#------------------------------------------------------------------------------
#$Date: 2016-03-23 20:40:04 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179418 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/15/4331523.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4331523
loop_
_publ_author_name
'Mori, Shigeki'
'Shimizu, Soji'
'Taniguchi, Ryuichiro'
'Osuka, Atsuhiro'
_publ_section_title
;
 Group 10 Metal Complexes ofmeso-Aryl-Substituted [26]Hexaphyrins with a
 Metal−Carbon Bond
;
_journal_issue                   12
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4127
_journal_page_last               4129
_journal_paper_doi               10.1021/ic050447e
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C76 H12 Cl6 F29 N6 O0 Pd2'
_chemical_formula_sum            'C76 H12 Cl6 F29 N6 O0 Pd2'
_chemical_formula_weight         1985.42
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                99.10(5)
_cell_angle_beta                 90.36(4)
_cell_angle_gamma                104.40(5)
_cell_formula_units_Z            2
_cell_length_a                   13.838(7)
_cell_length_b                   14.394(8)
_cell_length_c                   18.255(10)
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     3474(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.949
_diffrn_measured_fraction_theta_max 0.949
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0522
_diffrn_reflns_av_sigmaI/netI    0.0435
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            21753
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.03
_exptl_absorpt_coefficient_mu    0.880
_exptl_absorpt_correction_T_max  0.8793
_exptl_absorpt_correction_T_min  0.6203
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.898
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1930
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.613
_refine_diff_density_min         -2.055
_refine_diff_density_rms         0.196
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1001
_refine_ls_number_reflns         11625
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.1113
_refine_ls_R_factor_gt           0.0988
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1698P)²+27.8021P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2706
_refine_ls_wR_factor_ref         0.2846
_reflns_number_gt                9578
_reflns_number_total             11625
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic050447esup3.cif
_cod_data_source_block           hexa-pd2
_cod_original_cell_volume        3473(3)
_cod_database_code               4331523
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Pd1 Pd 0.66726(5) 0.02453(5) 0.23053(4) 0.0389(2) Uani 1 1 d .
Pd2 Pd 0.78718(5) -0.20498(5) 0.22578(4) 0.0437(2) Uani 1 1 d .
F1 F 1.0386(4) 0.1783(4) 0.0915(3) 0.0503(13) Uani 1 1 d .
N1 N 0.8049(6) -0.3365(5) 0.2014(4) 0.0457(18) Uani 1 1 d .
F2 F 1.2051(4) 0.1136(4) 0.0990(3) 0.0521(13) Uani 1 1 d .
N2 N 0.7238(5) 0.1138(5) 0.1559(4) 0.0408(16) Uani 1 1 d .
F3 F 1.1935(4) -0.0779(4) 0.0976(3) 0.0507(13) Uani 1 1 d .
N3 N 0.5949(6) -0.0709(5) 0.2951(4) 0.0421(16) Uani 1 1 d .
N4 N 0.5415(6) 0.0651(5) 0.2208(4) 0.0422(16) Uani 1 1 d .
F4 F 1.0144(4) -0.2077(4) 0.0908(3) 0.0499(13) Uani 1 1 d .
N5 N 0.8318(5) -0.1332(5) 0.0832(4) 0.0400(16) Uani 1 1 d .
C1 C 0.9317(7) -0.0826(6) 0.0874(5) 0.0425(19) Uani 1 1 d .
N6 N 0.7856(6) -0.2248(6) 0.3362(5) 0.0484(19) Uani 1 1 d .
F5 F 0.9604(4) -0.3915(4) 0.0151(4) 0.0575(14) Uani 1 1 d .
F6 F 0.9816(5) -0.4368(4) -0.1281(4) 0.0668(17) Uani 1 1 d .
F7 F 0.5646(4) -0.0039(5) 0.4440(4) 0.0655(16) Uani 1 1 d .
F8 F 0.2555(4) -0.0770(5) 0.3173(3) 0.0598(15) Uani 1 1 d .
F9 F 0.7266(5) -0.4820(5) 0.4218(4) 0.080(2) Uani 1 1 d .
F10 F 0.9134(4) 0.0284(5) 0.4402(4) 0.0699(18) Uani 1 1 d .
F11 F 0.3908(5) -0.2467(5) 0.1185(4) 0.0688(17) Uani 1 1 d .
F12 F 0.5418(5) 0.5908(4) 0.1743(5) 0.0759(19) Uani 1 1 d .
F13 F 0.6637(5) -0.3004(5) -0.0386(4) 0.0653(16) Uani 1 1 d .
C2 C 0.8331(7) 0.0267(6) 0.0889(5) 0.0425(19) Uani 1 1 d .
C3 C 0.8904(7) -0.3803(6) -0.0310(6) 0.047(2) Uani 1 1 d .
C4 C 0.7978(6) -0.3164(6) 0.0762(5) 0.043(2) Uani 1 1 d .
C5 C 0.4296(7) -0.0909(6) 0.2368(5) 0.044(2) Uani 1 1 d .
C6 C 0.7729(7) -0.0677(6) 0.0841(5) 0.0410(19) Uani 1 1 d .
C7 C 0.5957(7) 0.3210(6) 0.1798(6) 0.045(2) Uani 1 1 d .
F14 F 1.0347(5) -0.4146(5) 0.3071(4) 0.0712(18) Uani 1 1 d .
C8 C 0.3290(7) -0.1578(7) 0.2177(5) 0.048(2) Uani 1 1 d .
F15 F 0.0520(5) -0.3490(5) 0.1655(5) 0.083(2) Uani 1 1 d .
C9 C 0.6132(7) 0.2239(6) 0.1839(5) 0.0417(19) Uani 1 1 d .
F16 F 0.0737(5) -0.2014(6) 0.2805(4) 0.080(2) Uani 1 1 d .
C10 C 0.5686(7) -0.2199(6) 0.3311(5) 0.045(2) Uani 1 1 d .
H1 H 0.5807 -0.2727 0.3519 0.054 Uiso 1 1 calc R
C11 C 0.8055(7) -0.3763(7) 0.1257(6) 0.048(2) Uani 1 1 d .
F17 F 0.6274(8) 0.3683(6) 0.3080(4) 0.099(3) Uani 1 1 d .
C12 C 0.7765(6) -0.2208(6) 0.1091(5) 0.0401(18) Uani 1 1 d .
C13 C 0.6716(7) -0.1191(6) 0.0922(5) 0.0430(19) Uani 1 1 d .
H3 H 0.6140 -0.0951 0.0885 0.052 Uiso 1 1 calc R
C14 C 1.1147(7) 0.0516(6) 0.0959(5) 0.043(2) Uani 1 1 d .
F18 F 0.9420(5) 0.1908(6) 0.5414(5) 0.084(2) Uani 1 1 d .
C15 C 0.8239(7) -0.4714(6) 0.1230(6) 0.049(2) Uani 1 1 d .
H4 H 0.8247 -0.5174 0.0796 0.059 Uiso 1 1 calc R
C16 C 0.8328(8) 0.2061(6) 0.0851(5) 0.048(2) Uani 1 1 d .
H5 H 0.8872 0.2247 0.0544 0.058 Uiso 1 1 calc R
C17 C 0.6002(8) 0.3887(7) 0.2417(6) 0.052(2) Uani 1 1 d .
C18 C 0.8262(7) -0.2919(7) 0.3636(6) 0.049(2) Uani 1 1 d .
C19 C 0.7211(7) -0.0888(7) 0.3884(5) 0.046(2) Uani 1 1 d .
F19 F 0.7847(9) -0.6148(8) 0.4891(7) 0.140(5) Uani 1 1 d .
C20 C 0.7724(7) 0.2605(6) 0.1133(5) 0.046(2) Uani 1 1 d .
H6 H 0.7756 0.3250 0.1059 0.055 Uiso 1 1 calc R
C21 C 0.7784(7) -0.1552(8) 0.3958(6) 0.052(2) Uani 1 1 d .
F20 F 0.5978(6) 0.1603(6) 0.5438(5) 0.091(2) Uani 1 1 d .
F21 F 0.9690(10) -0.6462(9) 0.4666(7) 0.154(6) Uani 1 1 d .
C22 C 0.4845(7) -0.2202(7) 0.2921(5) 0.046(2) Uani 1 1 d .
H7 H 0.4260 -0.2722 0.2820 0.055 Uiso 1 1 calc R
F22 F 0.5680(9) 0.2878(6) 0.0504(4) 0.111(3) Uani 1 1 d .
C23 C 1.0175(7) -0.1132(6) 0.0917(5) 0.0419(19) Uani 1 1 d .
C24 C 0.3773(7) 0.0611(7) 0.2121(5) 0.047(2) Uani 1 1 d .
H8 H 0.3067 0.0377 0.2103 0.057 Uiso 1 1 calc R
C25 C 0.8398(7) -0.4824(7) 0.1940(7) 0.056(3) Uani 1 1 d .
H9 H 0.8560 -0.5374 0.2087 0.067 Uiso 1 1 calc R
C26 C 0.8423(7) -0.3748(7) 0.3216(6) 0.053(2) Uani 1 1 d .
C27 C 0.8282(7) -0.3966(7) 0.2446(6) 0.053(2) Uani 1 1 d .
C28 C 0.4488(7) 0.0079(6) 0.2243(5) 0.0424(19) Uani 1 1 d .
C29 C 0.8110(7) -0.3433(6) -0.0038(6) 0.047(2) Uani 1 1 d .
C30 C 0.3138(8) -0.2327(7) 0.1584(6) 0.055(2) Uani 1 1 d .
C31 C 0.6733(7) -0.2089(6) 0.1061(5) 0.043(2) Uani 1 1 d .
H10 H 0.6154 -0.2579 0.1129 0.052 Uiso 1 1 calc R
F23 F 0.5902(9) 0.5440(6) 0.3034(5) 0.112(3) Uani 1 1 d .
C32 C 0.8335(8) 0.0567(8) 0.4646(6) 0.055(2) Uani 1 1 d .
F24 F 0.7848(6) 0.2562(5) 0.5943(4) 0.080(2) Uani 1 1 d .
C33 C 0.9349(7) 0.0177(6) 0.0871(5) 0.0391(18) Uani 1 1 d .
C34 C 1.0284(7) 0.0823(6) 0.0914(5) 0.044(2) Uani 1 1 d .
C35 C 1.1088(7) -0.0471(7) 0.0951(5) 0.046(2) Uani 1 1 d .
F25 F 0.8442(6) -0.4211(6) -0.2296(4) 0.080(2) Uani 1 1 d .
C36 C 0.5592(8) 0.5032(7) 0.1763(7) 0.060(3) Uani 1 1 d .
C37 C 0.7441(8) -0.3338(7) -0.0574(6) 0.053(2) Uani 1 1 d .
C38 C 0.7365(7) 0.0035(7) 0.4394(5) 0.048(2) Uani 1 1 d .
C39 C 0.1517(8) -0.2125(8) 0.2408(7) 0.062(3) Uani 1 1 d .
C40 C 0.6589(8) 0.0424(7) 0.4654(6) 0.052(2) Uani 1 1 d .
F26 F 0.6851(6) -0.3501(6) -0.1824(4) 0.085(2) Uani 1 1 d .
C41 C 0.8784(8) -0.4440(8) 0.3607(7) 0.062(3) Uani 1 1 d .
C42 C 0.6750(9) 0.1263(8) 0.5179(6) 0.063(3) Uani 1 1 d .
C43 C 0.9022(8) -0.4052(7) -0.1057(7) 0.057(3) Uani 1 1 d .
F27 F 1.0943(7) -0.5436(8) 0.3782(5) 0.111(3) Uani 1 1 d .
C44 C 0.8219(8) -0.1744(8) 0.4620(6) 0.055(2) Uani 1 1 d .
H11 H 0.8316 -0.1345 0.5095 0.067 Uiso 1 1 calc R
C45 C 0.5010(7) -0.1270(6) 0.2694(5) 0.0417(19) Uani 1 1 d .
C46 C 0.1422(9) -0.2870(8) 0.1821(7) 0.067(3) Uani 1 1 d .
C47 C 0.7013(7) 0.2046(6) 0.1571(5) 0.0416(19) Uani 1 1 d .
F28 F 0.2110(7) -0.3706(5) 0.0830(4) 0.090(2) Uani 1 1 d .
F29 F 0.5392(10) 0.4651(7) 0.0473(5) 0.133(4) Uani 1 1 d .
C48 C 0.8460(8) -0.2600(8) 0.4434(6) 0.061(3) Uani 1 1 d .
H12 H 0.8716 -0.2937 0.4765 0.073 Uiso 1 1 calc R
C49 C 0.7536(9) -0.3590(8) -0.1333(7) 0.064(3) Uani 1 1 d .
C50 C 0.8351(9) -0.3948(8) -0.1567(6) 0.060(3) Uani 1 1 d .
C51 C 0.9718(9) -0.4614(9) 0.3507(7) 0.068(3) Uani 1 1 d .
C52 C 0.7705(9) 0.1753(8) 0.5433(6) 0.060(3) Uani 1 1 d .
C53 C 0.5327(7) 0.1526(6) 0.2058(5) 0.0428(19) Uani 1 1 d .
C54 C 0.4304(7) 0.1523(7) 0.2034(5) 0.046(2) Uani 1 1 d .
H13 H 0.4036 0.2053 0.1970 0.056 Uiso 1 1 calc R
C55 C 0.2471(7) -0.1499(7) 0.2570(6) 0.052(2) Uani 1 1 d .
C56 C 0.8172(10) -0.4974(9) 0.4085(8) 0.073(4) Uani 1 1 d .
C57 C 0.8487(9) 0.1404(9) 0.5158(6) 0.064(3) Uani 1 1 d .
C58 C 0.7992(7) 0.1124(6) 0.1104(5) 0.044(2) Uani 1 1 d .
C59 C 0.6361(7) -0.1248(6) 0.3351(5) 0.0421(19) Uani 1 1 d .
C60 C 0.5824(9) 0.4784(8) 0.2412(7) 0.063(3) Uani 1 1 d .
C61 C 1.0028(11) -0.5304(13) 0.3873(9) 0.095(5) Uani 1 1 d .
C62 C 0.5568(10) 0.4403(9) 0.1131(7) 0.071(3) Uani 1 1 d .
C63 C 0.2213(10) -0.2981(8) 0.1409(7) 0.065(3) Uani 1 1 d .
C64 C 0.9396(14) -0.5787(13) 0.4337(10) 0.110(6) Uani 1 1 d .
C65 C 0.8469(13) -0.5647(13) 0.4438(10) 0.109(6) Uani 1 1 d .
C68 C 0.5739(10) 0.3501(8) 0.1145(6) 0.063(3) Uani 1 1 d .
Cl1 Cl 0.81311(16) -0.02876(16) 0.24937(12) 0.0442(5) Uani 1 1 d .
Cl6 Cl 0.4079(3) 0.9372(3) 0.0210(2) 0.0889(10) Uiso 1 1 d .
C77 C 0.4933(16) 1.0391(16) 0.0327(12) 0.122(6) Uiso 1 1 d .
C78 C 1.4970(18) 0.3157(18) 0.4700(14) 0.138(7) Uiso 1 1 d .
C79 C 1.4024(17) 0.1391(17) 0.4192(13) 0.131(7) Uiso 1 1 d .
C80 C 1.410(2) 0.346(2) 0.4571(15) 0.148(8) Uiso 1 1 d .
C81 C 1.357(2) 0.536(2) 0.3327(18) 0.181(11) Uiso 1 1 d .
C82 C 1.495(2) 0.220(2) 0.4063(17) 0.168(10) Uiso 1 1 d .
C84 C 1.337(2) 0.460(2) 0.3886(18) 0.180(11) Uiso 1 1 d .
Cl12 Cl 0.9699(7) 0.2222(8) 0.2657(6) 0.191(3) Uiso 1 1 d .
C88 C 1.035(2) 0.165(2) 0.3249(18) 0.178(11) Uiso 1 1 d .
Cl14 Cl 0.7765(6) -0.7734(6) 0.3536(5) 0.176(3) Uiso 1 1 d .
Cl15 Cl 0.9386(11) -0.7099(11) 0.2617(8) 0.266(6) Uiso 1 1 d .
C89 C 0.897(2) -0.798(2) 0.3314(17) 0.171(10) Uiso 1 1 d .
Cl18 Cl 1.1567(8) 0.1797(8) 0.2923(6) 0.118(3) Uiso 0.50 1 d P
Cl19 Cl 1.091(2) 0.058(2) 0.2993(15) 0.260(10) Uiso 0.50 1 d P
C90 C 1.424(2) 0.408(2) 0.3966(17) 0.170(10) Uiso 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N4 Pd1 N3 87.9(3) . .
N4 Pd1 N2 86.9(3) . .
N3 Pd1 N2 172.4(3) . .
N4 Pd1 Cl1 176.1(2) . .
N3 Pd1 Cl1 88.3(2) . .
N2 Pd1 Cl1 97.0(2) . .
N1 Pd2 N6 86.8(3) . .
N1 Pd2 C12 81.1(3) . .
N6 Pd2 C12 166.5(3) . .
N1 Pd2 Cl1 164.4(2) . .
N6 Pd2 Cl1 97.0(2) . .
C12 Pd2 Cl1 96.2(2) . .
C27 N1 C11 110.2(8) . .
C27 N1 Pd2 131.4(7) . .
C11 N1 Pd2 117.9(6) . .
C58 N2 C47 106.6(7) . .
C58 N2 Pd1 130.2(6) . .
C47 N2 Pd1 121.8(6) . .
C59 N3 C45 107.0(7) . .
C59 N3 Pd1 126.9(6) . .
C45 N3 Pd1 116.8(5) . .
C28 N4 C53 108.1(7) . .
C28 N4 Pd1 125.1(6) . .
C53 N4 Pd1 126.7(6) . .
C1 N5 C6 109.1(7) . .
C1 N5 C12 134.3(7) . .
C6 N5 C12 110.2(7) . .
C23 C1 N5 131.4(8) . .
C23 C1 C33 121.4(8) . .
N5 C1 C33 107.2(7) . .
C21 N6 C18 107.1(8) . .
C21 N6 Pd2 124.8(6) . .
C18 N6 Pd2 124.4(7) . .
C6 C2 C58 124.3(8) . .
C6 C2 C33 105.9(7) . .
C58 C2 C33 128.0(8) . .
F5 C3 C43 116.5(8) . .
F5 C3 C29 121.0(9) . .
C43 C3 C29 122.5(10) . .
C11 C4 C29 121.8(8) . .
C11 C4 C12 115.5(9) . .
C29 C4 C12 122.6(7) . .
C45 C5 C28 122.6(8) . .
C45 C5 C8 117.6(8) . .
C28 C5 C8 119.8(8) . .
N5 C6 C2 110.1(8) . .
N5 C6 C13 107.7(7) . .
C2 C6 C13 141.0(8) . .
C17 C7 C68 114.5(9) . .
C17 C7 C9 121.6(9) . .
C68 C7 C9 123.9(9) . .
C55 C8 C30 116.1(9) . .
C55 C8 C5 123.1(9) . .
C30 C8 C5 120.9(9) . .
C47 C9 C53 123.9(8) . .
C47 C9 C7 118.3(8) . .
C53 C9 C7 117.2(8) . .
C22 C10 C59 107.5(8) . .
C22 C10 H1 126.3 . .
C59 C10 H1 126.3 . .
C4 C11 N1 115.9(8) . .
C4 C11 C15 136.9(10) . .
N1 C11 C15 106.9(8) . .
N5 C12 C31 101.1(6) . .
N5 C12 C4 118.1(7) . .
C31 C12 C4 120.2(8) . .
N5 C12 Pd2 111.4(6) . .
C31 C12 Pd2 94.7(6) . .
C4 C12 Pd2 108.9(6) . .
C31 C13 C6 107.2(8) . .
C31 C13 H3 126.4 . .
C6 C13 H3 126.4 . .
F2 C14 C34 121.6(8) . .
F2 C14 C35 118.6(8) . .
C34 C14 C35 119.8(8) . .
C25 C15 C11 106.9(9) . .
C25 C15 H4 126.5 . .
C11 C15 H4 126.5 . .
C20 C16 C58 106.7(8) . .
C20 C16 H5 126.7 . .
C58 C16 H5 126.7 . .
C7 C17 F17 118.4(8) . .
C7 C17 C60 124.0(10) . .
F17 C17 C60 117.6(10) . .
C26 C18 N6 124.9(9) . .
C26 C18 C48 127.2(9) . .
N6 C18 C48 107.9(9) . .
C21 C19 C59 115.3(9) . .
C21 C19 C38 121.7(9) . .
C59 C19 C38 122.3(8) . .
C16 C20 C47 108.3(7) . .
C16 C20 H6 125.8 . .
C47 C20 H6 125.8 . .
N6 C21 C19 120.1(9) . .
N6 C21 C44 109.8(9) . .
C19 C21 C44 129.3(10) . .
C10 C22 C45 106.8(8) . .
C10 C22 H7 126.6 . .
C45 C22 H7 126.6 . .
F4 C23 C1 121.3(8) . .
F4 C23 C35 119.0(8) . .
C1 C23 C35 119.7(8) . .
C54 C24 C28 106.7(8) . .
C54 C24 H8 126.7 . .
C28 C24 H8 126.7 . .
C15 C25 C27 109.6(8) . .
C15 C25 H9 125.2 . .
C27 C25 H9 125.2 . .
C18 C26 C27 123.7(8) . .
C18 C26 C41 118.2(10) . .
C27 C26 C41 118.1(10) . .
N1 C27 C26 124.5(9) . .
N1 C27 C25 106.2(9) . .
C26 C27 C25 129.2(9) . .
N4 C28 C24 109.0(7) . .
N4 C28 C5 123.3(8) . .
C24 C28 C5 127.6(8) . .
C37 C29 C3 115.4(9) . .
C37 C29 C4 121.7(8) . .
C3 C29 C4 122.8(9) . .
F11 C30 C8 119.6(9) . .
F11 C30 C63 118.4(10) . .
C8 C30 C63 122.0(11) . .
C13 C31 C12 111.7(7) . .
C13 C31 H10 124.2 . .
C12 C31 H10 124.2 . .
F10 C32 C57 117.6(10) . .
F10 C32 C38 121.7(10) . .
C57 C32 C38 120.7(11) . .
C34 C33 C1 117.2(8) . .
C34 C33 C2 135.1(8) . .
C1 C33 C2 107.5(7) . .
F1 C34 C14 117.2(8) . .
F1 C34 C33 121.3(8) . .
C14 C34 C33 121.5(8) . .
F3 C35 C23 119.6(8) . .
F3 C35 C14 119.9(8) . .
C23 C35 C14 120.5(8) . .
C62 C36 F12 120.2(11) . .
C62 C36 C60 119.0(9) . .
F12 C36 C60 120.8(11) . .
F13 C37 C29 121.4(9) . .
F13 C37 C49 115.2(10) . .
C29 C37 C49 123.4(9) . .
C40 C38 C32 116.9(10) . .
C40 C38 C19 123.1(9) . .
C32 C38 C19 120.0(9) . .
F16 C39 C46 121.2(10) . .
F16 C39 C55 122.1(12) . .
C46 C39 C55 116.7(11) . .
F7 C40 C38 120.4(9) . .
F7 C40 C42 117.6(10) . .
C38 C40 C42 121.9(10) . .
C51 C41 C56 116.4(9) . .
C51 C41 C26 122.5(9) . .
C56 C41 C26 121.0(9) . .
F20 C42 C52 119.7(11) . .
F20 C42 C40 120.5(11) . .
C52 C42 C40 119.9(11) . .
F6 C43 C50 120.0(10) . .
F6 C43 C3 119.6(10) . .
C50 C43 C3 120.4(9) . .
C48 C44 C21 106.6(10) . .
C48 C44 H11 126.7 . .
C21 C44 H11 126.7 . .
N3 C45 C5 123.7(8) . .
N3 C45 C22 109.5(8) . .
C5 C45 C22 126.1(8) . .
F15 C46 C63 120.2(12) . .
F15 C46 C39 118.3(12) . .
C63 C46 C39 121.5(10) . .
C9 C47 N2 123.0(7) . .
C9 C47 C20 127.7(8) . .
N2 C47 C20 108.1(7) . .
C44 C48 C18 108.3(9) . .
C44 C48 H12 125.9 . .
C18 C48 H12 125.9 . .
F26 C49 C37 120.6(10) . .
F26 C49 C50 121.2(10) . .
C37 C49 C50 118.2(11) . .
F25 C50 C43 121.0(10) . .
F25 C50 C49 118.9(11) . .
C43 C50 C49 120.1(10) . .
F14 C51 C41 120.8(9) . .
F14 C51 C61 118.1(10) . .
C41 C51 C61 121.1(10) . .
F24 C52 C57 121.7(11) . .
F24 C52 C42 119.2(12) . .
C57 C52 C42 119.1(10) . .
N4 C53 C54 108.9(8) . .
N4 C53 C9 123.6(8) . .
C54 C53 C9 126.6(8) . .
C24 C54 C53 107.1(8) . .
C24 C54 H13 126.5 . .
C53 C54 H13 126.5 . .
C8 C55 F8 120.0(9) . .
C8 C55 C39 124.3(11) . .
F8 C55 C39 115.7(10) . .
F9 C56 C65 118.3(10) . .
F9 C56 C41 119.1(9) . .
C65 C56 C41 122.6(11) . .
F18 C57 C52 117.6(11) . .
F18 C57 C32 120.9(12) . .
C52 C57 C32 121.4(10) . .
N2 C58 C2 121.8(8) . .
N2 C58 C16 110.1(8) . .
C2 C58 C16 128.0(8) . .
N3 C59 C10 109.1(8) . .
N3 C59 C19 126.7(8) . .
C10 C59 C19 122.7(8) . .
F23 C60 C36 118.5(9) . .
F23 C60 C17 121.9(11) . .
C36 C60 C17 119.6(11) . .
F27 C61 C64 121.1(11) . .
F27 C61 C51 119.7(11) . .
C64 C61 C51 119.1(11) . .
F29 C62 C36 120.3(10) . .
F29 C62 C68 119.0(12) . .
C36 C62 C68 120.7(10) . .
F28 C63 C46 121.0(11) . .
F28 C63 C30 119.5(12) . .
C46 C63 C30 119.5(11) . .
C65 C64 F21 120.0(13) . .
C65 C64 C61 121.3(11) . .
F21 C64 C61 118.5(13) . .
F19 C65 C64 120.3(12) . .
F19 C65 C56 120.3(13) . .
C64 C65 C56 119.4(12) . .
F22 C68 C62 119.3(10) . .
F22 C68 C7 118.6(9) . .
C62 C68 C7 122.2(11) . .
Pd1 Cl1 Pd2 114.19(10) . .
C77 Cl6 C77 55.9(12) . 2_675
C77 C77 Cl6 64.0(14) 2_675 .
C77 C77 Cl6 60.0(14) 2_675 2_675
Cl6 C77 Cl6 124.1(12) . 2_675
C80 C78 C82 107(2) . .
C78 C80 C90 111(2) . .
C79 C82 C78 107(2) . .
C90 C84 C81 115(3) . .
Cl15 Cl12 C89 87.4(15) 1_565 1_565
Cl15 Cl12 C88 145.3(16) 1_565 .
C89 Cl12 C88 75.8(16) 1_565 .
Cl18 C88 Cl12 105.9(18) . .
Cl18 C88 Cl19 58.3(13) . .
Cl12 C88 Cl19 129(2) . .
Cl12 Cl15 C89 55.1(12) 1_545 .
Cl12 C89 Cl14 133(2) 1_545 .
Cl12 C89 Cl15 37.5(9) 1_545 .
Cl14 C89 Cl15 99.2(16) . .
C88 Cl18 Cl19 64.2(13) . .
Cl18 Cl19 C88 57.5(13) . .
C80 C90 C84 114(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 N4 1.984(8) .
Pd1 N3 2.031(7) .
Pd1 N2 2.046(7) .
Pd1 Cl1 2.372(2) .
Pd2 N1 1.952(7) .
Pd2 N6 2.080(8) .
Pd2 C12 2.106(9) .
Pd2 Cl1 2.439(3) .
F1 C34 1.354(10) .
N1 C27 1.351(12) .
N1 C11 1.410(13) .
F2 C14 1.338(10) .
N2 C58 1.339(12) .
N2 C47 1.414(11) .
F3 C35 1.355(10) .
N3 C59 1.361(11) .
N3 C45 1.382(12) .
N4 C28 1.349(11) .
N4 C53 1.364(11) .
F4 C23 1.348(10) .
N5 C1 1.388(11) .
N5 C6 1.390(11) .
N5 C12 1.454(10) .
C1 C23 1.371(13) .
C1 C33 1.434(11) .
N6 C21 1.379(14) .
N6 C18 1.383(11) .
F5 C3 1.335(12) .
F6 C43 1.334(11) .
F7 C40 1.334(12) .
F8 C55 1.377(12) .
F9 C56 1.343(13) .
F10 C32 1.326(13) .
F11 C30 1.332(13) .
F12 C36 1.347(11) .
F13 C37 1.344(11) .
C2 C6 1.395(12) .
C2 C58 1.424(13) .
C2 C33 1.448(13) .
C3 C43 1.376(15) .
C3 C29 1.397(13) .
C4 C11 1.365(13) .
C4 C29 1.476(14) .
C4 C12 1.512(12) .
C5 C45 1.395(13) .
C5 C28 1.437(12) .
C5 C8 1.486(13) .
C6 C13 1.434(13) .
C7 C17 1.361(14) .
C7 C68 1.380(14) .
C7 C9 1.489(12) .
F14 C51 1.316(12) .
C8 C55 1.364(15) .
C8 C30 1.377(15) .
F15 C46 1.343(12) .
C9 C47 1.392(12) .
C9 C53 1.421(12) .
F16 C39 1.333(14) .
C10 C22 1.358(14) .
C10 C59 1.444(12) .
C10 H1 0.9500 .
C11 C15 1.446(12) .
F17 C17 1.361(12) .
C12 C31 1.482(12) .
C13 C31 1.361(12) .
C13 H3 0.9500 .
C14 C34 1.380(13) .
C14 C35 1.401(13) .
F18 C57 1.353(13) .
C15 C25 1.353(16) .
C15 H4 0.9500 .
C16 C20 1.335(13) .
C16 C58 1.463(12) .
C16 H5 0.9500 .
C17 C60 1.375(13) .
C18 C26 1.381(15) .
C18 C48 1.460(16) .
C19 C21 1.406(13) .
C19 C59 1.457(14) .
C19 C38 1.464(14) .
F19 C65 1.354(15) .
C20 C47 1.439(12) .
C20 H6 0.9500 .
C21 C44 1.442(14) .
F20 C42 1.341(13) .
F21 C64 1.359(13) .
C22 C45 1.431(12) .
C22 H7 0.9500 .
F22 C68 1.345(14) .
C23 C35 1.374(13) .
C24 C54 1.369(13) .
C24 C28 1.429(13) .
C24 H8 0.9500 .
C25 C27 1.464(15) .
C25 H9 0.9500 .
C26 C27 1.391(16) .
C26 C41 1.490(12) .
C29 C37 1.388(15) .
C30 C63 1.388(16) .
C31 H10 0.9500 .
F23 C60 1.343(14) .
C32 C57 1.373(17) .
C32 C38 1.403(14) .
F24 C52 1.343(13) .
C33 C34 1.386(13) .
F25 C50 1.340(13) .
C36 C62 1.345(18) .
C36 C60 1.348(17) .
C37 C49 1.391(16) .
C38 C40 1.382(15) .
C39 C46 1.372(18) .
C39 C55 1.400(14) .
C40 C42 1.387(15) .
F26 C49 1.342(14) .
C41 C51 1.385(15) .
C41 C56 1.403(15) .
C42 C52 1.373(16) .
C43 C50 1.361(16) .
F27 C61 1.333(15) .
C44 C48 1.349(16) .
C44 H11 0.9500 .
C46 C63 1.360(19) .
F28 C63 1.342(14) .
F29 C62 1.343(13) .
C48 H12 0.9500 .
C49 C50 1.395(16) .
C51 C61 1.426(15) .
C52 C57 1.368(18) .
C53 C54 1.415(13) .
C54 H13 0.9500 .
C56 C65 1.383(17) .
C61 C64 1.364(19) .
C62 C68 1.379(15) .
C64 C65 1.36(2) .
Cl6 C77 1.62(2) .
Cl6 C77 1.68(2) 2_675
C77 C77 1.55(4) 2_675
C77 Cl6 1.68(2) 2_675
C78 C80 1.42(3) .
C78 C82 1.65(4) .
C79 C82 1.55(3) .
C80 C90 1.50(4) .
C81 C84 1.59(4) .
C84 C90 1.58(4) .
Cl12 Cl15 1.175(15) 1_565
Cl12 C89 1.59(3) 1_565
Cl12 C88 1.81(3) .
C88 Cl18 1.77(3) .
C88 Cl19 1.89(4) .
Cl14 C89 1.83(3) .
Cl15 Cl12 1.175(15) 1_545
Cl15 C89 1.93(3) .
C89 Cl12 1.59(3) 1_545
Cl18 Cl19 1.79(3) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
N6 Pd2 N1 C27 -12.7(8) . .
C12 Pd2 N1 C27 173.4(9) . .
Cl1 Pd2 N1 C27 92.1(11) . .
N6 Pd2 N1 C11 175.7(7) . .
C12 Pd2 N1 C11 1.7(6) . .
Cl1 Pd2 N1 C11 -79.6(12) . .
N4 Pd1 N2 C58 -157.1(9) . .
N3 Pd1 N2 C58 -110(2) . .
Cl1 Pd1 N2 C58 23.8(8) . .
N4 Pd1 N2 C47 38.4(7) . .
N3 Pd1 N2 C47 86(2) . .
Cl1 Pd1 N2 C47 -140.8(7) . .
N4 Pd1 N3 C59 -171.3(8) . .
N2 Pd1 N3 C59 141(2) . .
Cl1 Pd1 N3 C59 7.5(7) . .
N4 Pd1 N3 C45 46.6(6) . .
N2 Pd1 N3 C45 -1(3) . .
Cl1 Pd1 N3 C45 -134.6(6) . .
N3 Pd1 N4 C28 -28.5(8) . .
N2 Pd1 N4 C28 145.9(8) . .
Cl1 Pd1 N4 C28 -46(4) . .
N3 Pd1 N4 C53 155.1(8) . .
N2 Pd1 N4 C53 -30.5(8) . .
Cl1 Pd1 N4 C53 137(3) . .
C6 N5 C1 C23 176.6(10) . .
C12 N5 C1 C23 28.7(17) . .
C6 N5 C1 C33 -3.1(10) . .
C12 N5 C1 C33 -151.0(9) . .
N1 Pd2 N6 C21 177.4(8) . .
C12 Pd2 N6 C21 -156.1(12) . .
Cl1 Pd2 N6 C21 12.6(8) . .
N1 Pd2 N6 C18 21.9(8) . .
C12 Pd2 N6 C18 48.4(17) . .
Cl1 Pd2 N6 C18 -142.9(7) . .
C1 N5 C6 C2 0.1(10) . .
C12 N5 C6 C2 156.2(8) . .
C1 N5 C6 C13 -170.6(7) . .
C12 N5 C6 C13 -14.4(10) . .
C58 C2 C6 N5 -162.7(8) . .
C33 C2 C6 N5 2.9(10) . .
C58 C2 C6 C13 3.1(19) . .
C33 C2 C6 C13 168.6(11) . .
C45 C5 C8 C55 106.3(11) . .
C28 C5 C8 C55 -71.1(12) . .
C45 C5 C8 C30 -73.2(12) . .
C28 C5 C8 C30 109.3(11) . .
C17 C7 C9 C47 -108.6(11) . .
C68 C7 C9 C47 71.4(13) . .
C17 C7 C9 C53 79.7(12) . .
C68 C7 C9 C53 -100.3(12) . .
C29 C4 C11 N1 171.6(8) . .
C12 C4 C11 N1 -7.5(12) . .
C29 C4 C11 C15 -1.2(17) . .
C12 C4 C11 C15 179.7(10) . .
C27 N1 C11 C4 -170.6(8) . .
Pd2 N1 C11 C4 2.7(11) . .
C27 N1 C11 C15 4.3(10) . .
Pd2 N1 C11 C15 177.6(6) . .
C1 N5 C12 C31 161.8(9) . .
C6 N5 C12 C31 14.1(9) . .
C1 N5 C12 C4 -64.9(13) . .
C6 N5 C12 C4 147.4(8) . .
C1 N5 C12 Pd2 62.2(11) . .
C6 N5 C12 Pd2 -85.5(7) . .
C11 C4 C12 N5 136.6(9) . .
C29 C4 C12 N5 -42.5(12) . .
C11 C4 C12 C31 -99.0(10) . .
C29 C4 C12 C31 81.9(11) . .
C11 C4 C12 Pd2 8.3(9) . .
C29 C4 C12 Pd2 -170.8(7) . .
N1 Pd2 C12 N5 -137.2(6) . .
N6 Pd2 C12 N5 -164.0(11) . .
Cl1 Pd2 C12 N5 27.3(6) . .
N1 Pd2 C12 C31 118.9(5) . .
N6 Pd2 C12 C31 92.1(14) . .
Cl1 Pd2 C12 C31 -76.6(5) . .
N1 Pd2 C12 C4 -5.2(6) . .
N6 Pd2 C12 C4 -32.0(16) . .
Cl1 Pd2 C12 C4 159.3(5) . .
N5 C6 C13 C31 8.2(10) . .
C2 C6 C13 C31 -157.7(12) . .
C4 C11 C15 C25 169.4(11) . .
N1 C11 C15 C25 -3.9(10) . .
C68 C7 C17 F17 -176.0(10) . .
C9 C7 C17 F17 4.0(15) . .
C68 C7 C17 C60 1.6(16) . .
C9 C7 C17 C60 -178.5(10) . .
C21 N6 C18 C26 177.8(9) . .
Pd2 N6 C18 C26 -23.1(13) . .
C21 N6 C18 C48 -1.0(10) . .
Pd2 N6 C18 C48 158.1(7) . .
C58 C16 C20 C47 0.7(11) . .
C18 N6 C21 C19 -166.7(9) . .
Pd2 N6 C21 C19 34.2(12) . .
C18 N6 C21 C44 4.1(11) . .
Pd2 N6 C21 C44 -155.0(7) . .
C59 C19 C21 N6 29.9(12) . .
C38 C19 C21 N6 -159.6(8) . .
C59 C19 C21 C44 -138.9(10) . .
C38 C19 C21 C44 31.6(15) . .
C59 C10 C22 C45 2.3(10) . .
N5 C1 C23 F4 1.4(16) . .
C33 C1 C23 F4 -178.9(8) . .
N5 C1 C23 C35 179.7(9) . .
C33 C1 C23 C35 -0.6(14) . .
C11 C15 C25 C27 2.3(10) . .
N6 C18 C26 C27 6.3(16) . .
C48 C18 C26 C27 -175.1(10) . .
N6 C18 C26 C41 -174.7(9) . .
C48 C18 C26 C41 3.9(15) . .
C11 N1 C27 C26 174.3(9) . .
Pd2 N1 C27 C26 2.2(14) . .
C11 N1 C27 C25 -2.9(10) . .
Pd2 N1 C27 C25 -175.0(6) . .
C18 C26 C27 N1 5.4(16) . .
C41 C26 C27 N1 -173.6(9) . .
C18 C26 C27 C25 -178.1(9) . .
C41 C26 C27 C25 2.9(15) . .
C15 C25 C27 N1 0.3(10) . .
C15 C25 C27 C26 -176.7(10) . .
C53 N4 C28 C24 -0.9(10) . .
Pd1 N4 C28 C24 -177.8(6) . .
C53 N4 C28 C5 177.9(9) . .
Pd1 N4 C28 C5 1.0(13) . .
C54 C24 C28 N4 -1.7(11) . .
C54 C24 C28 C5 179.6(9) . .
C45 C5 C28 N4 21.1(14) . .
C8 C5 C28 N4 -161.6(9) . .
C45 C5 C28 C24 -160.4(10) . .
C8 C5 C28 C24 16.9(15) . .
F5 C3 C29 C37 179.1(8) . .
C43 C3 C29 C37 0.3(13) . .
F5 C3 C29 C4 -1.2(13) . .
C43 C3 C29 C4 180.0(8) . .
C11 C4 C29 C37 132.5(10) . .
C12 C4 C29 C37 -48.5(12) . .
C11 C4 C29 C3 -47.1(13) . .
C12 C4 C29 C3 131.9(9) . .
C55 C8 C30 F11 -178.2(8) . .
C5 C8 C30 F11 1.4(14) . .
C55 C8 C30 C63 -1.8(14) . .
C5 C8 C30 C63 177.8(9) . .
C6 C13 C31 C12 0.9(11) . .
N5 C12 C31 C13 -9.0(10) . .
C4 C12 C31 C13 -141.1(9) . .
Pd2 C12 C31 C13 103.9(8) . .
C23 C1 C33 C34 -0.1(13) . .
N5 C1 C33 C34 179.7(8) . .
C23 C1 C33 C2 -174.9(8) . .
N5 C1 C33 C2 4.8(10) . .
C6 C2 C33 C34 -178.2(10) . .
C58 C2 C33 C34 -13.4(16) . .
C6 C2 C33 C1 -4.7(10) . .
C58 C2 C33 C1 160.1(9) . .
F2 C14 C34 F1 -1.0(13) . .
C35 C14 C34 F1 -179.3(8) . .
F2 C14 C34 C33 179.1(8) . .
C35 C14 C34 C33 0.9(14) . .
C1 C33 C34 F1 -179.9(8) . .
C2 C33 C34 F1 -6.8(16) . .
C1 C33 C34 C14 -0.1(13) . .
C2 C33 C34 C14 173.0(9) . .
F4 C23 C35 F3 -0.1(13) . .
C1 C23 C35 F3 -178.5(8) . .
F4 C23 C35 C14 179.8(8) . .
C1 C23 C35 C14 1.4(14) . .
F2 C14 C35 F3 0.0(13) . .
C34 C14 C35 F3 178.3(8) . .
F2 C14 C35 C23 -179.9(8) . .
C34 C14 C35 C23 -1.6(14) . .
C3 C29 C37 F13 179.1(8) . .
C4 C29 C37 F13 -0.5(14) . .
C3 C29 C37 C49 0.1(14) . .
C4 C29 C37 C49 -179.5(9) . .
F10 C32 C38 C40 -176.6(8) . .
C57 C32 C38 C40 3.5(13) . .
F10 C32 C38 C19 3.8(13) . .
C57 C32 C38 C19 -176.1(9) . .
C21 C19 C38 C40 -140.7(10) . .
C59 C19 C38 C40 29.2(13) . .
C21 C19 C38 C32 38.9(12) . .
C59 C19 C38 C32 -151.3(8) . .
C32 C38 C40 F7 -179.9(8) . .
C19 C38 C40 F7 -0.4(14) . .
C32 C38 C40 C42 -4.5(14) . .
C19 C38 C40 C42 175.1(9) . .
C18 C26 C41 C51 -114.2(14) . .
C27 C26 C41 C51 64.9(17) . .
C18 C26 C41 C56 67.7(16) . .
C27 C26 C41 C56 -113.3(14) . .
F7 C40 C42 F20 -2.1(16) . .
C38 C40 C42 F20 -177.7(10) . .
F7 C40 C42 C52 178.2(9) . .
C38 C40 C42 C52 2.7(16) . .
F5 C3 C43 F6 -1.2(13) . .
C29 C3 C43 F6 177.6(8) . .
F5 C3 C43 C50 -179.1(9) . .
C29 C3 C43 C50 -0.3(15) . .
N6 C21 C44 C48 -5.7(12) . .
C19 C21 C44 C48 164.0(10) . .
C59 N3 C45 C5 168.9(9) . .
Pd1 N3 C45 C5 -42.0(11) . .
C59 N3 C45 C22 -1.9(10) . .
Pd1 N3 C45 C22 147.2(6) . .
C28 C5 C45 N3 2.5(14) . .
C8 C5 C45 N3 -174.8(8) . .
C28 C5 C45 C22 171.8(9) . .
C8 C5 C45 C22 -5.6(14) . .
C10 C22 C45 N3 -0.3(11) . .
C10 C22 C45 C5 -170.8(9) . .
F16 C39 C46 F15 0.1(15) . .
C55 C39 C46 F15 179.4(8) . .
F16 C39 C46 C63 179.3(10) . .
C55 C39 C46 C63 -1.4(15) . .
C53 C9 C47 N2 -6.6(15) . .
C7 C9 C47 N2 -177.7(8) . .
C53 C9 C47 C20 159.3(10) . .
C7 C9 C47 C20 -11.7(15) . .
C58 N2 C47 C9 164.6(9) . .
Pd1 N2 C47 C9 -27.7(12) . .
C58 N2 C47 C20 -3.7(10) . .
Pd1 N2 C47 C20 164.0(6) . .
C16 C20 C47 C9 -165.8(10) . .
C16 C20 C47 N2 1.8(11) . .
C21 C44 C48 C18 4.9(12) . .
C26 C18 C48 C44 178.7(10) . .
N6 C18 C48 C44 -2.6(12) . .
F13 C37 C49 F26 -0.6(15) . .
C29 C37 C49 F26 178.5(9) . .
F13 C37 C49 C50 -179.6(9) . .
C29 C37 C49 C50 -0.6(16) . .
F6 C43 C50 F25 3.8(16) . .
C3 C43 C50 F25 -178.3(9) . .
F6 C43 C50 C49 -178.1(9) . .
C3 C43 C50 C49 -0.2(16) . .
F26 C49 C50 F25 -0.3(17) . .
C37 C49 C50 F25 178.7(10) . .
F26 C49 C50 C43 -178.4(10) . .
C37 C49 C50 C43 0.6(16) . .
C56 C41 C51 F14 -179.8(13) . .
C26 C41 C51 F14 2(2) . .
C56 C41 C51 C61 0(2) . .
C26 C41 C51 C61 -178.1(14) . .
F20 C42 C52 F24 0.6(16) . .
C40 C42 C52 F24 -179.8(9) . .
F20 C42 C52 C57 -179.3(10) . .
C40 C42 C52 C57 0.3(16) . .
C28 N4 C53 C54 3.1(10) . .
Pd1 N4 C53 C54 179.9(6) . .
C28 N4 C53 C9 -167.2(9) . .
Pd1 N4 C53 C9 9.6(13) . .
C47 C9 C53 N4 17.2(15) . .
C7 C9 C53 N4 -171.6(9) . .
C47 C9 C53 C54 -151.3(10) . .
C7 C9 C53 C54 19.8(14) . .
C28 C24 C54 C53 3.5(11) . .
N4 C53 C54 C24 -4.1(11) . .
C9 C53 C54 C24 165.8(9) . .
C30 C8 C55 F8 179.9(8) . .
C5 C8 C55 F8 0.4(13) . .
C30 C8 C55 C39 0.3(14) . .
C5 C8 C55 C39 -179.2(9) . .
F16 C39 C55 C8 -179.5(9) . .
C46 C39 C55 C8 1.3(15) . .
F16 C39 C55 F8 0.9(14) . .
C46 C39 C55 F8 -178.4(8) . .
C51 C41 C56 F9 178.5(13) . .
C26 C41 C56 F9 -3(2) . .
C51 C41 C56 C65 -1(2) . .
C26 C41 C56 C65 177.7(16) . .
F24 C52 C57 F18 -0.5(15) . .
C42 C52 C57 F18 179.4(9) . .
F24 C52 C57 C32 178.8(9) . .
C42 C52 C57 C32 -1.3(16) . .
F10 C32 C57 F18 -1.3(14) . .
C38 C32 C57 F18 178.6(8) . .
F10 C32 C57 C52 179.4(9) . .
C38 C32 C57 C52 -0.7(15) . .
C47 N2 C58 C2 -172.1(9) . .
Pd1 N2 C58 C2 21.6(14) . .
C47 N2 C58 C16 4.2(11) . .
Pd1 N2 C58 C16 -162.1(7) . .
C6 C2 C58 N2 28.2(15) . .
C33 C2 C58 N2 -134.1(10) . .
C6 C2 C58 C16 -147.4(10) . .
C33 C2 C58 C16 50.4(15) . .
C20 C16 C58 N2 -3.2(12) . .
C20 C16 C58 C2 172.8(10) . .
C45 N3 C59 C10 3.3(10) . .
Pd1 N3 C59 C10 -141.7(7) . .
C45 N3 C59 C19 -162.6(8) . .
Pd1 N3 C59 C19 52.4(12) . .
C22 C10 C59 N3 -3.5(10) . .
C22 C10 C59 C19 163.0(9) . .
C21 C19 C59 N3 -151.0(9) . .
C38 C19 C59 N3 38.5(13) . .
C21 C19 C59 C10 44.9(12) . .
C38 C19 C59 C10 -125.5(9) . .
C62 C36 C60 F23 176.2(12) . .
F12 C36 C60 F23 -1.7(17) . .
C62 C36 C60 C17 -1.9(18) . .
F12 C36 C60 C17 -179.7(10) . .
C7 C17 C60 F23 -178.2(11) . .
F17 C17 C60 F23 -0.7(17) . .
C7 C17 C60 C36 -0.2(17) . .
F17 C17 C60 C36 177.3(11) . .
F14 C51 C61 F27 2(2) . .
C41 C51 C61 F27 -178.1(15) . .
F14 C51 C61 C64 179.0(17) . .
C41 C51 C61 C64 -1(3) . .
F12 C36 C62 F29 1.4(19) . .
C60 C36 C62 F29 -176.4(13) . .
F12 C36 C62 C68 -179.6(11) . .
C60 C36 C62 C68 2.5(19) . .
F15 C46 C63 F28 0.1(15) . .
C39 C46 C63 F28 -179.1(9) . .
F15 C46 C63 C30 179.2(9) . .
C39 C46 C63 C30 0.0(16) . .
F11 C30 C63 F28 -2.8(15) . .
C8 C30 C63 F28 -179.2(9) . .
F11 C30 C63 C46 178.1(9) . .
C8 C30 C63 C46 1.7(16) . .
F27 C61 C64 C65 179(2) . .
C51 C61 C64 C65 2(3) . .
F27 C61 C64 F21 -5(3) . .
C51 C61 C64 F21 178.2(17) . .
F21 C64 C65 F19 3(3) . .
C61 C64 C65 F19 179(2) . .
F21 C64 C65 C56 -178.4(18) . .
C61 C64 C65 C56 -2(3) . .
F9 C56 C65 F19 1(3) . .
C41 C56 C65 F19 -179.6(16) . .
F9 C56 C65 C64 -177.3(18) . .
C41 C56 C65 C64 2(3) . .
F29 C62 C68 F22 -3(2) . .
C36 C62 C68 F22 178.0(12) . .
F29 C62 C68 C7 177.8(12) . .
C36 C62 C68 C7 -1(2) . .
C17 C7 C68 F22 180.0(11) . .
C9 C7 C68 F22 0.0(17) . .
C17 C7 C68 C62 -0.9(17) . .
C9 C7 C68 C62 179.1(11) . .
N4 Pd1 Cl1 Pd2 68(3) . .
N3 Pd1 Cl1 Pd2 50.0(2) . .
N2 Pd1 Cl1 Pd2 -124.4(2) . .
N1 Pd2 Cl1 Pd1 153.7(9) . .
N6 Pd2 Cl1 Pd1 -102.9(2) . .
C12 Pd2 Cl1 Pd1 74.5(2) . .
C77 Cl6 C77 Cl6 0.000(2) 2_675 2_675
C82 C78 C80 C90 -82(3) . .
C80 C78 C82 C79 -64(3) . .
Cl15 Cl12 C88 Cl18 -106(3) 1_565 .
C89 Cl12 C88 Cl18 -169(2) 1_565 .
Cl15 Cl12 C88 Cl19 -168(2) 1_565 .
C89 Cl12 C88 Cl19 129(3) 1_565 .
Cl12 Cl15 C89 Cl14 -159.0(19) 1_545 .
Cl12 C88 Cl18 Cl19 -127(2) . .
Cl12 C88 Cl19 Cl18 85(2) . .
C78 C80 C90 C84 -170(2) . .
C81 C84 C90 C80 172(2) . .
