#------------------------------------------------------------------------------
#$Date: 2016-03-21 06:47:46 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178534 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/39/4063925.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_4063925
loop_
_publ_author_name
'Pearson, David M.'
'Conley, Nicholas R.'
'Waymouth, Robert M.'
_publ_section_title
;
 Oxidatively Resistant Ligands for Palladium-Catalyzed Aerobic Alcohol
 Oxidation
;
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1445
_journal_paper_doi               10.1021/om101037k
_journal_volume                  30
_journal_year                    2011
_chemical_formula_moiety         '2(C28 H22 N4 O4 Pd2), 4(C F3 O3 S), H2 O'
_chemical_formula_sum            'C60 H46 F12 N8 O21 Pd4 S4'
_chemical_formula_weight         1996.89
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 98.985(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.297(6)
_cell_length_b                   12.578(3)
_cell_length_c                   27.358(7)
_cell_measurement_reflns_used    4009
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      2.21
_cell_volume                     6899(3)
_computing_cell_refinement       'SAINT, Bruker'
_computing_data_collection       'SMART, Bruker'
_computing_data_reduction        'SAINT, Bruker'
_computing_molecular_graphics    'SHELXTL, Bruker'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Siemens SMART Platform CCD'
_diffrn_measurement_method       'area detector, omega scans per phi'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0407
_diffrn_reflns_av_sigmaI/netI    0.0356
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            50007
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.36
_exptl_absorpt_coefficient_mu    1.261
_exptl_absorpt_correction_T_max  0.8334
_exptl_absorpt_correction_T_min  0.6008
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, R. Blessing, 1995'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.923
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3944
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.961
_refine_diff_density_min         -0.774
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     986
_refine_ls_number_reflns         12165
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.0574
_refine_ls_R_factor_gt           0.0432
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0445P)²+24.9186P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1018
_refine_ls_wR_factor_ref         0.1080
_reflns_number_gt                10015
_reflns_number_total             12165
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om101037k_si_002.cif
_cod_data_source_block           '[(phen)Pd(OAc)]2[OTf]2'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               4063925
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 0.503403(18) -0.01177(3) 0.556728(14) 0.03058(10) Uani 1 1 d .
Pd2 Pd 0.529397(19) -0.00589(3) 0.662297(14) 0.03168(10) Uani 1 1 d .
O1 O 0.60184(17) -0.0403(3) 0.56603(13) 0.0411(9) Uani 1 1 d .
O2 O 0.6244(2) -0.0081(4) 0.64954(16) 0.0579(11) Uani 1 1 d .
O3 O 0.51936(18) 0.1466(3) 0.56286(13) 0.0406(9) Uani 1 1 d .
O4 O 0.5228(2) 0.1509(3) 0.64700(16) 0.0561(11) Uani 1 1 d .
N1 N 0.4795(2) -0.1671(3) 0.55047(15) 0.0317(9) Uani 1 1 d .
N2 N 0.4042(2) 0.0047(3) 0.54524(15) 0.0318(9) Uani 1 1 d .
N3 N 0.5299(2) -0.1636(3) 0.67892(15) 0.0387(11) Uani 1 1 d .
N4 N 0.4322(2) -0.0210(3) 0.67096(15) 0.0299(9) Uani 1 1 d .
C1 C 0.5191(3) -0.2510(4) 0.55033(19) 0.0374(12) Uani 1 1 d .
H1 H 0.5657 -0.2406 0.5520 0.045 Uiso 1 1 calc R
C2 C 0.4936(3) -0.3544(5) 0.5478(2) 0.0488(15) Uani 1 1 d .
H2 H 0.5229 -0.4129 0.5467 0.059 Uiso 1 1 calc R
C3 C 0.4267(3) -0.3726(4) 0.5469(2) 0.0456(14) Uani 1 1 d .
H3 H 0.4099 -0.4431 0.5464 0.055 Uiso 1 1 calc R
C4 C 0.3833(3) -0.2844(4) 0.5465(2) 0.0387(12) Uani 1 1 d .
C5 C 0.4124(2) -0.1835(4) 0.54781(17) 0.0312(11) Uani 1 1 d .
C6 C 0.3124(3) -0.2918(5) 0.5446(2) 0.0470(14) Uani 1 1 d .
H6 H 0.2922 -0.3598 0.5453 0.056 Uiso 1 1 calc R
C7 C 0.2739(3) -0.2041(5) 0.5419(2) 0.0455(14) Uani 1 1 d .
H7 H 0.2271 -0.2115 0.5407 0.055 Uiso 1 1 calc R
C8 C 0.3022(3) -0.0999(5) 0.5408(2) 0.0388(12) Uani 1 1 d .
C9 C 0.3718(2) -0.0905(4) 0.54495(17) 0.0311(11) Uani 1 1 d .
C10 C 0.2657(3) -0.0032(5) 0.5351(2) 0.0464(14) Uani 1 1 d .
H10 H 0.2185 -0.0042 0.5323 0.056 Uiso 1 1 calc R
C11 C 0.2983(3) 0.0905(5) 0.5338(2) 0.0464(15) Uani 1 1 d .
H11 H 0.2735 0.1548 0.5290 0.056 Uiso 1 1 calc R
C12 C 0.3680(3) 0.0935(4) 0.53960(19) 0.0381(12) Uani 1 1 d .
H12 H 0.3899 0.1602 0.5395 0.046 Uiso 1 1 calc R
C13 C 0.5807(3) -0.2323(5) 0.6845(2) 0.0559(17) Uani 1 1 d .
H13 H 0.6244 -0.2073 0.6824 0.067 Uiso 1 1 calc R
C14 C 0.5711(4) -0.3409(6) 0.6935(2) 0.068(2) Uani 1 1 d .
H14 H 0.6080 -0.3882 0.6973 0.082 Uiso 1 1 calc R
C15 C 0.5096(5) -0.3780(5) 0.6966(2) 0.070(2) Uani 1 1 d .
H15 H 0.5036 -0.4513 0.7028 0.084 Uiso 1 1 calc R
C16 C 0.4540(4) -0.3086(5) 0.6907(2) 0.0507(16) Uani 1 1 d .
C17 C 0.4675(3) -0.2010(4) 0.68216(18) 0.0380(12) Uani 1 1 d .
C18 C 0.3864(4) -0.3386(5) 0.6928(3) 0.067(2) Uani 1 1 d .
H18 H 0.3766 -0.4111 0.6983 0.080 Uiso 1 1 calc R
C19 C 0.3370(4) -0.2682(5) 0.6872(3) 0.0618(18) Uani 1 1 d .
H19 H 0.2929 -0.2919 0.6884 0.074 Uiso 1 1 calc R
C20 C 0.3486(3) -0.1565(5) 0.6795(2) 0.0461(14) Uani 1 1 d .
C21 C 0.4148(3) -0.1253(4) 0.67744(18) 0.0334(11) Uani 1 1 d .
C22 C 0.2995(3) -0.0772(5) 0.6753(2) 0.0556(16) Uani 1 1 d .
H22 H 0.2543 -0.0947 0.6766 0.067 Uiso 1 1 calc R
C23 C 0.3180(3) 0.0257(5) 0.6691(2) 0.0517(16) Uani 1 1 d .
H23 H 0.2851 0.0801 0.6657 0.062 Uiso 1 1 calc R
C24 C 0.3844(3) 0.0525(4) 0.6677(2) 0.0387(12) Uani 1 1 d .
H24 H 0.3958 0.1251 0.6643 0.046 Uiso 1 1 calc R
C25 C 0.6423(3) -0.0277(4) 0.6066(2) 0.0380(12) Uani 1 1 d .
C26 C 0.7148(3) -0.0401(5) 0.6026(2) 0.0510(15) Uani 1 1 d .
H26A H 0.7260 0.0061 0.5762 0.077 Uiso 1 1 calc R
H26B H 0.7239 -0.1143 0.5948 0.077 Uiso 1 1 calc R
H26C H 0.7420 -0.0204 0.6341 0.077 Uiso 1 1 calc R
C27 C 0.5213(2) 0.1962(4) 0.6042(2) 0.0376(12) Uani 1 1 d .
C28 C 0.5209(3) 0.3160(4) 0.6007(3) 0.0538(16) Uani 1 1 d .
H28A H 0.5294 0.3464 0.6341 0.081 Uiso 1 1 calc R
H28B H 0.4773 0.3400 0.5838 0.081 Uiso 1 1 calc R
H28C H 0.5557 0.3392 0.5820 0.081 Uiso 1 1 calc R
Pd3 Pd 0.608047(18) 0.72257(3) 0.939339(14) 0.03039(10) Uani 1 1 d .
Pd4 Pd 0.59706(2) 0.69208(4) 0.834658(15) 0.03835(12) Uani 1 1 d .
O5 O 0.70354(18) 0.7452(3) 0.93040(15) 0.0459(10) Uani 1 1 d .
O6 O 0.6974(2) 0.7050(4) 0.84903(17) 0.0666(13) Uani 1 1 d .
O7 O 0.62058(17) 0.5625(3) 0.94098(13) 0.0381(9) Uani 1 1 d .
O8 O 0.6039(2) 0.5397(4) 0.85716(17) 0.0645(12) Uani 1 1 d .
N5 N 0.58679(19) 0.8791(3) 0.93745(15) 0.0305(9) Uani 1 1 d .
N6 N 0.5129(2) 0.7136(3) 0.95058(15) 0.0297(9) Uani 1 1 d .
N7 N 0.5842(2) 0.8445(4) 0.81140(15) 0.0394(11) Uani 1 1 d .
N8 N 0.4957(2) 0.6957(4) 0.82367(16) 0.0398(11) Uani 1 1 d .
C29 C 0.6273(3) 0.9615(4) 0.93195(19) 0.0363(12) Uani 1 1 d .
H29 H 0.6731 0.9486 0.9310 0.044 Uiso 1 1 calc R
C30 C 0.6031(3) 1.0657(4) 0.9277(2) 0.0416(13) Uani 1 1 d .
H30 H 0.6326 1.1225 0.9237 0.050 Uiso 1 1 calc R
C31 C 0.5374(3) 1.0865(4) 0.92920(19) 0.0384(12) Uani 1 1 d .
H31 H 0.5210 1.1573 0.9256 0.046 Uiso 1 1 calc R
C32 C 0.4940(2) 1.0020(4) 0.93623(18) 0.0338(11) Uani 1 1 d .
C33 C 0.5218(2) 0.8993(4) 0.93982(17) 0.0264(10) Uani 1 1 d .
C34 C 0.4247(3) 1.0139(4) 0.94038(19) 0.0382(12) Uani 1 1 d .
H34 H 0.4049 1.0825 0.9372 0.046 Uiso 1 1 calc R
C35 C 0.3869(3) 0.9280(4) 0.94876(19) 0.0377(12) Uani 1 1 d .
H35 H 0.3413 0.9378 0.9517 0.045 Uiso 1 1 calc R
C36 C 0.4148(2) 0.8236(4) 0.95319(18) 0.0325(11) Uani 1 1 d .
C37 C 0.4817(2) 0.8105(4) 0.94790(17) 0.0284(10) Uani 1 1 d .
C38 C 0.3805(3) 0.7319(5) 0.9640(2) 0.0427(14) Uani 1 1 d .
H38 H 0.3353 0.7368 0.9688 0.051 Uiso 1 1 calc R
C39 C 0.4123(3) 0.6347(5) 0.9675(2) 0.0474(15) Uani 1 1 d .
H39 H 0.3893 0.5725 0.9751 0.057 Uiso 1 1 calc R
C40 C 0.4786(3) 0.6285(4) 0.9598(2) 0.0390(13) Uani 1 1 d .
H40 H 0.4997 0.5610 0.9613 0.047 Uiso 1 1 calc R
C41 C 0.6309(3) 0.9164(5) 0.8046(2) 0.0518(16) Uani 1 1 d .
H41 H 0.6764 0.8957 0.8088 0.062 Uiso 1 1 calc R
C42 C 0.6134(4) 1.0203(6) 0.7914(2) 0.0609(18) Uani 1 1 d .
H42 H 0.6471 1.0691 0.7856 0.073 Uiso 1 1 calc R
C43 C 0.5490(4) 1.0538(5) 0.7868(2) 0.0547(17) Uani 1 1 d .
H43 H 0.5379 1.1258 0.7786 0.066 Uiso 1 1 calc R
C44 C 0.4984(3) 0.9798(5) 0.79414(19) 0.0447(14) Uani 1 1 d .
C45 C 0.5191(3) 0.8750(4) 0.80616(17) 0.0360(12) Uani 1 1 d .
C46 C 0.4290(3) 1.0038(5) 0.7906(2) 0.0517(16) Uani 1 1 d .
H46 H 0.4143 1.0745 0.7832 0.062 Uiso 1 1 calc R
C47 C 0.3834(3) 0.9285(5) 0.7975(2) 0.0521(16) Uani 1 1 d .
H47 H 0.3376 0.9472 0.7948 0.062 Uiso 1 1 calc R
C48 C 0.4039(3) 0.8205(5) 0.8091(2) 0.0452(14) Uani 1 1 d .
C49 C 0.4711(3) 0.7952(4) 0.81275(17) 0.0353(12) Uani 1 1 d .
C50 C 0.3600(3) 0.7363(6) 0.8156(2) 0.0605(18) Uani 1 1 d .
H50 H 0.3134 0.7489 0.8125 0.073 Uiso 1 1 calc R
C51 C 0.3847(3) 0.6372(6) 0.8264(3) 0.0640(19) Uani 1 1 d .
H51 H 0.3553 0.5806 0.8312 0.077 Uiso 1 1 calc R
C52 C 0.4525(3) 0.6183(5) 0.8304(2) 0.0489(15) Uani 1 1 d .
H52 H 0.4689 0.5486 0.8380 0.059 Uiso 1 1 calc R
C53 C 0.7298(3) 0.7298(5) 0.8912(2) 0.0413(13) Uani 1 1 d .
C54 C 0.8041(3) 0.7460(6) 0.8967(3) 0.0608(18) Uani 1 1 d .
H54A H 0.8254 0.7171 0.9285 0.091 Uiso 1 1 calc R
H54B H 0.8139 0.8222 0.8953 0.091 Uiso 1 1 calc R
H54C H 0.8215 0.7093 0.8698 0.091 Uiso 1 1 calc R
C55 C 0.6158(2) 0.5040(4) 0.90181(19) 0.0342(12) Uani 1 1 d .
C56 C 0.6244(3) 0.3869(4) 0.9103(2) 0.0440(14) Uani 1 1 d .
H56A H 0.6302 0.3520 0.8792 0.066 Uiso 1 1 calc R
H56B H 0.5848 0.3580 0.9220 0.066 Uiso 1 1 calc R
H56C H 0.6638 0.3740 0.9352 0.066 Uiso 1 1 calc R
S1 S 0.69338(9) 0.42417(13) 0.74660(6) 0.0548(4) Uani 1 1 d .
O9 O 0.6259(3) 0.4370(4) 0.7601(2) 0.0797(15) Uani 1 1 d .
O10 O 0.7444(3) 0.4809(4) 0.7777(2) 0.0891(18) Uani 1 1 d .
O11 O 0.6959(3) 0.4313(4) 0.69512(16) 0.0781(15) Uani 1 1 d .
C57 C 0.7071(3) 0.2898(4) 0.76178(19) 0.0402(13) Uani 1 1 d .
F1 F 0.7712(2) 0.2592(4) 0.7563(2) 0.0958(15) Uani 1 1 d .
F2 F 0.6693(2) 0.2218(3) 0.73263(16) 0.0807(12) Uani 1 1 d .
F3 F 0.7017(3) 0.2664(4) 0.80871(15) 0.0866(14) Uani 1 1 d .
S2 S 0.40234(7) 0.35363(10) 0.90976(5) 0.0376(3) Uani 1 1 d .
O12 O 0.3941(3) 0.2677(3) 0.94239(17) 0.0691(14) Uani 1 1 d .
O13 O 0.3469(2) 0.4274(3) 0.90216(16) 0.0556(11) Uani 1 1 d .
O14 O 0.4663(2) 0.4027(4) 0.91634(18) 0.0640(13) Uani 1 1 d .
C58 C 0.3973(4) 0.2899(6) 0.8501(2) 0.0609(18) Uani 1 1 d .
F4 F 0.3981(3) 0.3624(4) 0.81481(16) 0.114(2) Uani 1 1 d .
F5 F 0.3420(2) 0.2352(4) 0.83821(19) 0.1043(18) Uani 1 1 d .
F6 F 0.4478(2) 0.2245(4) 0.84813(15) 0.0850(14) Uani 1 1 d .
S3 S 0.29659(7) 0.38269(11) 0.47587(5) 0.0385(3) Uani 1 1 d .
O15 O 0.2748(3) 0.4835(4) 0.49049(18) 0.0826(17) Uani 1 1 d .
O16 O 0.2457(2) 0.3012(4) 0.47164(19) 0.0736(15) Uani 1 1 d .
O17 O 0.36179(19) 0.3504(3) 0.49888(14) 0.0492(10) Uani 1 1 d .
C59 C 0.3063(3) 0.4041(5) 0.4119(2) 0.0421(13) Uani 1 1 d .
F7 F 0.35327(19) 0.4757(4) 0.40837(18) 0.0924(16) Uani 1 1 d .
F8 F 0.24980(16) 0.4371(3) 0.38467(12) 0.0597(10) Uani 1 1 d .
F9 F 0.3254(2) 0.3168(4) 0.39146(14) 0.0858(14) Uani 1 1 d .
S4 S 0.33123(7) 0.36503(12) 0.69798(6) 0.0464(4) Uani 1 1 d .
O18 O 0.2876(3) 0.4434(4) 0.7124(2) 0.0793(15) Uani 1 1 d .
O19 O 0.3997(2) 0.3951(4) 0.70739(17) 0.0615(12) Uani 1 1 d .
O20 O 0.3173(3) 0.2576(4) 0.70940(17) 0.0723(14) Uani 1 1 d .
C60 C 0.3144(3) 0.3667(5) 0.6310(2) 0.0517(15) Uani 1 1 d .
F10 F 0.2520(3) 0.3403(5) 0.61420(18) 0.1158(19) Uani 1 1 d .
F11 F 0.3252(3) 0.4617(3) 0.61290(15) 0.0921(15) Uani 1 1 d .
F12 F 0.3529(3) 0.2973(4) 0.61176(15) 0.0908(15) Uani 1 1 d .
O21 O 0.5184(3) 0.2876(4) 0.73414(19) 0.0784(15) Uani 1 1 d .
H21A H 0.5247 0.2286 0.7169 0.094 Uiso 1 1 d R
H21B H 0.4785 0.2999 0.7435 0.094 Uiso 1 1 d R
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'
O O 0.0106 0.0060 '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'
S S 0.1246 0.1234 '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
N2 Pd1 O1 175.37(16) .
N2 Pd1 N1 82.21(16) .
O1 Pd1 N1 93.38(16) .
N2 Pd1 O3 93.16(16) .
O1 Pd1 O3 91.26(15) .
N1 Pd1 O3 175.33(15) .
N2 Pd1 Pd2 100.30(12) .
O1 Pd1 Pd2 81.56(10) .
N1 Pd1 Pd2 96.61(11) .
O3 Pd1 Pd2 83.60(10) .
N2 Pd1 Pd1 86.93(12) 3_656
O1 Pd1 Pd1 91.82(10) 3_656
N1 Pd1 Pd1 92.00(11) 3_656
O3 Pd1 Pd1 88.31(10) 3_656
Pd2 Pd1 Pd1 169.41(2) 3_656
O2 Pd2 O4 90.67(18) .
O2 Pd2 N4 173.07(17) .
O4 Pd2 N4 94.67(16) .
O2 Pd2 N3 93.07(18) .
O4 Pd2 N3 176.24(18) .
N4 Pd2 N3 81.62(17) .
O2 Pd2 Pd1 81.66(12) .
O4 Pd2 Pd1 79.61(13) .
N4 Pd2 Pd1 94.94(11) .
N3 Pd2 Pd1 101.22(12) .
C25 O1 Pd1 125.4(3) .
C25 O2 Pd2 124.6(4) .
C27 O3 Pd1 122.2(3) .
C27 O4 Pd2 127.4(4) .
C1 N1 C5 118.5(4) .
C1 N1 Pd1 129.4(4) .
C5 N1 Pd1 112.0(3) .
C12 N2 C9 118.6(4) .
C12 N2 Pd1 129.0(4) .
C9 N2 Pd1 112.4(3) .
C13 N3 C17 118.4(5) .
C13 N3 Pd2 129.3(4) .
C17 N3 Pd2 112.2(3) .
C24 N4 C21 118.0(4) .
C24 N4 Pd2 129.6(4) .
C21 N4 Pd2 112.2(3) .
N1 C1 C2 121.4(5) .
N1 C1 H1 119.3 .
C2 C1 H1 119.3 .
C3 C2 C1 120.9(5) .
C3 C2 H2 119.5 .
C1 C2 H2 119.5 .
C2 C3 C4 118.8(5) .
C2 C3 H3 120.6 .
C4 C3 H3 120.6 .
C5 C4 C3 116.9(5) .
C5 C4 C6 118.5(5) .
C3 C4 C6 124.7(5) .
N1 C5 C4 123.4(5) .
N1 C5 C9 116.2(4) .
C4 C5 C9 120.4(5) .
C7 C6 C4 121.2(5) .
C7 C6 H6 119.4 .
C4 C6 H6 119.4 .
C6 C7 C8 121.3(5) .
C6 C7 H7 119.4 .
C8 C7 H7 119.4 .
C9 C8 C10 115.9(5) .
C9 C8 C7 118.4(5) .
C10 C8 C7 125.6(5) .
N2 C9 C8 123.4(5) .
N2 C9 C5 116.5(4) .
C8 C9 C5 120.0(5) .
C11 C10 C8 120.0(5) .
C11 C10 H10 120.0 .
C8 C10 H10 120.0 .
C10 C11 C12 120.7(5) .
C10 C11 H11 119.7 .
C12 C11 H11 119.7 .
N2 C12 C11 121.3(5) .
N2 C12 H12 119.4 .
C11 C12 H12 119.4 .
N3 C13 C14 121.5(7) .
N3 C13 H13 119.3 .
C14 C13 H13 119.3 .
C15 C14 C13 120.2(6) .
C15 C14 H14 119.9 .
C13 C14 H14 119.9 .
C14 C15 C16 120.6(6) .
C14 C15 H15 119.7 .
C16 C15 H15 119.7 .
C17 C16 C15 116.0(6) .
C17 C16 C18 118.2(6) .
C15 C16 C18 125.8(6) .
N3 C17 C16 123.3(5) .
N3 C17 C21 117.0(5) .
C16 C17 C21 119.7(5) .
C19 C18 C16 122.0(6) .
C19 C18 H18 119.0 .
C16 C18 H18 119.0 .
C18 C19 C20 121.9(7) .
C18 C19 H19 119.1 .
C20 C19 H19 119.1 .
C22 C20 C21 118.0(5) .
C22 C20 C19 125.0(6) .
C21 C20 C19 117.0(6) .
N4 C21 C20 122.4(5) .
N4 C21 C17 116.4(5) .
C20 C21 C17 121.2(5) .
C23 C22 C20 118.5(6) .
C23 C22 H22 120.7 .
C20 C22 H22 120.7 .
C22 C23 C24 121.2(6) .
C22 C23 H23 119.4 .
C24 C23 H23 119.4 .
N4 C24 C23 121.8(5) .
N4 C24 H24 119.1 .
C23 C24 H24 119.1 .
O1 C25 O2 124.8(5) .
O1 C25 C26 115.3(5) .
O2 C25 C26 119.9(5) .
C25 C26 H26A 109.5 .
C25 C26 H26B 109.5 .
H26A C26 H26B 109.5 .
C25 C26 H26C 109.5 .
H26A C26 H26C 109.5 .
H26B C26 H26C 109.5 .
O3 C27 O4 125.0(5) .
O3 C27 C28 115.4(5) .
O4 C27 C28 119.5(5) .
C27 C28 H28A 109.5 .
C27 C28 H28B 109.5 .
H28A C28 H28B 109.5 .
C27 C28 H28C 109.5 .
H28A C28 H28C 109.5 .
H28B C28 H28C 109.5 .
N6 Pd3 O5 174.78(16) .
N6 Pd3 N5 81.45(15) .
O5 Pd3 N5 93.74(16) .
N6 Pd3 O7 93.51(15) .
O5 Pd3 O7 91.33(15) .
N5 Pd3 O7 174.86(15) .
N6 Pd3 Pd4 102.67(12) .
O5 Pd3 Pd4 79.83(11) .
N5 Pd3 Pd4 97.03(12) .
O7 Pd3 Pd4 83.06(10) .
O8 Pd4 O6 89.9(2) .
O8 Pd4 N7 176.57(19) .
O6 Pd4 N7 93.6(2) .
O8 Pd4 N8 94.97(19) .
O6 Pd4 N8 173.5(2) .
N7 Pd4 N8 81.61(18) .
O8 Pd4 Pd3 80.25(13) .
O6 Pd4 Pd3 82.87(13) .
N7 Pd4 Pd3 100.00(12) .
N8 Pd4 Pd3 93.66(12) .
C53 O5 Pd3 127.8(4) .
C53 O6 Pd4 123.9(4) .
C55 O7 Pd3 123.7(3) .
C55 O8 Pd4 128.0(4) .
C29 N5 C33 118.4(4) .
C29 N5 Pd3 128.6(3) .
C33 N5 Pd3 112.9(3) .
C40 N6 C37 118.5(4) .
C40 N6 Pd3 128.6(4) .
C37 N6 Pd3 112.9(3) .
C41 N7 C45 119.3(5) .
C41 N7 Pd4 128.5(4) .
C45 N7 Pd4 112.1(4) .
C52 N8 C49 118.1(5) .
C52 N8 Pd4 129.2(4) .
C49 N8 Pd4 112.4(4) .
N5 C29 C30 121.3(5) .
N5 C29 H29 119.4 .
C30 C29 H29 119.4 .
C31 C30 C29 120.6(5) .
C31 C30 H30 119.7 .
C29 C30 H30 119.7 .
C30 C31 C32 119.5(5) .
C30 C31 H31 120.2 .
C32 C31 H31 120.2 .
C33 C32 C31 116.6(5) .
C33 C32 C34 118.6(5) .
C31 C32 C34 124.9(5) .
N5 C33 C32 123.6(4) .
N5 C33 C37 116.4(4) .
C32 C33 C37 119.9(4) .
C35 C34 C32 120.9(5) .
C35 C34 H34 119.6 .
C32 C34 H34 119.6 .
C34 C35 C36 121.1(5) .
C34 C35 H35 119.5 .
C36 C35 H35 119.5 .
C37 C36 C38 116.6(5) .
C37 C36 C35 118.6(5) .
C38 C36 C35 124.8(5) .
N6 C37 C36 123.2(4) .
N6 C37 C33 115.9(4) .
C36 C37 C33 120.9(4) .
C39 C38 C36 120.2(5) .
C39 C38 H38 119.9 .
C36 C38 H38 119.9 .
C38 C39 C40 119.3(5) .
C38 C39 H39 120.3 .
C40 C39 H39 120.3 .
N6 C40 C39 122.2(5) .
N6 C40 H40 118.9 .
C39 C40 H40 118.9 .
N7 C41 C42 120.9(6) .
N7 C41 H41 119.6 .
C42 C41 H41 119.6 .
C43 C42 C41 121.3(6) .
C43 C42 H42 119.4 .
C41 C42 H42 119.4 .
C42 C43 C44 119.2(6) .
C42 C43 H43 120.4 .
C44 C43 H43 120.4 .
C45 C44 C43 116.7(6) .
C45 C44 C46 118.0(6) .
C43 C44 C46 125.3(6) .
N7 C45 C44 122.6(5) .
N7 C45 C49 117.2(5) .
C44 C45 C49 120.1(5) .
C47 C46 C44 122.0(6) .
C47 C46 H46 119.0 .
C44 C46 H46 119.0 .
C46 C47 C48 120.5(6) .
C46 C47 H47 119.8 .
C48 C47 H47 119.8 .
C49 C48 C50 116.8(6) .
C49 C48 C47 118.6(6) .
C50 C48 C47 124.6(6) .
N8 C49 C48 123.2(5) .
N8 C49 C45 116.0(5) .
C48 C49 C45 120.8(5) .
C51 C50 C48 119.7(6) .
C51 C50 H50 120.1 .
C48 C50 H50 120.1 .
C50 C51 C52 120.2(6) .
C50 C51 H51 119.9 .
C52 C51 H51 119.9 .
N8 C52 C51 121.9(6) .
N8 C52 H52 119.1 .
C51 C52 H52 119.1 .
O6 C53 O5 124.8(5) .
O6 C53 C54 119.4(5) .
O5 C53 C54 115.9(5) .
C53 C54 H54A 109.5 .
C53 C54 H54B 109.5 .
H54A C54 H54B 109.5 .
C53 C54 H54C 109.5 .
H54A C54 H54C 109.5 .
H54B C54 H54C 109.5 .
O8 C55 O7 124.5(5) .
O8 C55 C56 119.3(5) .
O7 C55 C56 116.2(5) .
C55 C56 H56A 109.5 .
C55 C56 H56B 109.5 .
H56A C56 H56B 109.5 .
C55 C56 H56C 109.5 .
H56A C56 H56C 109.5 .
H56B C56 H56C 109.5 .
O11 S1 O10 115.1(4) .
O11 S1 O9 114.7(3) .
O10 S1 O9 114.3(4) .
O11 S1 C57 105.5(3) .
O10 S1 C57 105.5(3) .
O9 S1 C57 99.5(3) .
F2 C57 F3 107.9(5) .
F2 C57 F1 102.7(5) .
F3 C57 F1 105.1(5) .
F2 C57 S1 115.1(4) .
F3 C57 S1 114.0(4) .
F1 C57 S1 111.0(4) .
O14 S2 O12 116.3(3) .
O14 S2 O13 114.4(3) .
O12 S2 O13 114.3(3) .
O14 S2 C58 103.2(3) .
O12 S2 C58 103.5(3) .
O13 S2 C58 102.8(3) .
F5 C58 F6 107.6(6) .
F5 C58 F4 106.5(6) .
F6 C58 F4 107.5(6) .
F5 C58 S2 112.4(5) .
F6 C58 S2 112.2(4) .
F4 C58 S2 110.2(5) .
O15 S3 O17 115.8(3) .
O15 S3 O16 113.9(3) .
O17 S3 O16 115.6(3) .
O15 S3 C59 103.0(3) .
O17 S3 C59 103.6(2) .
O16 S3 C59 102.2(3) .
F9 C59 F7 105.8(5) .
F9 C59 F8 107.9(5) .
F7 C59 F8 108.2(5) .
F9 C59 S3 111.7(4) .
F7 C59 S3 111.1(4) .
F8 C59 S3 111.9(4) .
O18 S4 O19 113.5(3) .
O18 S4 O20 116.3(3) .
O19 S4 O20 115.7(3) .
O18 S4 C60 104.2(3) .
O19 S4 C60 101.8(3) .
O20 S4 C60 102.7(3) .
F10 C60 F11 107.7(6) .
F10 C60 F12 106.8(6) .
F11 C60 F12 107.6(6) .
F10 C60 S4 111.6(5) .
F11 C60 S4 111.8(5) .
F12 C60 S4 111.2(4) .
H21A O21 H21B 120.0 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 N2 2.000(4) .
Pd1 O1 2.007(3) .
Pd1 N1 2.014(4) .
Pd1 O3 2.021(4) .
Pd1 Pd2 2.8548(9) .
Pd1 Pd1 3.0996(11) 3_656
Pd2 O2 2.013(4) .
Pd2 O4 2.016(4) .
Pd2 N4 2.032(4) .
Pd2 N3 2.034(4) .
O1 C25 1.282(6) .
O2 C25 1.308(7) .
O3 C27 1.286(7) .
O4 C27 1.299(7) .
N1 C1 1.326(6) .
N1 C5 1.370(6) .
N2 C12 1.333(6) .
N2 C9 1.366(6) .
N3 C13 1.336(7) .
N3 C17 1.368(7) .
N4 C24 1.334(6) .
N4 C21 1.378(6) .
C1 C2 1.397(8) .
C1 H1 0.9500 .
C2 C3 1.372(8) .
C2 H2 0.9500 .
C3 C4 1.415(7) .
C3 H3 0.9500 .
C4 C5 1.397(7) .
C4 C6 1.437(8) .
C5 C9 1.425(7) .
C6 C7 1.346(8) .
C6 H6 0.9500 .
C7 C8 1.434(8) .
C7 H7 0.9500 .
C8 C9 1.405(7) .
C8 C10 1.420(8) .
C10 C11 1.353(8) .
C10 H10 0.9500 .
C11 C12 1.400(7) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C13 C14 1.407(10) .
C13 H13 0.9500 .
C14 C15 1.347(11) .
C14 H14 0.9500 .
C15 C16 1.416(9) .
C15 H15 0.9500 .
C16 C17 1.408(8) .
C16 C18 1.432(10) .
C17 C21 1.423(7) .
C18 C19 1.328(10) .
C18 H18 0.9500 .
C19 C20 1.446(9) .
C19 H19 0.9500 .
C20 C22 1.403(9) .
C20 C21 1.408(8) .
C22 C23 1.366(9) .
C22 H22 0.9500 .
C23 C24 1.395(8) .
C23 H23 0.9500 .
C24 H24 0.9500 .
C25 C26 1.501(7) .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 C28 1.510(7) .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
Pd3 N6 2.006(4) .
Pd3 O5 2.011(4) .
Pd3 N5 2.014(4) .
Pd3 O7 2.029(4) .
Pd3 Pd4 2.8634(10) .
Pd4 O8 2.011(5) .
Pd4 O6 2.019(5) .
Pd4 N7 2.024(5) .
Pd4 N8 2.033(5) .
O5 C53 1.284(7) .
O6 C53 1.275(7) .
O7 C55 1.291(6) .
O8 C55 1.288(6) .
N5 C29 1.346(6) .
N5 C33 1.354(6) .
N6 C40 1.323(6) .
N6 C37 1.370(6) .
N7 C41 1.343(7) .
N7 C45 1.362(7) .
N8 C52 1.342(7) .
N8 C49 1.364(7) .
C29 C30 1.398(8) .
C29 H29 0.9500 .
C30 C31 1.366(7) .
C30 H30 0.9500 .
C31 C32 1.413(7) .
C31 H31 0.9500 .
C32 C33 1.407(7) .
C32 C34 1.436(7) .
C33 C37 1.420(7) .
C34 C35 1.365(8) .
C34 H34 0.9500 .
C35 C36 1.428(7) .
C35 H35 0.9500 .
C36 C37 1.397(7) .
C36 C38 1.403(7) .
C38 C39 1.379(8) .
C38 H38 0.9500 .
C39 C40 1.396(7) .
C39 H39 0.9500 .
C40 H40 0.9500 .
C41 C42 1.388(9) .
C41 H41 0.9500 .
C42 C43 1.361(9) .
C42 H42 0.9500 .
C43 C44 1.424(9) .
C43 H43 0.9500 .
C44 C45 1.407(7) .
C44 C46 1.428(9) .
C45 C49 1.430(8) .
C46 C47 1.358(9) .
C46 H46 0.9500 .
C47 C48 1.442(8) .
C47 H47 0.9500 .
C48 C49 1.388(8) .
C48 C50 1.414(9) .
C50 C51 1.358(9) .
C50 H50 0.9500 .
C51 C52 1.383(8) .
C51 H51 0.9500 .
C52 H52 0.9500 .
C53 C54 1.507(8) .
C54 H54A 0.9800 .
C54 H54B 0.9800 .
C54 H54C 0.9800 .
C55 C56 1.497(7) .
C56 H56A 0.9800 .
C56 H56B 0.9800 .
C56 H56C 0.9800 .
S1 O11 1.420(4) .
S1 O10 1.424(5) .
S1 O9 1.482(5) .
S1 C57 1.752(6) .
C57 F2 1.329(7) .
C57 F3 1.339(6) .
C57 F1 1.388(7) .
S2 O14 1.423(4) .
S2 O12 1.429(5) .
S2 O13 1.448(4) .
S2 C58 1.807(7) .
C58 F5 1.313(8) .
C58 F6 1.321(7) .
C58 F4 1.330(8) .
S3 O15 1.420(5) .
S3 O17 1.433(4) .
S3 O16 1.447(5) .
S3 C59 1.811(6) .
C59 F9 1.318(7) .
C59 F7 1.327(7) .
C59 F8 1.332(6) .
S4 O18 1.421(5) .
S4 O19 1.424(4) .
S4 O20 1.425(5) .
S4 C60 1.812(6) .
C60 F10 1.320(7) .
C60 F11 1.325(7) .
C60 F12 1.333(8) .
O21 H21A 0.8998 .
O21 H21B 0.9000 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O21 H21A O4 0.90 2.14 2.952(7) 149.4
O21 H21B O19 0.90 2.12 2.761(7) 127.9
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
N2 Pd1 Pd2 O2 -174.25(18) .
O1 Pd1 Pd2 O2 10.05(17) .
N1 Pd1 Pd2 O2 102.50(17) .
O3 Pd1 Pd2 O2 -82.19(17) .
Pd1 Pd1 Pd2 O2 -41.76(18) 3_656
N2 Pd1 Pd2 O4 -82.02(17) .
O1 Pd1 Pd2 O4 102.28(17) .
N1 Pd1 Pd2 O4 -165.26(17) .
O3 Pd1 Pd2 O4 10.04(16) .
Pd1 Pd1 Pd2 O4 50.47(17) 3_656
N2 Pd1 Pd2 N4 11.83(16) .
O1 Pd1 Pd2 N4 -163.87(16) .
N1 Pd1 Pd2 N4 -71.41(16) .
O3 Pd1 Pd2 N4 103.89(15) .
Pd1 Pd1 Pd2 N4 144.32(16) 3_656
N2 Pd1 Pd2 N3 94.25(18) .
O1 Pd1 Pd2 N3 -81.45(18) .
N1 Pd1 Pd2 N3 11.00(17) .
O3 Pd1 Pd2 N3 -173.69(17) .
Pd1 Pd1 Pd2 N3 -133.26(18) 3_656
N2 Pd1 O1 C25 -127.3(19) .
N1 Pd1 O1 C25 -109.5(4) .
O3 Pd1 O1 C25 70.0(4) .
Pd2 Pd1 O1 C25 -13.3(4) .
Pd1 Pd1 O1 C25 158.4(4) 3_656
O4 Pd2 O2 C25 -90.7(5) .
N4 Pd2 O2 C25 49.7(16) .
N3 Pd2 O2 C25 89.6(5) .
Pd1 Pd2 O2 C25 -11.3(4) .
N2 Pd1 O3 C27 86.6(4) .
O1 Pd1 O3 C27 -94.8(4) .
N1 Pd1 O3 C27 79.5(19) .
Pd2 Pd1 O3 C27 -13.4(4) .
Pd1 Pd1 O3 C27 173.4(4) 3_656
O2 Pd2 O4 C27 70.2(5) .
N4 Pd2 O4 C27 -105.4(4) .
N3 Pd2 O4 C27 -114(3) .
Pd1 Pd2 O4 C27 -11.2(4) .
N2 Pd1 N1 C1 175.4(5) .
O1 Pd1 N1 C1 -3.2(5) .
O3 Pd1 N1 C1 -177(20) .
Pd2 Pd1 N1 C1 -85.1(4) .
Pd1 Pd1 N1 C1 88.8(4) 3_656
N2 Pd1 N1 C5 -7.1(3) .
O1 Pd1 N1 C5 174.4(3) .
O3 Pd1 N1 C5 0(2) .
Pd2 Pd1 N1 C5 92.5(3) .
Pd1 Pd1 N1 C5 -93.7(3) 3_656
O1 Pd1 N2 C12 -157.1(18) .
N1 Pd1 N2 C12 -175.1(5) .
O3 Pd1 N2 C12 5.5(4) .
Pd2 Pd1 N2 C12 89.6(4) .
Pd1 Pd1 N2 C12 -82.6(4) 3_656
O1 Pd1 N2 C9 25(2) .
N1 Pd1 N2 C9 7.0(3) .
O3 Pd1 N2 C9 -172.4(3) .
Pd2 Pd1 N2 C9 -88.3(3) .
Pd1 Pd1 N2 C9 99.5(3) 3_656
O2 Pd2 N3 C13 7.4(5) .
O4 Pd2 N3 C13 -168(3) .
N4 Pd2 N3 C13 -177.1(5) .
Pd1 Pd2 N3 C13 89.5(5) .
O2 Pd2 N3 C17 -169.3(3) .
O4 Pd2 N3 C17 15(3) .
N4 Pd2 N3 C17 6.2(3) .
Pd1 Pd2 N3 C17 -87.2(3) .
O2 Pd2 N4 C24 -141.1(13) .
O4 Pd2 N4 C24 -0.9(5) .
N3 Pd2 N4 C24 178.5(5) .
Pd1 Pd2 N4 C24 -80.8(4) .
O2 Pd2 N4 C21 33.6(15) .
O4 Pd2 N4 C21 173.8(3) .
N3 Pd2 N4 C21 -6.8(3) .
Pd1 Pd2 N4 C21 93.9(3) .
C5 N1 C1 C2 -0.3(8) .
Pd1 N1 C1 C2 177.1(4) .
N1 C1 C2 C3 -2.0(9) .
C1 C2 C3 C4 2.4(9) .
C2 C3 C4 C5 -0.7(8) .
C2 C3 C4 C6 178.8(5) .
C1 N1 C5 C4 2.1(7) .
Pd1 N1 C5 C4 -175.7(4) .
C1 N1 C5 C9 -176.2(4) .
Pd1 N1 C5 C9 6.0(5) .
C3 C4 C5 N1 -1.6(8) .
C6 C4 C5 N1 178.9(5) .
C3 C4 C5 C9 176.7(5) .
C6 C4 C5 C9 -2.8(7) .
C5 C4 C6 C7 2.9(8) .
C3 C4 C6 C7 -176.6(6) .
C4 C6 C7 C8 0.0(9) .
C6 C7 C8 C9 -3.0(8) .
C6 C7 C8 C10 176.2(6) .
C12 N2 C9 C8 -2.4(7) .
Pd1 N2 C9 C8 175.8(4) .
C12 N2 C9 C5 176.0(4) .
Pd1 N2 C9 C5 -5.9(5) .
C10 C8 C9 N2 2.0(8) .
C7 C8 C9 N2 -178.8(5) .
C10 C8 C9 C5 -176.3(5) .
C7 C8 C9 C5 3.0(7) .
N1 C5 C9 N2 -0.1(6) .
C4 C5 C9 N2 -178.5(4) .
N1 C5 C9 C8 178.3(4) .
C4 C5 C9 C8 -0.1(7) .
C9 C8 C10 C11 0.3(8) .
C7 C8 C10 C11 -178.9(6) .
C8 C10 C11 C12 -2.0(9) .
C9 N2 C12 C11 0.5(7) .
Pd1 N2 C12 C11 -177.3(4) .
C10 C11 C12 N2 1.7(9) .
C17 N3 C13 C14 0.1(8) .
Pd2 N3 C13 C14 -176.5(4) .
N3 C13 C14 C15 0.0(10) .
C13 C14 C15 C16 0.3(10) .
C14 C15 C16 C17 -0.7(9) .
C14 C15 C16 C18 179.4(6) .
C13 N3 C17 C16 -0.5(8) .
Pd2 N3 C17 C16 176.6(4) .
C13 N3 C17 C21 178.3(5) .
Pd2 N3 C17 C21 -4.6(6) .
C15 C16 C17 N3 0.8(8) .
C18 C16 C17 N3 -179.3(5) .
C15 C16 C17 C21 -177.9(5) .
C18 C16 C17 C21 1.9(8) .
C17 C16 C18 C19 -0.4(10) .
C15 C16 C18 C19 179.5(7) .
C16 C18 C19 C20 -1.0(11) .
C18 C19 C20 C22 -177.4(7) .
C18 C19 C20 C21 0.8(10) .
C24 N4 C21 C20 1.5(7) .
Pd2 N4 C21 C20 -173.9(4) .
C24 N4 C21 C17 -178.3(4) .
Pd2 N4 C21 C17 6.3(5) .
C22 C20 C21 N4 -0.7(8) .
C19 C20 C21 N4 -179.0(5) .
C22 C20 C21 C17 179.1(5) .
C19 C20 C21 C17 0.8(8) .
N3 C17 C21 N4 -1.2(7) .
C16 C17 C21 N4 177.7(5) .
N3 C17 C21 C20 179.0(5) .
C16 C17 C21 C20 -2.1(8) .
C21 C20 C22 C23 0.4(9) .
C19 C20 C22 C23 178.6(6) .
C20 C22 C23 C24 -0.9(10) .
C21 N4 C24 C23 -2.1(8) .
Pd2 N4 C24 C23 172.4(4) .
C22 C23 C24 N4 1.8(9) .
Pd1 O1 C25 O2 9.6(8) .
Pd1 O1 C25 C26 -172.1(4) .
Pd2 O2 C25 O1 5.5(8) .
Pd2 O2 C25 C26 -172.7(4) .
Pd1 O3 C27 O4 10.1(7) .
Pd1 O3 C27 C28 -169.2(4) .
Pd2 O4 C27 O3 4.9(8) .
Pd2 O4 C27 C28 -175.9(4) .
N6 Pd3 Pd4 O8 -87.54(18) .
O5 Pd3 Pd4 O8 97.14(18) .
N5 Pd3 Pd4 O8 -170.31(17) .
O7 Pd3 Pd4 O8 4.52(17) .
N6 Pd3 Pd4 O6 -178.63(19) .
O5 Pd3 Pd4 O6 6.04(19) .
N5 Pd3 Pd4 O6 98.60(18) .
O7 Pd3 Pd4 O6 -86.58(18) .
N6 Pd3 Pd4 N7 88.99(18) .
O5 Pd3 Pd4 N7 -86.33(18) .
N5 Pd3 Pd4 N7 6.22(17) .
O7 Pd3 Pd4 N7 -178.95(17) .
N6 Pd3 Pd4 N8 6.88(17) .
O5 Pd3 Pd4 N8 -168.44(17) .
N5 Pd3 Pd4 N8 -75.89(17) .
O7 Pd3 Pd4 N8 98.94(16) .
N6 Pd3 O5 C53 -127.3(17) .
N5 Pd3 O5 C53 -104.8(5) .
O7 Pd3 O5 C53 74.4(5) .
Pd4 Pd3 O5 C53 -8.3(4) .
O8 Pd4 O6 C53 -87.0(5) .
N7 Pd4 O6 C53 92.8(5) .
N8 Pd4 O6 C53 51.1(18) .
Pd3 Pd4 O6 C53 -6.8(5) .
N6 Pd3 O7 C55 97.7(4) .
O5 Pd3 O7 C55 -84.2(4) .
N5 Pd3 O7 C55 86.7(17) .
Pd4 Pd3 O7 C55 -4.6(4) .
O6 Pd4 O8 C55 76.1(5) .
N7 Pd4 O8 C55 -101(3) .
N8 Pd4 O8 C55 -99.6(5) .
Pd3 Pd4 O8 C55 -6.7(4) .
N6 Pd3 N5 C29 177.9(5) .
O5 Pd3 N5 C29 0.0(4) .
O7 Pd3 N5 C29 -170.9(15) .
Pd4 Pd3 N5 C29 -80.2(4) .
N6 Pd3 N5 C33 -5.5(3) .
O5 Pd3 N5 C33 176.5(3) .
O7 Pd3 N5 C33 5.7(19) .
Pd4 Pd3 N5 C33 96.3(3) .
O5 Pd3 N6 C40 -153.0(16) .
N5 Pd3 N6 C40 -175.7(5) .
O7 Pd3 N6 C40 5.3(5) .
Pd4 Pd3 N6 C40 88.9(4) .
O5 Pd3 N6 C37 27(2) .
N5 Pd3 N6 C37 4.2(3) .
O7 Pd3 N6 C37 -174.8(3) .
Pd4 Pd3 N6 C37 -91.1(3) .
O8 Pd4 N7 C41 -177(22) .
O6 Pd4 N7 C41 6.2(5) .
N8 Pd4 N7 C41 -178.2(5) .
Pd3 Pd4 N7 C41 89.6(5) .
O8 Pd4 N7 C45 9(3) .
O6 Pd4 N7 C45 -168.7(3) .
N8 Pd4 N7 C45 7.0(3) .
Pd3 Pd4 N7 C45 -85.3(3) .
O8 Pd4 N8 C52 0.1(5) .
O6 Pd4 N8 C52 -137.8(15) .
N7 Pd4 N8 C52 -180.0(5) .
Pd3 Pd4 N8 C52 -80.4(5) .
O8 Pd4 N8 C49 173.0(3) .
O6 Pd4 N8 C49 35.1(17) .
N7 Pd4 N8 C49 -7.1(3) .
Pd3 Pd4 N8 C49 92.5(3) .
C33 N5 C29 C30 -1.3(7) .
Pd3 N5 C29 C30 175.1(4) .
N5 C29 C30 C31 0.3(8) .
C29 C30 C31 C32 1.4(8) .
C30 C31 C32 C33 -1.8(7) .
C30 C31 C32 C34 177.5(5) .
C29 N5 C33 C32 0.8(7) .
Pd3 N5 C33 C32 -176.2(4) .
C29 N5 C33 C37 -177.2(4) .
Pd3 N5 C33 C37 5.8(5) .
C31 C32 C33 N5 0.8(7) .
C34 C32 C33 N5 -178.6(4) .
C31 C32 C33 C37 178.7(4) .
C34 C32 C33 C37 -0.7(7) .
C33 C32 C34 C35 1.5(8) .
C31 C32 C34 C35 -177.8(5) .
C32 C34 C35 C36 -0.6(8) .
C34 C35 C36 C37 -1.1(8) .
C34 C35 C36 C38 177.0(5) .
C40 N6 C37 C36 -1.8(7) .
Pd3 N6 C37 C36 178.3(4) .
C40 N6 C37 C33 177.6(4) .
Pd3 N6 C37 C33 -2.4(5) .
C38 C36 C37 N6 3.0(7) .
C35 C36 C37 N6 -178.8(4) .
C38 C36 C37 C33 -176.3(5) .
C35 C36 C37 C33 1.9(7) .
N5 C33 C37 N6 -2.3(6) .
C32 C33 C37 N6 179.6(4) .
N5 C33 C37 C36 177.0(4) .
C32 C33 C37 C36 -1.0(7) .
C37 C36 C38 C39 -1.7(8) .
C35 C36 C38 C39 -179.9(5) .
C36 C38 C39 C40 -0.6(9) .
C37 N6 C40 C39 -0.8(8) .
Pd3 N6 C40 C39 179.2(4) .
C38 C39 C40 N6 2.0(9) .
C45 N7 C41 C42 -1.2(8) .
Pd4 N7 C41 C42 -175.7(4) .
N7 C41 C42 C43 2.4(9) .
C41 C42 C43 C44 -1.8(9) .
C42 C43 C44 C45 0.2(8) .
C42 C43 C44 C46 179.8(6) .
C41 N7 C45 C44 -0.5(7) .
Pd4 N7 C45 C44 174.9(4) .
C41 N7 C45 C49 178.7(5) .
Pd4 N7 C45 C49 -5.9(5) .
C43 C44 C45 N7 1.0(7) .
C46 C44 C45 N7 -178.7(5) .
C43 C44 C45 C49 -178.2(5) .
C46 C44 C45 C49 2.2(7) .
C45 C44 C46 C47 -1.2(8) .
C43 C44 C46 C47 179.1(6) .
C44 C46 C47 C48 0.2(9) .
C46 C47 C48 C49 -0.2(8) .
C46 C47 C48 C50 -178.3(6) .
C52 N8 C49 C48 1.1(8) .
Pd4 N8 C49 C48 -172.7(4) .
C52 N8 C49 C45 179.8(5) .
Pd4 N8 C49 C45 6.0(5) .
C50 C48 C49 N8 -2.1(8) .
C47 C48 C49 N8 179.7(5) .
C50 C48 C49 C45 179.4(5) .
C47 C48 C49 C45 1.1(8) .
N7 C45 C49 N8 -0.1(7) .
C44 C45 C49 N8 179.2(4) .
N7 C45 C49 C48 178.6(5) .
C44 C45 C49 C48 -2.2(7) .
C49 C48 C50 C51 1.8(9) .
C47 C48 C50 C51 179.9(6) .
C48 C50 C51 C52 -0.7(11) .
C49 N8 C52 C51 0.1(9) .
Pd4 N8 C52 C51 172.7(5) .
C50 C51 C52 N8 -0.3(11) .
Pd4 O6 C53 O5 3.3(9) .
Pd4 O6 C53 C54 -175.0(4) .
Pd3 O5 C53 O6 6.1(8) .
Pd3 O5 C53 C54 -175.6(4) .
Pd4 O8 C55 O7 5.6(8) .
Pd4 O8 C55 C56 -175.0(4) .
Pd3 O7 C55 O8 1.5(7) .
Pd3 O7 C55 C56 -178.0(3) .
O11 S1 C57 F2 -50.0(5) .
O10 S1 C57 F2 -172.3(5) .
O9 S1 C57 F2 69.0(5) .
O11 S1 C57 F3 -175.5(5) .
O10 S1 C57 F3 62.2(5) .
O9 S1 C57 F3 -56.4(5) .
O11 S1 C57 F1 66.1(5) .
O10 S1 C57 F1 -56.2(5) .
O9 S1 C57 F1 -174.9(4) .
O14 S2 C58 F5 177.1(5) .
O12 S2 C58 F5 55.5(6) .
O13 S2 C58 F5 -63.7(5) .
O14 S2 C58 F6 55.6(6) .
O12 S2 C58 F6 -66.0(6) .
O13 S2 C58 F6 174.8(5) .
O14 S2 C58 F4 -64.2(6) .
O12 S2 C58 F4 174.2(5) .
O13 S2 C58 F4 55.1(6) .
O15 S3 C59 F9 -178.8(4) .
O17 S3 C59 F9 60.2(5) .
O16 S3 C59 F9 -60.4(5) .
O15 S3 C59 F7 63.4(5) .
O17 S3 C59 F7 -57.7(5) .
O16 S3 C59 F7 -178.2(4) .
O15 S3 C59 F8 -57.7(5) .
O17 S3 C59 F8 -178.8(4) .
O16 S3 C59 F8 60.7(5) .
O18 S4 C60 F10 -61.8(6) .
O19 S4 C60 F10 180.0(5) .
O20 S4 C60 F10 59.9(6) .
O18 S4 C60 F11 58.9(6) .
O19 S4 C60 F11 -59.4(5) .
O20 S4 C60 F11 -179.4(5) .
O18 S4 C60 F12 179.1(5) .
O19 S4 C60 F12 60.9(5) .
O20 S4 C60 F12 -59.2(5) .
