C32—C33	12.4 (12)	C24—C23—N4—Pd2	0.9 (6)
C30—C31—C32—C33	−166.7 (8)	O4—Pd2—N4—C22	−1.8 (6)
O3—C31—C32—C27	−171.1 (7)	N3—Pd2—N4—C22	−179.7 (6)
C30—C31—C32—C27	9.7 (11)	O4—Pd2—N4—C23	176.1 (4)
C28—C27—C32—C33	−97.9 (9)	N3—Pd2—N4—C23	−1.7 (4)

Symmetry code: (i) −x+1/2, −y+1/2, z.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
C3—H3A···F5^ii	0.93	2.47	3.380 (12)	166
C8—H8A···F9^iii	0.93	2.20	3.102 (13)	163
C15—H15A···F3^iv	0.93	2.48	3.031 (14)	118
C20—H20A···F10^v	0.93	2.45	3.162 (16)	133
C22—H22A···N5^vi	0.93	2.56	3.375 (15)	146

Symmetry codes: (ii) −x+1/4, y−1/4, z−1/4; (iii) −x−1/4, y−1/4, z+1/4; (iv) x−1/4, −y+3/4, z+1/4; (v) x−1/4, −y+3/4, z−3/4; (vi) −x, −y+1/2, z−1/2.