#------------------------------------------------------------------------------
#$Date: 2016-01-21 05:38:40 +0200 (Thu, 21 Jan 2016) $
#$Revision: 174647 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/85/7118523.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7118523
loop_
_publ_author_name
'Gazvoda, Martin'
'Virant, Miha'
'Pevec, Andrej'
'Urankar, Damijana'
'Bolje, Aljoša'
'Kočevar, Marijan'
'Košmrlj, Janez'
_publ_section_title
;
 A mesoionic bis(Py-tzNHC) palladium(ii) complex catalyses
 "green" Sonogashira reaction through an unprecedented
 mechanism.
;
_journal_issue                   8
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              1571
_journal_page_last               1574
_journal_paper_doi               10.1039/c5cc08717a
_journal_volume                  52
_journal_year                    2016
_chemical_formula_sum            'C69 H75 F24 N16 O2 P4 Pd2'
_chemical_formula_weight         1953.13
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-06-05 deposited with the CCDC.
2015-11-04 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 92.257(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.8294(4)
_cell_length_b                   31.0399(8)
_cell_length_c                   16.1007(4)
_cell_measurement_reflns_used    12153
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.9690
_cell_measurement_theta_min      2.8600
_cell_volume                     7904.8(3)
_computing_cell_refinement       'CrysAlis PRO (Agilent, 2011)'
_computing_data_collection       'CrysAlis PRO (Agilent, 2011)'
_computing_data_reduction        'CrysAlis PRO (Agilent, 2011)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  Mirror
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0750
_diffrn_reflns_av_sigmaI/netI    0.0847
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            66462
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.89
_exptl_absorpt_coefficient_mu    0.648
_exptl_absorpt_correction_T_max  0.9808
_exptl_absorpt_correction_T_min  0.8813
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrysAlis PRO; Agilent, 2011)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.641
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3940
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.330
_refine_diff_density_min         -0.620
_refine_diff_density_rms         0.111
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1051
_refine_ls_number_reflns         18107
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.1094
_refine_ls_R_factor_gt           0.0583
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.0001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0324P)²+18.9029P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1093
_refine_ls_wR_factor_ref         0.1277
_reflns_number_gt                11243
_reflns_number_total             18107
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c5cc08717a2.cif
_cod_data_source_block           1'(4PF6)
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               7118523
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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 0.613344(19) 0.180176(11) 0.35895(2) 0.01482(9) Uani 1 1 d .
Pd2 Pd 0.751186(19) 0.180450(11) 0.23421(2) 0.01457(8) Uani 1 1 d .
N1 N 0.7118(2) 0.15573(12) 0.4418(2) 0.0185(8) Uani 1 1 d .
N2 N 0.8085(2) 0.06291(13) 0.3450(3) 0.0263(10) Uani 1 1 d .
N3 N 0.8182(3) 0.05205(13) 0.2674(3) 0.0283(10) Uani 1 1 d .
N4 N 0.8026(2) 0.08820(12) 0.2247(3) 0.0214(9) Uani 1 1 d .
N5 N 0.6544(2) 0.15780(12) 0.1489(2) 0.0185(8) Uani 1 1 d .
N6 N 0.5540(2) 0.06505(13) 0.2388(3) 0.0242(9) Uani 1 1 d .
N7 N 0.5448(3) 0.05204(13) 0.3157(3) 0.0275(10) Uani 1 1 d .
N8 N 0.5626(2) 0.08733(12) 0.3611(3) 0.0219(9) Uani 1 1 d .
N9 N 0.6362(2) 0.24633(12) 0.3892(2) 0.0160(8) Uani 1 1 d .
N10 N 0.4273(2) 0.26373(12) 0.2940(2) 0.0181(8) Uani 1 1 d .
N11 N 0.3794(2) 0.23103(12) 0.2703(2) 0.0196(8) Uani 1 1 d .
N12 N 0.4293(2) 0.19635(12) 0.2815(2) 0.0174(8) Uani 1 1 d .
N13 N 0.7246(2) 0.24621(11) 0.2102(2) 0.0156(8) Uani 1 1 d .
N14 N 0.9335(2) 0.26471(12) 0.3025(2) 0.0182(8) Uani 1 1 d .
N15 N 0.9840(2) 0.23213(12) 0.3231(2) 0.0202(9) Uani 1 1 d .
N16 N 0.9353(2) 0.19709(12) 0.3113(2) 0.0171(8) Uani 1 1 d .
C1 C 0.7744(3) 0.12578(15) 0.4345(3) 0.0204(10) Uani 1 1 d .
C2 C 0.8257(3) 0.11440(17) 0.5028(3) 0.0285(12) Uani 1 1 d .
H2 H 0.8713 0.0949 0.4964 0.034 Uiso 1 1 calc R
C3 C 0.8106(3) 0.13134(17) 0.5804(3) 0.0323(13) Uani 1 1 d .
H3 H 0.8449 0.1232 0.6275 0.039 Uiso 1 1 calc R
C4 C 0.7459(3) 0.15996(17) 0.5882(3) 0.0296(12) Uani 1 1 d .
H4 H 0.7337 0.1716 0.6410 0.036 Uiso 1 1 calc R
C5 C 0.6989(3) 0.17157(15) 0.5182(3) 0.0234(11) Uani 1 1 d .
H5 H 0.6547 0.1919 0.5239 0.028 Uiso 1 1 calc R
C6 C 0.7867(3) 0.10574(15) 0.3538(3) 0.0188(10) Uani 1 1 d .
C7 C 0.7826(3) 0.12235(14) 0.2729(3) 0.0164(9) Uani 1 1 d .
C8 C 0.8221(4) 0.02870(17) 0.4072(4) 0.0400(14) Uani 1 1 d .
H8A H 0.8161 0.0005 0.3801 0.060 Uiso 1 1 calc R
H8B H 0.7803 0.0314 0.4501 0.060 Uiso 1 1 calc R
H8C H 0.8791 0.0314 0.4327 0.060 Uiso 1 1 calc R
C9 C 0.8068(3) 0.08639(15) 0.1363(3) 0.0234(11) Uani 1 1 d .
C10 C 0.7764(3) 0.05019(17) 0.0943(4) 0.0383(14) Uani 1 1 d .
H10 H 0.7544 0.0266 0.1243 0.046 Uiso 1 1 calc R
C11 C 0.7783(4) 0.04866(19) 0.0092(4) 0.0493(17) Uani 1 1 d .
H11 H 0.7569 0.0239 -0.0193 0.059 Uiso 1 1 calc R
C12 C 0.8108(4) 0.08259(19) -0.0359(4) 0.0429(15) Uani 1 1 d .
C13 C 0.8428(3) 0.11784(16) 0.0076(3) 0.0314(12) Uani 1 1 d .
H13 H 0.8660 0.1411 -0.0222 0.038 Uiso 1 1 calc R
C14 C 0.8417(3) 0.12009(16) 0.0931(3) 0.0243(11) Uani 1 1 d .
H14 H 0.8646 0.1444 0.1218 0.029 Uiso 1 1 calc R
C15 C 0.8108(5) 0.0814(2) -0.1305(4) 0.072(2) Uani 1 1 d .
H15A H 0.7820 0.1071 -0.1530 0.108 Uiso 1 1 calc R
H15B H 0.7811 0.0555 -0.1507 0.108 Uiso 1 1 calc R
H15C H 0.8692 0.0809 -0.1485 0.108 Uiso 1 1 calc R
C16 C 0.5907(3) 0.12895(14) 0.1541(3) 0.0182(10) Uani 1 1 d .
C17 C 0.5397(3) 0.11903(15) 0.0843(3) 0.0246(11) Uani 1 1 d .
H17 H 0.4927 0.1003 0.0897 0.030 Uiso 1 1 calc R
C18 C 0.5562(3) 0.13593(16) 0.0077(3) 0.0276(11) Uani 1 1 d .
H18 H 0.5223 0.1284 -0.0401 0.033 Uiso 1 1 calc R
C19 C 0.6232(3) 0.16400(15) 0.0020(3) 0.0252(11) Uani 1 1 d .
H19 H 0.6374 0.1758 -0.0501 0.030 Uiso 1 1 calc R
C20 C 0.6691(3) 0.17457(15) 0.0739(3) 0.0223(10) Uani 1 1 d .
H20 H 0.7137 0.1949 0.0700 0.027 Uiso 1 1 calc R
C21 C 0.5772(3) 0.10776(14) 0.2343(3) 0.0205(10) Uani 1 1 d .
C22 C 0.5830(3) 0.12286(15) 0.3154(3) 0.0198(10) Uani 1 1 d .
C23 C 0.5380(4) 0.03257(17) 0.1730(4) 0.0396(14) Uani 1 1 d .
H23A H 0.5444 0.0036 0.1968 0.059 Uiso 1 1 calc R
H23B H 0.5786 0.0364 0.1292 0.059 Uiso 1 1 calc R
H23C H 0.4804 0.0361 0.1493 0.059 Uiso 1 1 calc R
C24 C 0.5602(3) 0.08313(15) 0.4501(3) 0.0247(11) Uani 1 1 d .
C25 C 0.5887(3) 0.04515(17) 0.4863(4) 0.0341(13) Uani 1 1 d .
H25 H 0.6069 0.0219 0.4531 0.041 Uiso 1 1 calc R
C26 C 0.5901(3) 0.04185(19) 0.5724(4) 0.0400(14) Uani 1 1 d .
H26 H 0.6095 0.0158 0.5978 0.048 Uiso 1 1 calc R
C27 C 0.5642(3) 0.07522(19) 0.6224(3) 0.0370(14) Uani 1 1 d .
C28 C 0.5335(3) 0.11227(18) 0.5837(3) 0.0314(12) Uani 1 1 d .
H28 H 0.5139 0.1353 0.6167 0.038 Uiso 1 1 calc R
C29 C 0.5308(3) 0.11634(16) 0.4977(3) 0.0257(11) Uani 1 1 d .
H29 H 0.5088 0.1418 0.4720 0.031 Uiso 1 1 calc R
C30 C 0.5701(4) 0.0715(2) 0.7159(4) 0.0582(19) Uani 1 1 d .
H30A H 0.6175 0.0890 0.7379 0.087 Uiso 1 1 calc R
H30B H 0.5791 0.0413 0.7317 0.087 Uiso 1 1 calc R
H30C H 0.5174 0.0819 0.7390 0.087 Uiso 1 1 calc R
C31 C 0.5744(3) 0.27390(15) 0.3622(3) 0.0196(10) Uani 1 1 d .
C32 C 0.5800(3) 0.31778(16) 0.3767(3) 0.0292(12) Uani 1 1 d .
H32 H 0.5362 0.3365 0.3570 0.035 Uiso 1 1 calc R
C33 C 0.6501(3) 0.33429(17) 0.4204(4) 0.0384(14) Uani 1 1 d .
H33 H 0.6551 0.3643 0.4307 0.046 Uiso 1 1 calc R
C34 C 0.7123(3) 0.30604(16) 0.4484(3) 0.0314(12) Uani 1 1 d .
H34 H 0.7602 0.3163 0.4799 0.038 Uiso 1 1 calc R
C35 C 0.7042(3) 0.26259(16) 0.4301(3) 0.0236(11) Uani 1 1 d .
H35 H 0.7487 0.2436 0.4472 0.028 Uiso 1 1 calc R
C36 C 0.5054(3) 0.25063(14) 0.3214(3) 0.0159(9) Uani 1 1 d .
C37 C 0.5085(3) 0.20653(14) 0.3119(3) 0.0160(9) Uani 1 1 d .
C38 C 0.3908(3) 0.30699(15) 0.2896(3) 0.0254(11) Uani 1 1 d .
H38A H 0.3324 0.3053 0.2672 0.038 Uiso 1 1 calc R
H38B H 0.4241 0.3250 0.2531 0.038 Uiso 1 1 calc R
H38C H 0.3914 0.3196 0.3454 0.038 Uiso 1 1 calc R
C39 C 0.3902(3) 0.15512(15) 0.2630(3) 0.0185(10) Uani 1 1 d .
C40 C 0.3790(3) 0.12637(16) 0.3269(3) 0.0252(11) Uani 1 1 d .
H40 H 0.3968 0.1334 0.3822 0.030 Uiso 1 1 calc R
C41 C 0.3414(3) 0.08702(16) 0.3089(3) 0.0309(12) Uani 1 1 d .
H41 H 0.3350 0.0667 0.3523 0.037 Uiso 1 1 calc R
C42 C 0.3129(3) 0.07667(16) 0.2286(3) 0.0288(12) Uani 1 1 d .
C43 C 0.3231(3) 0.10676(17) 0.1671(3) 0.0317(12) Uani 1 1 d .
H43 H 0.3033 0.1003 0.1121 0.038 Uiso 1 1 calc R
C44 C 0.3616(3) 0.14636(16) 0.1832(3) 0.0260(11) Uani 1 1 d .
H44 H 0.3680 0.1668 0.1400 0.031 Uiso 1 1 calc R
C45 C 0.2725(4) 0.03344(19) 0.2090(4) 0.0487(16) Uani 1 1 d .
H45A H 0.2192 0.0379 0.1771 0.073 Uiso 1 1 calc R
H45B H 0.2613 0.0184 0.2609 0.073 Uiso 1 1 calc R
H45C H 0.3108 0.0161 0.1763 0.073 Uiso 1 1 calc R
C46 C 0.7835(3) 0.27437(14) 0.2433(3) 0.0182(10) Uani 1 1 d .
C47 C 0.7705(3) 0.31811(16) 0.2431(3) 0.0262(11) Uani 1 1 d .
H47 H 0.8113 0.3370 0.2681 0.031 Uiso 1 1 calc R
C48 C 0.6966(3) 0.33414(17) 0.2057(4) 0.0324(13) Uani 1 1 d .
H48 H 0.6860 0.3643 0.2056 0.039 Uiso 1 1 calc R
C49 C 0.6387(3) 0.30653(16) 0.1689(3) 0.0281(12) Uani 1 1 d .
H49 H 0.5889 0.3173 0.1414 0.034 Uiso 1 1 calc R
C50 C 0.6545(3) 0.26247(15) 0.1725(3) 0.0211(10) Uani 1 1 d .
H50 H 0.6143 0.2433 0.1475 0.025 Uiso 1 1 calc R
C51 C 0.8556(3) 0.25098(14) 0.2783(3) 0.0167(9) Uani 1 1 d .
C52 C 0.8544(2) 0.20664(14) 0.2840(3) 0.0150(9) Uani 1 1 d .
C53 C 0.9691(3) 0.30821(15) 0.3070(3) 0.0269(12) Uani 1 1 d .
H53A H 1.0299 0.3065 0.3204 0.040 Uiso 1 1 calc R
H53B H 0.9415 0.3246 0.3503 0.040 Uiso 1 1 calc R
H53C H 0.9597 0.3227 0.2533 0.040 Uiso 1 1 calc R
C54 C 0.9763(3) 0.15635(15) 0.3296(3) 0.0225(11) Uani 1 1 d .
C55 C 0.9925(3) 0.12800(19) 0.2675(4) 0.0428(16) Uani 1 1 d .
H55 H 0.9752 0.1344 0.2117 0.051 Uiso 1 1 calc R
C56 C 1.0346(4) 0.0897(2) 0.2863(5) 0.061(2) Uani 1 1 d .
H56 H 1.0445 0.0696 0.2432 0.073 Uiso 1 1 calc R
C57 C 1.0619(3) 0.08046(17) 0.3663(4) 0.0415(16) Uani 1 1 d .
C58 C 1.0447(3) 0.10923(18) 0.4275(4) 0.0381(14) Uani 1 1 d .
H58 H 1.0625 0.1030 0.4832 0.046 Uiso 1 1 calc R
C59 C 1.0018(3) 0.14737(17) 0.4103(3) 0.0297(12) Uani 1 1 d .
H59 H 0.9903 0.1670 0.4537 0.036 Uiso 1 1 calc R
C60 C 1.1103(4) 0.03929(19) 0.3876(5) 0.067(2) Uani 1 1 d .
H60A H 1.1113 0.0208 0.3382 0.101 Uiso 1 1 calc R
H60B H 1.0824 0.0240 0.4322 0.101 Uiso 1 1 calc R
H60C H 1.1683 0.0465 0.4060 0.101 Uiso 1 1 calc R
P1 P 0.93048(8) 0.24970(4) 0.54768(9) 0.0211(2) Uani 1 1 d .
P2 P 1.02040(9) 0.06913(5) 0.67906(11) 0.0360(4) Uani 1 1 d .
P3 P 0.92408(9) 0.25701(5) 0.04650(9) 0.0301(3) Uani 1 1 d .
P4 P 0.34574(9) 0.07333(4) -0.09111(10) 0.0320(3) Uani 1 1 d .
F1 F 0.97559(15) 0.27962(9) 0.61790(17) 0.0278(7) Uani 1 1 d .
F2 F 0.84028(15) 0.25887(9) 0.58566(18) 0.0307(7) Uani 1 1 d .
F3 F 0.91755(17) 0.29072(9) 0.48841(19) 0.0345(7) Uani 1 1 d .
F4 F 1.02057(15) 0.24057(10) 0.50981(18) 0.0320(7) Uani 1 1 d .
F5 F 0.94234(17) 0.20883(9) 0.60730(19) 0.0334(7) Uani 1 1 d .
F6 F 0.88518(16) 0.21984(9) 0.47767(17) 0.0286(7) Uani 1 1 d .
F7 F 1.0507(3) 0.08884(16) 0.7635(3) 0.0993(16) Uani 1 1 d .
F8 F 0.9256(2) 0.06687(13) 0.7052(3) 0.0729(13) Uani 1 1 d .
F9 F 1.0057(2) 0.11670(11) 0.6429(3) 0.0739(13) Uani 1 1 d .
F10 F 1.1141(2) 0.07182(11) 0.6465(3) 0.0689(12) Uani 1 1 d .
F11 F 1.0356(2) 0.02189(11) 0.7108(3) 0.0651(12) Uani 1 1 d .
F12 F 0.9892(3) 0.05094(14) 0.5905(2) 0.0784(13) Uani 1 1 d .
F13 F 0.9221(2) 0.29563(11) 0.1126(2) 0.0501(9) Uani 1 1 d .
F14 F 0.82598(19) 0.24895(12) 0.0586(2) 0.0558(10) Uani 1 1 d .
F15 F 0.9460(2) 0.22395(11) 0.1202(2) 0.0524(9) Uani 1 1 d .
F16 F 1.02207(19) 0.26561(12) 0.0350(2) 0.0505(9) Uani 1 1 d .
F17 F 0.9024(2) 0.29068(11) -0.0271(2) 0.0451(8) Uani 1 1 d .
F18 F 0.9259(2) 0.21901(10) -0.0191(2) 0.0519(10) Uani 1 1 d .
F19 F 0.4180(3) 0.08884(19) -0.1474(3) 0.127(3) Uani 1 1 d .
F20 F 0.3624(2) 0.11416(12) -0.0332(2) 0.0633(11) Uani 1 1 d .
F21 F 0.2801(3) 0.09967(14) -0.1458(3) 0.0921(16) Uani 1 1 d .
F22 F 0.3294(2) 0.03414(11) -0.1528(3) 0.0641(11) Uani 1 1 d .
F23 F 0.4118(4) 0.04783(19) -0.0388(4) 0.148(3) Uani 1 1 d .
F24 F 0.2718(3) 0.05950(16) -0.0359(3) 0.0962(17) Uani 1 1 d .
O1 O 0.6808(3) 0.21415(16) 0.7975(3) 0.0629(13) Uani 1 1 d .
C61 C 0.6631(4) 0.2760(3) 0.7145(5) 0.070(2) Uani 1 1 d .
H61A H 0.7143 0.2761 0.6823 0.105 Uiso 1 1 calc R
H61B H 0.6456 0.3057 0.7250 0.105 Uiso 1 1 calc R
H61C H 0.6177 0.2609 0.6832 0.105 Uiso 1 1 calc R
C62 C 0.6809(3) 0.2532(2) 0.7966(5) 0.0506(17) Uani 1 1 d .
C63 C 0.6969(4) 0.2787(3) 0.8712(5) 0.072(2) Uani 1 1 d .
H63A H 0.6432 0.2897 0.8910 0.108 Uiso 1 1 calc R
H63B H 0.7338 0.3030 0.8586 0.108 Uiso 1 1 calc R
H63C H 0.7243 0.2607 0.9144 0.108 Uiso 1 1 calc R
O2 O 0.3175(3) 0.04610(14) 0.5063(3) 0.0545(12) Uani 1 1 d .
C64 C 0.2695(4) 0.11697(19) 0.5247(4) 0.0533(17) Uani 1 1 d .
H64A H 0.2576 0.1160 0.4646 0.080 Uiso 1 1 calc R
H64B H 0.3092 0.1404 0.5379 0.080 Uiso 1 1 calc R
H64C H 0.2167 0.1220 0.5532 0.080 Uiso 1 1 calc R
C65 C 0.3073(3) 0.07516(19) 0.5531(4) 0.0388(14) Uani 1 1 d .
C66 C 0.3295(4) 0.0709(2) 0.6444(4) 0.0562(18) Uani 1 1 d .
H66A H 0.2775 0.0695 0.6754 0.084 Uiso 1 1 calc R
H66B H 0.3629 0.0960 0.6631 0.084 Uiso 1 1 calc R
H66C H 0.3625 0.0446 0.6542 0.084 Uiso 1 1 calc R
C67 C 1.0841(10) 0.0841(5) 0.0690(10) 0.180(6) Uiso 1 1 d .
C68 C 1.0444(10) 0.0407(5) 0.0749(11) 0.178(6) Uiso 1 1 d .
C69 C 1.0221(9) 0.0222(5) -0.0170(11) 0.177(6) 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'
F F 0.0171 0.0103 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
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_3
C22 Pd1 C37 92.75(18) .
C22 Pd1 N9 171.01(17) .
C37 Pd1 N9 79.74(16) .
C22 Pd1 N1 93.61(17) .
C37 Pd1 N1 164.22(16) .
N9 Pd1 N1 94.91(14) .
C22 Pd1 Pd2 86.45(13) .
C37 Pd1 Pd2 111.20(12) .
N9 Pd1 Pd2 91.64(9) .
N1 Pd1 Pd2 83.61(10) .
C7 Pd2 C52 93.11(17) .
C7 Pd2 N13 171.38(17) .
C52 Pd2 N13 80.31(16) .
C7 Pd2 N5 93.90(16) .
C52 Pd2 N5 164.02(16) .
N13 Pd2 N5 93.88(14) .
C7 Pd2 Pd1 88.12(13) .
C52 Pd2 Pd1 109.87(13) .
N13 Pd2 Pd1 88.89(10) .
N5 Pd2 Pd1 84.71(10) .
C5 N1 C1 117.6(4) .
C5 N1 Pd1 107.8(3) .
C1 N1 Pd1 134.2(3) .
N3 N2 C6 112.6(4) .
N3 N2 C8 116.4(4) .
C6 N2 C8 131.0(5) .
N2 N3 N4 104.5(4) .
N3 N4 C7 113.8(4) .
N3 N4 C9 117.8(4) .
C7 N4 C9 128.4(4) .
C20 N5 C16 117.9(4) .
C20 N5 Pd2 107.8(3) .
C16 N5 Pd2 134.0(3) .
N7 N6 C21 112.6(4) .
N7 N6 C23 116.3(4) .
C21 N6 C23 131.1(4) .
N6 N7 N8 103.5(4) .
N7 N8 C22 114.4(4) .
N7 N8 C24 117.1(4) .
C22 N8 C24 128.5(4) .
C35 N9 C31 118.4(4) .
C35 N9 Pd1 126.9(3) .
C31 N9 Pd1 114.8(3) .
N11 N10 C36 111.7(4) .
N11 N10 C38 118.2(4) .
C36 N10 C38 130.1(4) .
N10 N11 N12 104.5(3) .
N11 N12 C37 112.9(4) .
N11 N12 C39 115.9(3) .
C37 N12 C39 131.1(4) .
C50 N13 C46 118.3(4) .
C50 N13 Pd2 126.8(3) .
C46 N13 Pd2 114.7(3) .
N15 N14 C51 111.6(4) .
N15 N14 C53 117.7(4) .
C51 N14 C53 130.7(4) .
N14 N15 N16 104.2(3) .
N15 N16 C52 113.3(4) .
N15 N16 C54 115.4(3) .
C52 N16 C54 131.4(4) .
N1 C1 C2 120.6(5) .
N1 C1 C6 119.3(4) .
C2 C1 C6 120.2(4) .
C3 C2 C1 120.1(5) .
C3 C2 H2 119.9 .
C1 C2 H2 119.9 .
C4 C3 C2 119.2(5) .
C4 C3 H3 120.4 .
C2 C3 H3 120.4 .
C3 C4 C5 118.6(5) .
C3 C4 H4 120.7 .
C5 C4 H4 120.7 .
N1 C5 C4 123.8(5) .
N1 C5 H5 118.1 .
C4 C5 H5 118.1 .
N2 C6 C7 105.2(4) .
N2 C6 C1 122.9(4) .
C7 C6 C1 131.9(4) .
N4 C7 C6 104.0(4) .
N4 C7 Pd2 126.6(3) .
C6 C7 Pd2 129.4(3) .
N2 C8 H8A 109.5 .
N2 C8 H8B 109.5 .
H8A C8 H8B 109.5 .
N2 C8 H8C 109.5 .
H8A C8 H8C 109.5 .
H8B C8 H8C 109.5 .
C14 C9 C10 120.3(5) .
C14 C9 N4 120.4(4) .
C10 C9 N4 119.2(4) .
C11 C10 C9 119.6(5) .
C11 C10 H10 120.2 .
C9 C10 H10 120.2 .
C10 C11 C12 121.3(5) .
C10 C11 H11 119.4 .
C12 C11 H11 119.4 .
C13 C12 C11 118.0(6) .
C13 C12 C15 120.7(5) .
C11 C12 C15 121.3(6) .
C14 C13 C12 121.8(5) .
C14 C13 H13 119.1 .
C12 C13 H13 119.1 .
C13 C14 C9 119.0(5) .
C13 C14 H14 120.5 .
C9 C14 H14 120.5 .
C12 C15 H15A 109.5 .
C12 C15 H15B 109.5 .
H15A C15 H15B 109.5 .
C12 C15 H15C 109.5 .
H15A C15 H15C 109.5 .
H15B C15 H15C 109.5 .
N5 C16 C17 120.4(4) .
N5 C16 C21 119.0(4) .
C17 C16 C21 120.6(4) .
C18 C17 C16 121.0(4) .
C18 C17 H17 119.5 .
C16 C17 H17 119.5 .
C17 C18 C19 118.4(5) .
C17 C18 H18 120.8 .
C19 C18 H18 120.8 .
C18 C19 C20 118.3(5) .
C18 C19 H19 120.8 .
C20 C19 H19 120.8 .
N5 C20 C19 123.9(4) .
N5 C20 H20 118.1 .
C19 C20 H20 118.1 .
N6 C21 C22 106.5(4) .
N6 C21 C16 121.6(4) .
C22 C21 C16 131.9(4) .
N8 C22 C21 103.0(4) .
N8 C22 Pd1 126.6(4) .
C21 C22 Pd1 130.4(4) .
N6 C23 H23A 109.5 .
N6 C23 H23B 109.5 .
H23A C23 H23B 109.5 .
N6 C23 H23C 109.5 .
H23A C23 H23C 109.5 .
H23B C23 H23C 109.5 .
C29 C24 C25 121.0(5) .
C29 C24 N8 120.6(4) .
C25 C24 N8 118.4(4) .
C24 C25 C26 118.4(5) .
C24 C25 H25 120.8 .
C26 C25 H25 120.8 .
C27 C26 C25 122.1(5) .
C27 C26 H26 119.0 .
C25 C26 H26 119.0 .
C26 C27 C28 117.8(5) .
C26 C27 C30 121.0(5) .
C28 C27 C30 121.2(6) .
C27 C28 C29 121.3(5) .
C27 C28 H28 119.4 .
C29 C28 H28 119.4 .
C24 C29 C28 119.3(5) .
C24 C29 H29 120.4 .
C28 C29 H29 120.4 .
C27 C30 H30A 109.5 .
C27 C30 H30B 109.5 .
H30A C30 H30B 109.5 .
C27 C30 H30C 109.5 .
H30A C30 H30C 109.5 .
H30B C30 H30C 109.5 .
N9 C31 C32 121.7(4) .
N9 C31 C36 110.6(4) .
C32 C31 C36 127.6(4) .
C31 C32 C33 119.6(4) .
C31 C32 H32 120.2 .
C33 C32 H32 120.2 .
C34 C33 C32 118.5(5) .
C34 C33 H33 120.8 .
C32 C33 H33 120.8 .
C33 C34 C35 119.3(5) .
C33 C34 H34 120.3 .
C35 C34 H34 120.3 .
N9 C35 C34 122.5(4) .
N9 C35 H35 118.7 .
C34 C35 H35 118.7 .
N10 C36 C37 107.3(4) .
N10 C36 C31 131.3(4) .
C37 C36 C31 121.1(4) .
N12 C37 C36 103.5(4) .
N12 C37 Pd1 142.0(3) .
C36 C37 Pd1 113.7(3) .
N10 C38 H38A 109.5 .
N10 C38 H38B 109.5 .
H38A C38 H38B 109.5 .
N10 C38 H38C 109.5 .
H38A C38 H38C 109.5 .
H38B C38 H38C 109.5 .
C44 C39 C40 121.5(4) .
C44 C39 N12 119.3(4) .
C40 C39 N12 119.1(4) .
C39 C40 C41 118.8(5) .
C39 C40 H40 120.6 .
C41 C40 H40 120.6 .
C40 C41 C42 121.3(5) .
C40 C41 H41 119.3 .
C42 C41 H41 119.3 .
C43 C42 C41 118.0(5) .
C43 C42 C45 120.8(5) .
C41 C42 C45 121.2(5) .
C42 C43 C44 122.0(5) .
C42 C43 H43 119.0 .
C44 C43 H43 119.0 .
C39 C44 C43 118.3(5) .
C39 C44 H44 120.8 .
C43 C44 H44 120.8 .
C42 C45 H45A 109.5 .
C42 C45 H45B 109.5 .
H45A C45 H45B 109.5 .
C42 C45 H45C 109.5 .
H45A C45 H45C 109.5 .
H45B C45 H45C 109.5 .
N13 C46 C47 122.1(4) .
N13 C46 C51 110.2(4) .
C47 C46 C51 127.8(4) .
C46 C47 C48 118.6(4) .
C46 C47 H47 120.7 .
C48 C47 H47 120.7 .
C49 C48 C47 120.1(5) .
C49 C48 H48 120.0 .
C47 C48 H48 120.0 .
C48 C49 C50 118.7(4) .
C48 C49 H49 120.6 .
C50 C49 H49 120.6 .
N13 C50 C49 122.1(4) .
N13 C50 H50 118.9 .
C49 C50 H50 118.9 .
N14 C51 C52 108.1(4) .
N14 C51 C46 130.7(4) .
C52 C51 C46 120.9(4) .
N16 C52 C51 102.8(4) .
N16 C52 Pd2 142.4(3) .
C51 C52 Pd2 113.5(3) .
N14 C53 H53A 109.5 .
N14 C53 H53B 109.5 .
H53A C53 H53B 109.5 .
N14 C53 H53C 109.5 .
H53A C53 H53C 109.5 .
H53B C53 H53C 109.5 .
C55 C54 C59 120.4(5) .
C55 C54 N16 120.7(5) .
C59 C54 N16 118.9(4) .
C54 C55 C56 119.7(6) .
C54 C55 H55 120.2 .
C56 C55 H55 120.2 .
C57 C56 C55 120.8(6) .
C57 C56 H56 119.6 .
C55 C56 H56 119.6 .
C58 C57 C56 118.4(5) .
C58 C57 C60 120.0(6) .
C56 C57 C60 121.5(6) .
C57 C58 C59 121.7(6) .
C57 C58 H58 119.2 .
C59 C58 H58 119.2 .
C54 C59 C58 119.0(5) .
C54 C59 H59 120.5 .
C58 C59 H59 120.5 .
C57 C60 H60A 109.5 .
C57 C60 H60B 109.5 .
H60A C60 H60B 109.5 .
C57 C60 H60C 109.5 .
H60A C60 H60C 109.5 .
H60B C60 H60C 109.5 .
F5 P1 F4 90.17(16) .
F5 P1 F3 179.34(19) .
F4 P1 F3 90.50(17) .
F5 P1 F2 89.84(16) .
F4 P1 F2 180.0(2) .
F3 P1 F2 89.50(16) .
F5 P1 F6 90.12(16) .
F4 P1 F6 90.59(15) .
F3 P1 F6 89.86(17) .
F2 P1 F6 89.45(15) .
F5 P1 F1 89.87(16) .
F4 P1 F1 89.57(15) .
F3 P1 F1 90.15(16) .
F2 P1 F1 90.39(15) .
F6 P1 F1 179.84(19) .
F7 P2 F11 92.6(3) .
F7 P2 F8 92.8(3) .
F11 P2 F8 90.4(2) .
F7 P2 F10 90.5(3) .
F11 P2 F10 91.4(2) .
F8 P2 F10 176.2(3) .
F7 P2 F12 177.5(3) .
F11 P2 F12 89.9(2) .
F8 P2 F12 87.6(2) .
F10 P2 F12 89.0(2) .
F7 P2 F9 89.5(3) .
F11 P2 F9 177.7(3) .
F8 P2 F9 90.7(2) .
F10 P2 F9 87.5(2) .
F12 P2 F9 88.0(2) .
F18 P3 F16 90.26(19) .
F18 P3 F14 90.44(19) .
F16 P3 F14 179.3(2) .
F18 P3 F15 90.5(2) .
F16 P3 F15 90.54(19) .
F14 P3 F15 89.6(2) .
F18 P3 F13 179.7(3) .
F16 P3 F13 89.81(19) .
F14 P3 F13 89.48(19) .
F15 P3 F13 89.8(2) .
F18 P3 F17 90.1(2) .
F16 P3 F17 89.19(18) .
F14 P3 F17 90.68(19) .
F15 P3 F17 179.4(2) .
F13 P3 F17 89.7(2) .
F23 P4 F24 93.2(4) .
F23 P4 F19 88.7(4) .
F24 P4 F19 177.8(4) .
F23 P4 F21 178.6(4) .
F24 P4 F21 88.1(3) .
F19 P4 F21 89.9(3) .
F23 P4 F22 92.2(3) .
F24 P4 F22 92.2(2) .
F19 P4 F22 88.8(2) .
F21 P4 F22 87.7(2) .
F23 P4 F20 89.7(3) .
F24 P4 F20 89.8(2) .
F19 P4 F20 89.2(2) .
F21 P4 F20 90.3(2) .
F22 P4 F20 177.2(2) .
C62 C61 H61A 109.5 .
C62 C61 H61B 109.5 .
H61A C61 H61B 109.5 .
C62 C61 H61C 109.5 .
H61A C61 H61C 109.5 .
H61B C61 H61C 109.5 .
O1 C62 C63 122.4(8) .
O1 C62 C61 118.5(7) .
C63 C62 C61 119.1(7) .
C62 C63 H63A 109.5 .
C62 C63 H63B 109.5 .
H63A C63 H63B 109.5 .
C62 C63 H63C 109.5 .
H63A C63 H63C 109.5 .
H63B C63 H63C 109.5 .
C65 C64 H64A 109.5 .
C65 C64 H64B 109.5 .
H64A C64 H64B 109.5 .
C65 C64 H64C 109.5 .
H64A C64 H64C 109.5 .
H64B C64 H64C 109.5 .
O2 C65 C64 121.9(6) .
O2 C65 C66 121.3(6) .
C64 C65 C66 116.7(5) .
C65 C66 H66A 109.5 .
C65 C66 H66B 109.5 .
H66A C66 H66B 109.5 .
C65 C66 H66C 109.5 .
H66A C66 H66C 109.5 .
H66B C66 H66C 109.5 .
C67 C68 C69 109.9(14) .
C68 C69 C69 94.1(15) 3_755
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 C22 1.965(5) .
Pd1 C37 1.975(4) .
Pd1 N9 2.138(4) .
Pd1 N1 2.149(4) .
Pd1 Pd2 3.0232(4) .
Pd2 C7 1.966(4) .
Pd2 C52 1.967(4) .
Pd2 N13 2.117(4) .
Pd2 N5 2.136(4) .
N1 C5 1.347(6) .
N1 C1 1.367(6) .
N2 N3 1.309(6) .
N2 C6 1.382(6) .
N2 C8 1.469(6) .
N3 N4 1.334(5) .
N4 C7 1.359(6) .
N4 C9 1.428(6) .
N5 C20 1.345(6) .
N5 C16 1.353(5) .
N6 N7 1.316(6) .
N6 C21 1.378(6) .
N6 C23 1.477(6) .
N7 N8 1.341(5) .
N8 C22 1.371(6) .
N8 C24 1.441(6) .
N9 C35 1.339(5) .
N9 C31 1.359(5) .
N10 N11 1.315(5) .
N10 C36 1.357(5) .
N10 C38 1.463(5) .
N11 N12 1.343(5) .
N12 C37 1.365(5) .
N12 C39 1.447(6) .
N13 C50 1.343(5) .
N13 C46 1.370(5) .
N14 N15 1.324(5) .
N14 C51 1.348(5) .
N14 C53 1.464(5) .
N15 N16 1.343(5) .
N16 C52 1.370(5) .
N16 C54 1.446(6) .
C1 C2 1.388(6) .
C1 C6 1.460(7) .
C2 C3 1.384(7) .
C2 H2 0.9500 .
C3 C4 1.366(7) .
C3 H3 0.9500 .
C4 C5 1.375(6) .
C4 H4 0.9500 .
C5 H5 0.9500 .
C6 C7 1.400(6) .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 C14 1.383(6) .
C9 C10 1.387(7) .
C10 C11 1.372(8) .
C10 H10 0.9500 .
C11 C12 1.390(8) .
C11 H11 0.9500 .
C12 C13 1.384(7) .
C12 C15 1.523(8) .
C13 C14 1.379(7) .
C13 H13 0.9500 .
C14 H14 0.9500 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 C17 1.393(6) .
C16 C21 1.472(7) .
C17 C18 1.375(7) .
C17 H17 0.9500 .
C18 C19 1.378(7) .
C18 H18 0.9500 .
C19 C20 1.382(6) .
C19 H19 0.9500 .
C20 H20 0.9500 .
C21 C22 1.387(7) .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 C29 1.377(7) .
C24 C25 1.383(7) .
C25 C26 1.390(8) .
C25 H25 0.9500 .
C26 C27 1.383(8) .
C26 H26 0.9500 .
C27 C28 1.387(7) .
C27 C30 1.510(8) .
C28 C29 1.391(7) .
C28 H28 0.9500 .
C29 H29 0.9500 .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C31 C32 1.384(6) .
C31 C36 1.446(6) .
C32 C33 1.387(7) .
C32 H32 0.9500 .
C33 C34 1.382(7) .
C33 H33 0.9500 .
C34 C35 1.385(7) .
C34 H34 0.9500 .
C35 H35 0.9500 .
C36 C37 1.379(6) .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
C39 C44 1.374(6) .
C39 C40 1.378(6) .
C40 C41 1.384(7) .
C40 H40 0.9500 .
C41 C42 1.390(7) .
C41 H41 0.9500 .
C42 C43 1.375(7) .
C42 C45 1.515(7) .
C43 C44 1.392(7) .
C43 H43 0.9500 .
C44 H44 0.9500 .
C45 H45A 0.9800 .
C45 H45B 0.9800 .
C45 H45C 0.9800 .
C46 C47 1.373(6) .
C46 C51 1.448(6) .
C47 C48 1.387(7) .
C47 H47 0.9500 .
C48 C49 1.372(7) .
C48 H48 0.9500 .
C49 C50 1.391(6) .
C49 H49 0.9500 .
C50 H50 0.9500 .
C51 C52 1.380(6) .
C53 H53A 0.9800 .
C53 H53B 0.9800 .
C53 H53C 0.9800 .
C54 C55 1.363(7) .
C54 C59 1.375(7) .
C55 C56 1.391(8) .
C55 H55 0.9500 .
C56 C57 1.373(9) .
C56 H56 0.9500 .
C57 C58 1.364(8) .
C57 C60 1.522(7) .
C58 C59 1.387(7) .
C58 H58 0.9500 .
C59 H59 0.9500 .
C60 H60A 0.9800 .
C60 H60B 0.9800 .
C60 H60C 0.9800 .
P1 F5 1.598(3) .
P1 F4 1.598(3) .
P1 F3 1.599(3) .
P1 F2 1.601(3) .
P1 F6 1.606(3) .
P1 F1 1.608(3) .
P2 F7 1.550(4) .
P2 F11 1.568(4) .
P2 F8 1.577(4) .
P2 F10 1.594(4) .
P2 F12 1.594(4) .
P2 F9 1.601(4) .
P3 F18 1.584(3) .
P3 F16 1.592(3) .
P3 F14 1.592(3) .
P3 F15 1.597(4) .
P3 F13 1.605(3) .
P3 F17 1.607(3) .
P4 F23 1.536(4) .
P4 F24 1.557(4) .
P4 F19 1.564(4) .
P4 F21 1.566(4) .
P4 F22 1.585(4) .
P4 F20 1.590(4) .
O1 C62 1.211(7) .
C61 C62 1.516(10) .
C61 H61A 0.9800 .
C61 H61B 0.9800 .
C61 H61C 0.9800 .
C62 C63 1.454(10) .
C63 H63A 0.9800 .
C63 H63B 0.9800 .
C63 H63C 0.9800 .
O2 C65 1.190(7) .
C64 C65 1.493(8) .
C64 H64A 0.9800 .
C64 H64B 0.9800 .
C64 H64C 0.9800 .
C65 C66 1.504(8) .
C66 H66A 0.9800 .
C66 H66B 0.9800 .
C66 H66C 0.9800 .
C67 C68 1.493(19) .
C68 C69 1.61(2) .
C69 C69 1.65(3) 3_755
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_4
C22 Pd1 Pd2 C7 -48.25(17) .
C37 Pd1 Pd2 C7 -139.82(19) .
N9 Pd1 Pd2 C7 140.55(16) .
N1 Pd1 Pd2 C7 45.80(16) .
C22 Pd1 Pd2 C52 -140.88(19) .
C37 Pd1 Pd2 C52 127.55(18) .
N9 Pd1 Pd2 C52 47.92(16) .
N1 Pd1 Pd2 C52 -46.84(17) .
C22 Pd1 Pd2 N13 139.84(17) .
C37 Pd1 Pd2 N13 48.27(17) .
N9 Pd1 Pd2 N13 -31.36(13) .
N1 Pd1 Pd2 N13 -126.11(14) .
C22 Pd1 Pd2 N5 45.84(17) .
C37 Pd1 Pd2 N5 -45.73(17) .
N9 Pd1 Pd2 N5 -125.36(14) .
N1 Pd1 Pd2 N5 139.89(14) .
C22 Pd1 N1 C5 -128.6(3) .
C37 Pd1 N1 C5 -15.0(7) .
N9 Pd1 N1 C5 54.3(3) .
Pd2 Pd1 N1 C5 145.4(3) .
C22 Pd1 N1 C1 43.1(4) .
C37 Pd1 N1 C1 156.7(6) .
N9 Pd1 N1 C1 -134.0(4) .
Pd2 Pd1 N1 C1 -42.9(4) .
C6 N2 N3 N4 0.1(5) .
C8 N2 N3 N4 -179.9(4) .
N2 N3 N4 C7 -0.3(5) .
N2 N3 N4 C9 -178.9(4) .
C7 Pd2 N5 C20 -126.8(3) .
C52 Pd2 N5 C20 -10.9(7) .
N13 Pd2 N5 C20 57.0(3) .
Pd1 Pd2 N5 C20 145.5(3) .
C7 Pd2 N5 C16 46.4(4) .
C52 Pd2 N5 C16 162.2(5) .
N13 Pd2 N5 C16 -129.9(4) .
Pd1 Pd2 N5 C16 -41.3(4) .
C21 N6 N7 N8 -0.1(5) .
C23 N6 N7 N8 -179.9(4) .
N6 N7 N8 C22 0.1(5) .
N6 N7 N8 C24 -178.4(4) .
C22 Pd1 N9 C35 -147.1(9) .
C37 Pd1 N9 C35 179.2(4) .
N1 Pd1 N9 C35 14.2(4) .
Pd2 Pd1 N9 C35 -69.5(4) .
C22 Pd1 N9 C31 31.9(11) .
C37 Pd1 N9 C31 -1.8(3) .
N1 Pd1 N9 C31 -166.8(3) .
Pd2 Pd1 N9 C31 109.5(3) .
C36 N10 N11 N12 -1.3(5) .
C38 N10 N11 N12 -179.9(4) .
N10 N11 N12 C37 -0.1(5) .
N10 N11 N12 C39 177.5(4) .
C7 Pd2 N13 C50 -138.3(10) .
C52 Pd2 N13 C50 -178.9(4) .
N5 Pd2 N13 C50 16.1(4) .
Pd1 Pd2 N13 C50 -68.5(4) .
C7 Pd2 N13 C46 36.2(11) .
C52 Pd2 N13 C46 -4.5(3) .
N5 Pd2 N13 C46 -169.5(3) .
Pd1 Pd2 N13 C46 105.9(3) .
C51 N14 N15 N16 -0.1(5) .
C53 N14 N15 N16 -178.6(4) .
N14 N15 N16 C52 -0.4(5) .
N14 N15 N16 C54 179.9(4) .
C5 N1 C1 C2 -3.9(6) .
Pd1 N1 C1 C2 -175.0(3) .
C5 N1 C1 C6 176.0(4) .
Pd1 N1 C1 C6 4.9(6) .
N1 C1 C2 C3 4.0(7) .
C6 C1 C2 C3 -175.9(4) .
C1 C2 C3 C4 -1.3(8) .
C2 C3 C4 C5 -1.2(8) .
C1 N1 C5 C4 1.3(7) .
Pd1 N1 C5 C4 174.6(4) .
C3 C4 C5 N1 1.3(8) .
N3 N2 C6 C7 0.1(5) .
C8 N2 C6 C7 -179.9(5) .
N3 N2 C6 C1 -178.5(4) .
C8 N2 C6 C1 1.5(7) .
N1 C1 C6 N2 -142.6(4) .
C2 C1 C6 N2 37.3(6) .
N1 C1 C6 C7 39.1(7) .
C2 C1 C6 C7 -141.0(5) .
N3 N4 C7 C6 0.4(5) .
C9 N4 C7 C6 178.8(4) .
N3 N4 C7 Pd2 -177.4(3) .
C9 N4 C7 Pd2 1.0(6) .
N2 C6 C7 N4 -0.3(4) .
C1 C6 C7 N4 178.1(4) .
N2 C6 C7 Pd2 177.4(3) .
C1 C6 C7 Pd2 -4.1(7) .
C52 Pd2 C7 N4 -113.1(4) .
N13 Pd2 C7 N4 -153.1(9) .
N5 Pd2 C7 N4 52.5(4) .
Pd1 Pd2 C7 N4 137.1(4) .
C52 Pd2 C7 C6 69.6(4) .
N13 Pd2 C7 C6 29.6(13) .
N5 Pd2 C7 C6 -124.7(4) .
Pd1 Pd2 C7 C6 -40.2(4) .
N3 N4 C9 C14 -140.7(4) .
C7 N4 C9 C14 41.0(7) .
N3 N4 C9 C10 38.5(6) .
C7 N4 C9 C10 -139.8(5) .
C14 C9 C10 C11 -2.4(8) .
N4 C9 C10 C11 178.4(5) .
C9 C10 C11 C12 0.6(10) .
C10 C11 C12 C13 1.1(10) .
C10 C11 C12 C15 -178.4(6) .
C11 C12 C13 C14 -1.0(9) .
C15 C12 C13 C14 178.5(6) .
C12 C13 C14 C9 -0.8(8) .
C10 C9 C14 C13 2.5(7) .
N4 C9 C14 C13 -178.3(4) .
C20 N5 C16 C17 -3.5(6) .
Pd2 N5 C16 C17 -176.1(3) .
C20 N5 C16 C21 175.6(4) .
Pd2 N5 C16 C21 3.0(6) .
N5 C16 C17 C18 4.5(7) .
C21 C16 C17 C18 -174.5(4) .
C16 C17 C18 C19 -1.9(7) .
C17 C18 C19 C20 -1.5(7) .
C16 N5 C20 C19 -0.1(7) .
Pd2 N5 C20 C19 174.3(4) .
C18 C19 C20 N5 2.6(7) .
N7 N6 C21 C22 0.0(5) .
C23 N6 C21 C22 179.8(5) .
N7 N6 C21 C16 -179.9(4) .
C23 N6 C21 C16 -0.1(7) .
N5 C16 C21 N6 -141.9(4) .
C17 C16 C21 N6 37.2(6) .
N5 C16 C21 C22 38.2(7) .
C17 C16 C21 C22 -142.7(5) .
N7 N8 C22 C21 -0.1(5) .
C24 N8 C22 C21 178.2(4) .
N7 N8 C22 Pd1 -179.7(3) .
C24 N8 C22 Pd1 -1.4(6) .
N6 C21 C22 N8 0.1(4) .
C16 C21 C22 N8 180.0(4) .
N6 C21 C22 Pd1 179.6(3) .
C16 C21 C22 Pd1 -0.5(7) .
C37 Pd1 C22 N8 -111.8(4) .
N9 Pd1 C22 N8 -145.0(9) .
N1 Pd1 C22 N8 53.7(4) .
Pd2 Pd1 C22 N8 137.1(4) .
C37 Pd1 C22 C21 68.7(4) .
N9 Pd1 C22 C21 35.6(12) .
N1 Pd1 C22 C21 -125.7(4) .
Pd2 Pd1 C22 C21 -42.4(4) .
N7 N8 C24 C29 -143.3(4) .
C22 N8 C24 C29 38.4(7) .
N7 N8 C24 C25 37.1(6) .
C22 N8 C24 C25 -141.1(5) .
C29 C24 C25 C26 -2.5(8) .
N8 C24 C25 C26 177.1(4) .
C24 C25 C26 C27 -0.2(8) .
C25 C26 C27 C28 2.2(8) .
C25 C26 C27 C30 -177.2(5) .
C26 C27 C28 C29 -1.7(8) .
C30 C27 C28 C29 177.7(5) .
C25 C24 C29 C28 3.0(7) .
N8 C24 C29 C28 -176.5(4) .
C27 C28 C29 C24 -0.8(7) .
C35 N9 C31 C32 -0.7(7) .
Pd1 N9 C31 C32 -179.8(4) .
C35 N9 C31 C36 -178.6(4) .
Pd1 N9 C31 C36 2.2(5) .
N9 C31 C32 C33 -0.4(8) .
C36 C31 C32 C33 177.2(5) .
C31 C32 C33 C34 -0.3(8) .
C32 C33 C34 C35 2.0(8) .
C31 N9 C35 C34 2.5(7) .
Pd1 N9 C35 C34 -178.5(4) .
C33 C34 C35 N9 -3.2(8) .
N11 N10 C36 C37 2.1(5) .
C38 N10 C36 C37 -179.5(4) .
N11 N10 C36 C31 -171.4(5) .
C38 N10 C36 C31 7.0(8) .
N9 C31 C36 N10 171.1(5) .
C32 C31 C36 N10 -6.7(9) .
N9 C31 C36 C37 -1.7(6) .
C32 C31 C36 C37 -179.5(5) .
N11 N12 C37 C36 1.3(5) .
C39 N12 C37 C36 -175.8(4) .
N11 N12 C37 Pd1 169.5(4) .
C39 N12 C37 Pd1 -7.6(8) .
N10 C36 C37 N12 -2.0(5) .
C31 C36 C37 N12 172.3(4) .
N10 C36 C37 Pd1 -174.1(3) .
C31 C36 C37 Pd1 0.2(6) .
C22 Pd1 C37 N12 18.3(5) .
N9 Pd1 C37 N12 -166.7(6) .
N1 Pd1 C37 N12 -95.4(8) .
Pd2 Pd1 C37 N12 105.6(5) .
C22 Pd1 C37 C36 -174.3(3) .
N9 Pd1 C37 C36 0.8(3) .
N1 Pd1 C37 C36 72.0(7) .
Pd2 Pd1 C37 C36 -87.0(3) .
N11 N12 C39 C44 63.5(5) .
C37 N12 C39 C44 -119.5(5) .
N11 N12 C39 C40 -113.6(5) .
C37 N12 C39 C40 63.4(6) .
C44 C39 C40 C41 2.9(7) .
N12 C39 C40 C41 179.8(4) .
C39 C40 C41 C42 -1.8(7) .
C40 C41 C42 C43 0.0(8) .
C40 C41 C42 C45 179.5(5) .
C41 C42 C43 C44 0.8(8) .
C45 C42 C43 C44 -178.7(5) .
C40 C39 C44 C43 -2.1(7) .
N12 C39 C44 C43 -179.0(4) .
C42 C43 C44 C39 0.2(8) .
C50 N13 C46 C47 3.7(7) .
Pd2 N13 C46 C47 -171.2(4) .
C50 N13 C46 C51 -177.9(4) .
Pd2 N13 C46 C51 7.2(5) .
N13 C46 C47 C48 -2.1(7) .
C51 C46 C47 C48 179.8(5) .
C46 C47 C48 C49 -0.9(8) .
C47 C48 C49 C50 2.2(8) .
C46 N13 C50 C49 -2.3(7) .
Pd2 N13 C50 C49 171.9(4) .
C48 C49 C50 N13 -0.6(7) .
N15 N14 C51 C52 0.5(5) .
C53 N14 C51 C52 178.8(4) .
N15 N14 C51 C46 -173.3(4) .
C53 N14 C51 C46 5.0(8) .
N13 C46 C51 N14 165.7(5) .
C47 C46 C51 N14 -16.0(8) .
N13 C46 C51 C52 -7.4(6) .
C47 C46 C51 C52 170.8(5) .
N15 N16 C52 C51 0.7(5) .
C54 N16 C52 C51 -179.7(4) .
N15 N16 C52 Pd2 165.6(4) .
C54 N16 C52 Pd2 -14.8(9) .
N14 C51 C52 N16 -0.7(5) .
C46 C51 C52 N16 173.8(4) .
N14 C51 C52 Pd2 -170.7(3) .
C46 C51 C52 Pd2 3.8(5) .
C7 Pd2 C52 N16 22.1(6) .
N13 Pd2 C52 N16 -163.6(6) .
N5 Pd2 C52 N16 -93.9(8) .
Pd1 Pd2 C52 N16 111.2(5) .
C7 Pd2 C52 C51 -174.0(3) .
N13 Pd2 C52 C51 0.4(3) .
N5 Pd2 C52 C51 70.0(7) .
Pd1 Pd2 C52 C51 -84.9(3) .
N15 N16 C54 C55 -111.5(5) .
C52 N16 C54 C55 68.9(7) .
N15 N16 C54 C59 65.9(5) .
C52 N16 C54 C59 -113.7(5) .
C59 C54 C55 C56 0.5(9) .
N16 C54 C55 C56 177.8(5) .
C54 C55 C56 C57 -1.6(10) .
C55 C56 C57 C58 1.9(10) .
C55 C56 C57 C60 -178.2(6) .
C56 C57 C58 C59 -1.0(9) .
C60 C57 C58 C59 179.0(5) .
C55 C54 C59 C58 0.4(8) .
N16 C54 C59 C58 -177.0(4) .
C57 C58 C59 C54 -0.1(8) .
C67 C68 C69 C69 -177.3(14) 3_755
