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In the title complex, [Pd2(C10H12O4)(C12H8N2)2](PF6)2·CH3CN, the PdII 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).

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806039092/ng2095sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806039092/ng2095Isup2.hkl
Contains datablock I

CCDC reference: 626341

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

Computing details top

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 top
Crystal data top
[Pd2(C10H12O4)(C12H8N2)2](PF6)2·C2H3NF(000) = 8704
Mr = 1100.40Dx = 1.777 Mg m3
Orthorhombic, Fdd2Mo Kα radiation, λ = 0.71073 Å
Hall symbol: F 2 -2dCell parameters from 3854 reflections
a = 22.321 (5) Åθ = 1.7–27.5°
b = 47.887 (10) ŵ = 1.05 mm1
c = 15.392 (3) ÅT = 298 K
V = 16453 (6) Å3Block, yellow
Z = 160.45 × 0.25 × 0.20 mm
Data collection top
Bruker SMART APEX CCD area-detector
diffractometer
8766 independent reflections
Radiation source: sealed tube7916 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.033
φ and ω scansθmax = 27.0°, θmin = 1.7°
Absorption correction: multi-scan
(SADABS; Bruker, 2001)
h = 2828
Tmin = 0.740, Tmax = 0.810k = 6161
36699 measured reflectionsl = 1919
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.050H-atom parameters constrained
wR(F2) = 0.153 w = 1/[σ2(Fo2) + (0.1556P)2 + 1.928P]
where P = (Fo2 + 2Fc2)/3
S = 1.02(Δ/σ)max = 0.001
8766 reflectionsΔρmax = 0.75 e Å3
557 parametersΔρmin = 1.32 e Å3
0 restraintsAbsolute structure: Flack (1983), with 4110 Friedel pairs
Primary atom site location: structure-invariant direct methodsAbsolute structure parameter: 0.47 (4)
Special details top

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 (Å2) top
xyzUiso*/Ueq
Pd10.04219 (2)0.183220 (9)0.59957 (3)0.05104 (13)
Pd20.01663 (2)0.334440 (10)0.39912 (3)0.05373 (14)
C10.0063 (4)0.13020 (17)0.5203 (6)0.0714 (19)
H1A0.02850.14130.48270.086*
C20.0096 (6)0.10143 (18)0.5137 (6)0.085 (3)
H2A0.03450.09330.47230.102*
C30.0229 (5)0.08513 (18)0.5666 (7)0.088 (3)
H3A0.02080.06580.56060.105*
C40.0602 (4)0.09669 (14)0.6312 (5)0.068 (2)
C50.0972 (6)0.0820 (2)0.6929 (8)0.091 (3)
H5A0.09740.06260.69210.109*
C60.1312 (4)0.0953 (2)0.7513 (8)0.089 (3)
H6A0.15440.08500.78980.107*
C70.1324 (3)0.12529 (18)0.7553 (5)0.0662 (19)
C80.1658 (3)0.1403 (2)0.8149 (6)0.078 (2)
H8A0.18940.13120.85590.093*
C90.1634 (3)0.1690 (2)0.8120 (6)0.079 (2)
H9A0.18600.17930.85130.095*
C100.1281 (3)0.18285 (18)0.7517 (5)0.0667 (17)
H10A0.12700.20230.75150.080*
C110.0969 (3)0.14031 (14)0.6961 (4)0.0549 (15)
C120.0616 (3)0.12629 (14)0.6348 (4)0.0579 (16)
C130.0861 (4)0.37527 (19)0.5085 (6)0.076 (2)
H13A0.10270.36000.53710.091*
C140.1030 (5)0.4028 (2)0.5350 (8)0.090 (3)
H14A0.13020.40520.58020.108*
C150.0800 (6)0.4247 (2)0.4951 (8)0.094 (3)
H15A0.09120.44250.51230.113*
C160.0393 (4)0.42129 (16)0.4279 (6)0.076 (2)
C170.0106 (5)0.44290 (19)0.3800 (8)0.088 (3)
H17A0.01940.46140.39330.106*
C180.0290 (5)0.43754 (19)0.3158 (9)0.091 (3)
H18A0.04700.45240.28680.109*
C190.0441 (4)0.4092 (2)0.2913 (6)0.074 (2)
C200.0829 (4)0.4020 (2)0.2246 (7)0.091 (3)
H20A0.10160.41580.19180.109*
C210.0933 (4)0.3743 (2)0.2076 (6)0.079 (2)
H21A0.11920.36940.16290.095*
C220.0658 (4)0.3538 (2)0.2558 (5)0.074 (2)
H22A0.07410.33520.24390.089*
C230.0160 (3)0.38793 (15)0.3370 (5)0.0625 (17)
C240.0240 (3)0.39356 (14)0.4052 (5)0.0608 (16)
C250.0696 (4)0.21944 (19)0.4082 (7)0.083 (2)
H25A0.08800.20140.40240.124*
H25B0.09940.23300.42400.124*
H25C0.05160.22470.35400.124*
C260.0222 (3)0.21824 (15)0.4777 (5)0.0593 (15)
C270.0071 (3)0.24248 (13)0.5079 (5)0.0587 (15)
C280.0484 (3)0.24275 (15)0.5756 (5)0.0643 (18)
C290.0790 (5)0.26948 (17)0.6035 (8)0.088 (3)
H29A0.11020.26520.64430.132*
H29B0.09600.27850.55360.132*
H29C0.05020.28160.63030.132*
C300.0908 (5)0.27633 (19)0.5752 (7)0.085 (3)
H30A0.11850.29060.59230.128*
H30B0.11250.26030.55480.128*
H30C0.06650.27110.62410.128*
C310.0512 (3)0.28719 (15)0.5034 (5)0.0585 (14)
C320.0065 (3)0.26999 (13)0.4655 (5)0.0573 (14)
C330.0232 (3)0.27698 (15)0.3873 (5)0.0627 (16)
C340.0621 (5)0.2566 (2)0.3413 (8)0.089 (3)
H34A0.07580.26460.28770.133*
H34B0.09580.25200.37720.133*
H34C0.03960.23990.32920.133*
O10.0124 (2)0.19352 (10)0.5049 (4)0.0624 (11)
O20.0645 (3)0.22216 (10)0.6240 (3)0.0654 (12)
O30.0633 (3)0.31236 (11)0.4822 (4)0.0644 (11)
O40.0211 (2)0.30077 (11)0.3491 (3)0.0664 (11)
N10.0288 (3)0.14215 (12)0.5808 (4)0.0569 (12)
N20.0958 (2)0.16871 (12)0.6946 (4)0.0574 (12)
N30.0485 (3)0.37098 (13)0.4462 (4)0.0613 (14)
N40.0273 (3)0.36009 (14)0.3195 (4)0.0601 (14)
P10.25000.25000.3534 (2)0.0749 (7)
P20.25000.25000.8827 (3)0.0842 (9)
P30.03805 (13)0.34603 (7)0.75055 (17)0.0892 (7)
F10.2023 (4)0.2569 (2)0.4251 (8)0.138 (3)
F20.2965 (5)0.2436 (2)0.2808 (8)0.156 (4)
F30.2706 (4)0.28087 (15)0.3557 (9)0.145 (4)
F40.2059 (3)0.27549 (13)0.8839 (7)0.121 (3)
F50.2896 (4)0.26500 (17)0.8123 (8)0.138 (3)
F60.2103 (4)0.2353 (2)0.9514 (8)0.147 (4)
F70.0004 (6)0.3192 (2)0.7490 (13)0.189 (6)
F80.0931 (4)0.3332 (2)0.7005 (10)0.170 (4)
F90.0119 (6)0.3576 (4)0.6691 (11)0.206 (7)
F100.0667 (7)0.3354 (3)0.8352 (8)0.210 (6)
F110.0825 (6)0.3716 (2)0.7565 (12)0.192 (6)
F120.0120 (7)0.3617 (3)0.7983 (13)0.224 (8)
N50.1322 (5)0.1989 (3)0.6469 (8)0.119 (3)
C350.1750 (7)0.1981 (4)0.6104 (12)0.137 (7)
C360.2353 (8)0.1949 (4)0.5676 (16)0.163 (8)
H36A0.24660.21230.54100.245*
H36B0.23310.18060.52400.245*
H36C0.26460.18980.61050.245*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Pd10.0534 (2)0.0361 (2)0.0636 (2)0.00071 (17)0.00393 (19)0.00563 (18)
Pd20.0581 (2)0.0448 (2)0.0583 (2)0.00192 (19)0.01555 (18)0.00727 (19)
C10.091 (5)0.046 (4)0.077 (5)0.011 (4)0.014 (4)0.002 (3)
C20.129 (8)0.047 (4)0.080 (5)0.012 (4)0.023 (5)0.009 (4)
C30.127 (8)0.042 (4)0.094 (6)0.005 (4)0.042 (6)0.007 (4)
C40.078 (4)0.041 (3)0.085 (5)0.010 (3)0.044 (4)0.011 (3)
C50.110 (7)0.053 (4)0.109 (7)0.025 (5)0.060 (7)0.030 (5)
C60.074 (5)0.082 (6)0.112 (7)0.032 (5)0.050 (5)0.051 (6)
C70.049 (3)0.072 (4)0.078 (4)0.012 (3)0.024 (3)0.029 (4)
C80.051 (3)0.099 (6)0.083 (5)0.017 (4)0.021 (3)0.041 (5)
C90.056 (4)0.100 (7)0.081 (5)0.001 (4)0.004 (3)0.023 (5)
C100.052 (3)0.077 (5)0.071 (4)0.007 (3)0.010 (3)0.011 (3)
C110.046 (3)0.055 (3)0.064 (3)0.009 (2)0.027 (2)0.021 (3)
C120.063 (3)0.044 (3)0.067 (4)0.009 (3)0.037 (3)0.012 (3)
C130.094 (6)0.058 (4)0.075 (4)0.009 (4)0.011 (4)0.003 (4)
C140.103 (7)0.061 (5)0.105 (7)0.014 (5)0.005 (5)0.005 (5)
C150.107 (8)0.068 (5)0.107 (7)0.025 (5)0.035 (6)0.026 (5)
C160.087 (5)0.050 (4)0.092 (6)0.002 (4)0.048 (4)0.003 (4)
C170.107 (7)0.049 (4)0.109 (7)0.002 (4)0.043 (6)0.006 (4)
C180.093 (6)0.055 (5)0.124 (8)0.023 (4)0.053 (6)0.033 (5)
C190.066 (4)0.078 (5)0.079 (5)0.008 (4)0.027 (4)0.027 (4)
C200.080 (5)0.097 (7)0.095 (6)0.018 (5)0.039 (5)0.036 (5)
C210.067 (4)0.106 (7)0.066 (4)0.004 (4)0.010 (3)0.016 (4)
C220.065 (4)0.088 (6)0.070 (4)0.008 (4)0.028 (3)0.010 (4)
C230.063 (3)0.055 (4)0.069 (4)0.006 (3)0.033 (3)0.017 (3)
C240.067 (3)0.052 (3)0.064 (3)0.001 (3)0.028 (3)0.011 (3)
C250.080 (5)0.066 (5)0.102 (6)0.004 (4)0.037 (5)0.004 (4)
C260.056 (3)0.048 (3)0.074 (4)0.000 (3)0.009 (3)0.003 (3)
C270.061 (3)0.037 (3)0.078 (4)0.001 (3)0.008 (3)0.005 (3)
C280.070 (4)0.041 (3)0.082 (5)0.004 (3)0.011 (3)0.007 (3)
C290.104 (6)0.046 (4)0.113 (7)0.014 (4)0.044 (6)0.011 (4)
C300.096 (6)0.061 (5)0.099 (6)0.000 (4)0.027 (5)0.013 (4)
C310.062 (3)0.046 (3)0.067 (4)0.000 (3)0.006 (3)0.005 (3)
C320.062 (3)0.037 (3)0.073 (4)0.001 (3)0.007 (3)0.005 (3)
C330.059 (3)0.054 (4)0.075 (4)0.008 (3)0.004 (3)0.004 (3)
C340.092 (5)0.063 (5)0.111 (7)0.014 (4)0.036 (5)0.007 (5)
O10.067 (3)0.041 (2)0.080 (3)0.002 (2)0.011 (2)0.001 (2)
O20.079 (3)0.039 (2)0.079 (3)0.007 (2)0.019 (2)0.007 (2)
O30.069 (3)0.051 (3)0.073 (3)0.008 (2)0.007 (2)0.003 (2)
O40.079 (3)0.057 (3)0.063 (3)0.007 (2)0.006 (2)0.008 (2)
N10.066 (3)0.038 (3)0.067 (3)0.001 (2)0.018 (2)0.007 (2)
N20.051 (2)0.049 (3)0.072 (3)0.001 (2)0.013 (2)0.010 (2)
N30.061 (3)0.051 (3)0.072 (3)0.002 (2)0.025 (3)0.002 (3)
N40.054 (3)0.064 (4)0.063 (3)0.001 (2)0.020 (2)0.016 (3)
P10.0837 (16)0.0578 (15)0.0831 (17)0.0046 (13)0.0000.000
P20.0897 (19)0.0499 (15)0.113 (3)0.0046 (14)0.0000.000
P30.0940 (16)0.101 (2)0.0726 (12)0.0042 (14)0.0050 (11)0.0029 (12)
F10.124 (6)0.121 (7)0.169 (8)0.006 (5)0.037 (5)0.025 (6)
F20.168 (9)0.140 (8)0.160 (9)0.043 (7)0.036 (6)0.015 (7)
F30.156 (7)0.067 (4)0.213 (10)0.005 (4)0.036 (8)0.002 (5)
F40.115 (5)0.063 (3)0.185 (8)0.016 (3)0.002 (5)0.001 (4)
F50.126 (6)0.090 (5)0.199 (10)0.004 (4)0.033 (6)0.034 (5)
F60.127 (6)0.110 (6)0.203 (10)0.018 (5)0.029 (6)0.062 (7)
F70.165 (9)0.119 (8)0.283 (16)0.043 (7)0.013 (11)0.005 (9)
F80.122 (6)0.144 (8)0.242 (13)0.031 (6)0.010 (8)0.043 (9)
F90.161 (9)0.260 (16)0.198 (12)0.073 (10)0.034 (8)0.075 (12)
F100.195 (11)0.288 (17)0.145 (9)0.018 (11)0.074 (9)0.044 (10)
F110.169 (10)0.111 (7)0.296 (17)0.006 (7)0.010 (11)0.002 (8)
F120.215 (13)0.179 (12)0.28 (2)0.003 (11)0.091 (14)0.074 (14)
N50.116 (8)0.124 (9)0.118 (8)0.005 (7)0.007 (7)0.024 (7)
C350.107 (9)0.154 (14)0.150 (12)0.035 (9)0.031 (9)0.085 (12)
C360.136 (13)0.152 (15)0.20 (2)0.013 (11)0.060 (13)0.060 (15)
Geometric parameters (Å, º) top
Pd1—N12.010 (6)C22—H22A0.9300
Pd1—N22.013 (6)C23—N41.383 (10)
Pd2—N32.023 (6)C23—C241.404 (12)
Pd2—N41.993 (6)C24—N31.366 (10)
Pd1—O11.962 (5)C25—C261.506 (10)
Pd1—O21.966 (5)C25—H25A0.9600
Pd2—O31.959 (5)C25—H25B0.9600
Pd2—O41.975 (5)C25—H25C0.9600
C1—N11.345 (11)C26—O11.275 (9)
C1—C21.383 (11)C26—C271.411 (9)
C1—H1A0.9300C27—C281.391 (10)
C2—C31.341 (17)C27—C321.501 (9)
C2—H2A0.9300C28—O21.287 (9)
C3—C41.409 (16)C28—C291.513 (10)
C3—H3A0.9300C29—H29A0.9600
C4—C121.419 (10)C29—H29B0.9600
C4—C51.442 (15)C29—H29C0.9600
C5—C61.336 (18)C30—C311.506 (11)
C5—H5A0.9300C30—H30A0.9600
C6—C71.438 (14)C30—H30B0.9600
C6—H6A0.9300C30—H30C0.9600
C7—C81.383 (14)C31—O31.278 (9)
C7—C111.406 (10)C31—C321.420 (10)
C8—C91.374 (14)C32—C331.413 (11)
C8—H8A0.9300C33—O41.283 (9)
C9—C101.387 (12)C33—C341.486 (11)
C9—H9A0.9300C34—H34A0.9600
C10—N21.324 (11)C34—H34B0.9600
C10—H10A0.9300C34—H34C0.9600
C11—N21.360 (9)P1—F3i1.549 (8)
C11—C121.401 (11)P1—F31.549 (8)
C12—N11.342 (9)P1—F2i1.556 (10)
C13—N31.291 (12)P1—F21.556 (10)
C13—C141.430 (13)P1—F11.569 (9)
C13—H13A0.9300P1—F1i1.569 (9)
C14—C151.319 (18)P2—F61.548 (10)
C14—H14A0.9300P2—F6i1.548 (10)
C15—C161.387 (17)P2—F4i1.568 (6)
C15—H15A0.9300P2—F41.568 (6)
C16—C241.415 (11)P2—F5i1.572 (9)
C16—C171.423 (15)P2—F51.572 (9)
C17—C181.349 (17)P3—F91.490 (13)
C17—H17A0.9300P3—F121.533 (13)
C18—C191.449 (15)P3—F101.539 (11)
C18—H18A0.9300P3—F71.545 (11)
C19—C201.387 (16)P3—F81.575 (11)
C19—C231.387 (11)P3—F111.577 (12)
C20—C211.370 (16)N5—C351.11 (2)
C20—H20A0.9300C35—C361.51 (3)
C21—C221.376 (14)C36—H36A0.9600
C21—H21A0.9300C36—H36B0.9600
C22—N41.338 (12)C36—H36C0.9600
N1—Pd1—N281.7 (3)O2—C28—C29111.0 (7)
N1—Pd1—O192.7 (2)C27—C28—C29121.3 (7)
N1—Pd1—O2173.2 (2)C28—C29—H29A109.5
N2—Pd1—O1174.3 (2)C28—C29—H29B109.5
N2—Pd1—O292.2 (2)H29A—C29—H29B109.5
N3—Pd2—O392.7 (2)C28—C29—H29C109.5
N3—Pd2—O4174.6 (3)H29A—C29—H29C109.5
N3—Pd2—N481.9 (3)H29B—C29—H29C109.5
N4—Pd2—O3174.6 (3)C31—C30—H30A109.5
N4—Pd2—O493.1 (3)C31—C30—H30B109.5
O1—Pd1—O293.5 (2)H30A—C30—H30B109.5
O3—Pd2—O492.3 (2)C31—C30—H30C109.5
N1—C1—C2120.3 (9)H30A—C30—H30C109.5
N1—C1—H1A119.8H30B—C30—H30C109.5
C2—C1—H1A119.8O3—C31—C32126.2 (7)
C3—C2—C1120.4 (10)O3—C31—C30112.9 (7)
C3—C2—H2A119.8C32—C31—C30120.9 (7)
C1—C2—H2A119.8C33—C32—C31122.8 (6)
C2—C3—C4121.3 (8)C33—C32—C27118.9 (6)
C2—C3—H3A119.4C31—C32—C27118.1 (7)
C4—C3—H3A119.4O4—C33—C32125.7 (7)
C3—C4—C12115.7 (8)O4—C33—C34112.8 (7)
C3—C4—C5127.8 (8)C32—C33—C34121.5 (7)
C12—C4—C5116.6 (9)C33—C34—H34A109.5
C6—C5—C4122.5 (9)C33—C34—H34B109.5
C6—C5—H5A118.7H34A—C34—H34B109.5
C4—C5—H5A118.7C33—C34—H34C109.5
C5—C6—C7121.0 (9)H34A—C34—H34C109.5
C5—C6—H6A119.5H34B—C34—H34C109.5
C7—C6—H6A119.5C26—O1—Pd1125.7 (4)
C8—C7—C11117.9 (8)C28—O2—Pd1123.0 (5)
C8—C7—C6124.0 (8)C31—O3—Pd2124.4 (5)
C11—C7—C6118.1 (9)C33—O4—Pd2124.2 (5)
C9—C8—C7118.5 (7)C12—N1—C1120.4 (7)
C9—C8—H8A120.8C12—N1—Pd1112.6 (5)
C7—C8—H8A120.8C1—N1—Pd1127.0 (5)
C8—C9—C10121.5 (9)C10—N2—C11119.3 (7)
C8—C9—H9A119.3C10—N2—Pd1129.0 (5)
C10—C9—H9A119.3C11—N2—Pd1111.6 (5)
N2—C10—C9120.6 (8)C13—N3—C24118.5 (7)
N2—C10—H10A119.7C13—N3—Pd2129.2 (6)
C9—C10—H10A119.7C24—N3—Pd2112.3 (5)
N2—C11—C12117.2 (6)C22—N4—C23118.4 (7)
N2—C11—C7122.2 (7)C22—N4—Pd2128.9 (6)
C12—C11—C7120.6 (7)C23—N4—Pd2112.6 (5)
N1—C12—C11116.9 (6)F3i—P1—F3177.4 (10)
N1—C12—C4121.9 (8)F3i—P1—F2i90.3 (6)
C11—C12—C4121.2 (7)F3—P1—F2i91.6 (7)
N3—C13—C14122.1 (10)F3i—P1—F291.6 (7)
N3—C13—H13A119.0F3—P1—F290.3 (6)
C14—C13—H13A119.0F2i—P1—F288.2 (9)
C15—C14—C13119.7 (11)F3i—P1—F189.0 (6)
C15—C14—H14A120.2F3—P1—F189.1 (5)
C13—C14—H14A120.2F2i—P1—F190.6 (6)
C14—C15—C16120.7 (9)F2—P1—F1178.6 (7)
C14—C15—H15A119.6F3i—P1—F1i89.1 (5)
C16—C15—H15A119.6F3—P1—F1i89.0 (6)
C15—C16—C24116.8 (9)F2i—P1—F1i178.6 (7)
C15—C16—C17126.7 (10)F2—P1—F1i90.6 (6)
C24—C16—C17116.5 (10)F1—P1—F1i90.6 (9)
C18—C17—C16122.4 (9)F6—P2—F6i93.9 (10)
C18—C17—H17A118.8F6—P2—F4i89.9 (5)
C16—C17—H17A118.8F6i—P2—F4i89.2 (5)
C17—C18—C19121.4 (9)F6—P2—F489.2 (5)
C17—C18—H18A119.3F6i—P2—F489.9 (5)
C19—C18—H18A119.3F4i—P2—F4178.7 (8)
C20—C19—C23118.4 (10)F6—P2—F5i86.7 (6)
C20—C19—C18124.9 (9)F6i—P2—F5i179.2 (6)
C23—C19—C18116.7 (10)F4i—P2—F5i90.3 (5)
C21—C20—C19119.2 (9)F4—P2—F5i90.6 (5)
C21—C20—H20A120.4F6—P2—F5179.2 (6)
C19—C20—H20A120.4F6i—P2—F586.7 (6)
C20—C21—C22120.7 (10)F4i—P2—F590.6 (5)
C20—C21—H21A119.6F4—P2—F590.3 (5)
C22—C21—H21A119.6F5i—P2—F592.8 (9)
N4—C22—C21121.5 (9)F9—P3—F1286.3 (10)
N4—C22—H22A119.3F9—P3—F10177.3 (10)
C21—C22—H22A119.3F12—P3—F1093.4 (10)
N4—C23—C19121.7 (8)F9—P3—F794.5 (10)
N4—C23—C24116.5 (6)F12—P3—F790.6 (9)
C19—C23—C24121.7 (8)F10—P3—F788.1 (10)
N3—C24—C23116.6 (7)F9—P3—F892.2 (8)
N3—C24—C16122.2 (9)F12—P3—F8173.4 (8)
C23—C24—C16121.2 (8)F10—P3—F887.8 (8)
C26—C25—H25A109.5F7—P3—F895.9 (8)
C26—C25—H25B109.5F9—P3—F1190.4 (9)
H25A—C25—H25B109.5F12—P3—F1192.8 (8)
C26—C25—H25C109.5F10—P3—F1187.0 (8)
H25A—C25—H25C109.5F7—P3—F11174.2 (8)
H25B—C25—H25C109.5F8—P3—F1180.8 (7)
O1—C26—C27125.2 (6)N5—C35—C36174.1 (16)
O1—C26—C25112.9 (6)C35—C36—H36A109.5
C27—C26—C25121.9 (7)C35—C36—H36B109.5
C28—C27—C26124.2 (6)H36A—C36—H36B109.5
C28—C27—C32116.8 (6)C35—C36—H36C109.5
C26—C27—C32119.0 (6)H36A—C36—H36C109.5
O2—C28—C27127.7 (7)H36B—C36—H36C109.5
N1—C1—C2—C31.0 (14)C26—C27—C32—C3382.2 (9)
C1—C2—C3—C41.2 (14)C28—C27—C32—C3185.6 (9)
C2—C3—C4—C121.1 (11)C26—C27—C32—C3194.4 (9)
C2—C3—C4—C5179.5 (8)C31—C32—C33—O411.7 (12)
C3—C4—C5—C6179.7 (8)C27—C32—C33—O4171.9 (7)
C12—C4—C5—C60.2 (10)C31—C32—C33—C34169.5 (8)
C4—C5—C6—C70.0 (12)C27—C32—C33—C346.9 (11)
C5—C6—C7—C8179.0 (7)C27—C26—O1—Pd13.6 (11)
C5—C6—C7—C110.0 (10)C25—C26—O1—Pd1176.1 (6)
C11—C7—C8—C91.2 (9)O2—Pd1—O1—C261.6 (6)
C6—C7—C8—C9179.8 (7)N1—Pd1—O1—C26175.6 (6)
C7—C8—C9—C100.7 (11)C27—C28—O2—Pd110.2 (12)
C8—C9—C10—N20.5 (12)C29—C28—O2—Pd1172.3 (7)
C8—C7—C11—N21.6 (8)O1—Pd1—O2—C287.9 (7)
C6—C7—C11—N2179.3 (5)N2—Pd1—O2—C28172.3 (6)
C8—C7—C11—C12179.3 (5)C32—C31—O3—Pd26.5 (10)
C6—C7—C11—C120.2 (8)C30—C31—O3—Pd2174.3 (6)
N2—C11—C12—N11.1 (7)O4—Pd2—O3—C3118.3 (6)
C7—C11—C12—N1179.8 (5)N3—Pd2—O3—C31159.5 (6)
N2—C11—C12—C4179.7 (5)C32—C33—O4—Pd27.7 (11)
C7—C11—C12—C40.5 (8)C34—C33—O4—Pd2171.2 (6)
C3—C4—C12—N10.7 (9)O3—Pd2—O4—C3318.9 (6)
C5—C4—C12—N1179.8 (6)N4—Pd2—O4—C33161.0 (6)
C3—C4—C12—C11180.0 (6)C11—C12—N1—C1179.9 (6)
C5—C4—C12—C110.5 (8)C4—C12—N1—C10.6 (9)
N3—C13—C14—C150.1 (15)C11—C12—N1—Pd12.4 (6)
C13—C14—C15—C160.3 (16)C4—C12—N1—Pd1178.3 (4)
C14—C15—C16—C240.2 (13)C2—C1—N1—C120.7 (11)
C14—C15—C16—C17179.3 (9)C2—C1—N1—Pd1178.0 (6)
C15—C16—C17—C18179.4 (8)O1—Pd1—N1—C12178.3 (4)
C24—C16—C17—C180.3 (12)N2—Pd1—N1—C122.2 (4)
C16—C17—C18—C190.8 (13)O1—Pd1—N1—C10.8 (6)
C17—C18—C19—C20178.0 (8)N2—Pd1—N1—C1179.7 (6)
C17—C18—C19—C230.2 (11)C9—C10—N2—C110.8 (10)
C23—C19—C20—C211.6 (11)C9—C10—N2—Pd1178.8 (5)
C18—C19—C20—C21179.8 (7)C12—C11—N2—C10179.5 (5)
C19—C20—C21—C220.1 (12)C7—C11—N2—C101.4 (8)
C20—C21—C22—N41.3 (11)C12—C11—N2—Pd10.9 (6)
C20—C19—C23—N42.1 (10)C7—C11—N2—Pd1178.3 (4)
C18—C19—C23—N4179.6 (6)O2—Pd1—N2—C104.2 (6)
C20—C19—C23—C24179.8 (6)N1—Pd1—N2—C10178.7 (6)
C18—C19—C23—C241.5 (9)O2—Pd1—N2—C11175.5 (4)
N4—C23—C24—N31.2 (8)N1—Pd1—N2—C111.6 (4)
C19—C23—C24—N3179.3 (6)C14—C13—N3—C240.6 (12)
N4—C23—C24—C16179.2 (6)C14—C13—N3—Pd2178.6 (7)
C19—C23—C24—C162.7 (9)C23—C24—N3—C13179.1 (6)
C15—C16—C24—N31.0 (10)C16—C24—N3—C131.2 (10)
C17—C16—C24—N3179.9 (6)C23—C24—N3—Pd22.6 (7)
C15—C16—C24—C23178.8 (7)C16—C24—N3—Pd2179.4 (5)
C17—C16—C24—C232.0 (10)O3—Pd2—N3—C130.2 (7)
O1—C26—C27—C283.9 (13)N4—Pd2—N3—C13179.6 (7)
C25—C26—C27—C28175.8 (9)O3—Pd2—N3—C24177.8 (4)
O1—C26—C27—C32176.2 (7)N4—Pd2—N3—C242.3 (4)
C25—C26—C27—C324.2 (12)C21—C22—N4—C230.8 (9)
C26—C27—C28—O23.9 (14)C21—C22—N4—Pd2178.7 (5)
C32—C27—C28—O2176.0 (8)C19—C23—N4—C220.9 (9)
C26—C27—C28—C29178.8 (9)C24—C23—N4—C22179.0 (5)
C32—C27—C28—C291.2 (12)C19—C23—N4—Pd2177.3 (5)
O3—C31—C32—C3312.4 (12)C24—C23—N4—Pd20.9 (6)
C30—C31—C32—C33166.7 (8)O4—Pd2—N4—C221.8 (6)
O3—C31—C32—C27171.1 (7)N3—Pd2—N4—C22179.7 (6)
C30—C31—C32—C279.7 (11)O4—Pd2—N4—C23176.1 (4)
C28—C27—C32—C3397.9 (9)N3—Pd2—N4—C231.7 (4)
Symmetry code: (i) x+1/2, y+1/2, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C3—H3A···F5ii0.932.473.380 (12)166
C8—H8A···F9iii0.932.203.102 (13)163
C15—H15A···F3iv0.932.483.031 (14)118
C20—H20A···F10v0.932.453.162 (16)133
C22—H22A···N5vi0.932.563.375 (15)146
Symmetry codes: (ii) x+1/4, y1/4, z1/4; (iii) x1/4, y1/4, z+1/4; (iv) x1/4, y+3/4, z+1/4; (v) x1/4, y+3/4, z3/4; (vi) x, y+1/2, z1/2.
 

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