#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:22:22 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179243 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/63/4316369.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_4316369
loop_
_publ_author_name
'Guo-Hong Ning'
'Liao-Yuan Yao'
'Li-Xia Liu'
'Ting-Zheng Xie'
'Yi-Zhi Li'
'Yu Qin'
'Yuan-Jiang Pan'
'Shu-Yan Yu'
_publ_section_title
;
 Self-Assembly and Host-Guest Interaction of Metallomacrocycles Using
 Fluorescent Dipyrazole Linker with Dimetallic Clips
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7783
_journal_page_last               7792
_journal_paper_doi               10.1021/ic100724r
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C132 H96 N16 Pd4, 4(F6 P)'
_chemical_formula_sum            'C132 H96 F24 N16 P4 Pd4'
_chemical_formula_weight         2911.73
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           70
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   44.0262(10)
_cell_length_b                   22.4503(5)
_cell_length_c                   71.5704(16)
_cell_measurement_reflns_used    8591
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      23.59
_cell_measurement_theta_min      2.11
_cell_volume                     70740(3)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Smart Apex CCD '
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0984
_diffrn_reflns_av_sigmaI/netI    0.0842
_diffrn_reflns_limit_h_max       52
_diffrn_reflns_limit_h_min       -51
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       85
_diffrn_reflns_limit_l_min       -85
_diffrn_reflns_number            167705
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.06
_exptl_absorpt_coefficient_mu    0.502
_exptl_absorpt_correction_T_max  0.9062
_exptl_absorpt_correction_T_min  0.8890
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_density_diffrn    1.094
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             23360
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.640
_refine_diff_density_min         -0.323
_refine_diff_density_rms         0.057
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     811
_refine_ls_number_reflns         15599
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0914
_refine_ls_R_factor_gt           0.0488
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.04P)²+1.22P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0868
_refine_ls_wR_factor_ref         0.0934
_reflns_number_gt                10802
_reflns_number_total             15599
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic100724r_si_002.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to the built-in table from CIF Core
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'F d d d'
_cod_database_code               4316369
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/4, -y+1/4, z'
'x, -y+1/4, -z+1/4'
'-x+1/4, y, -z+1/4'
'x, y+1/2, z+1/2'
'-x+1/4, -y+3/4, z+1/2'
'x, -y+3/4, -z+3/4'
'-x+1/4, y+1/2, -z+3/4'
'x+1/2, y, z+1/2'
'-x+3/4, -y+1/4, z+1/2'
'x+1/2, -y+1/4, -z+3/4'
'-x+3/4, y, -z+3/4'
'x+1/2, y+1/2, z'
'-x+3/4, -y+3/4, z'
'x+1/2, -y+3/4, -z+1/4'
'-x+3/4, y+1/2, -z+1/4'
'-x, -y, -z'
'x-1/4, y-1/4, -z'
'-x, y-1/4, z-1/4'
'x-1/4, -y, z-1/4'
'-x, -y+1/2, -z+1/2'
'x-1/4, y+1/4, -z+1/2'
'-x, y+1/4, z+1/4'
'x-1/4, -y+1/2, z+1/4'
'-x+1/2, -y, -z+1/2'
'x+1/4, y-1/4, -z+1/2'
'-x+1/2, y-1/4, z+1/4'
'x+1/4, -y, z+1/4'
'-x+1/2, -y+1/2, -z'
'x+1/4, y+1/4, -z'
'-x+1/2, y+1/4, z-1/4'
'x+1/4, -y+1/2, z-1/4'
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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.47024(7) 0.98023(14) 0.83217(5) 0.0417(8) Uani 1 1 d . . .
C2 C 0.45853(8) 0.92365(15) 0.83542(5) 0.0454(8) Uani 1 1 d . . .
C3 C 0.46930(8) 0.89008(15) 0.81983(4) 0.0438(8) Uani 1 1 d . . .
C4 C 0.43980(8) 0.90501(15) 0.85202(5) 0.0431(8) Uani 1 1 d . . .
H4A H 0.4401 0.9376 0.8609 0.052 Uiso 1 1 calc R . .
H4B H 0.4501 0.8717 0.8579 0.052 Uiso 1 1 calc R . .
C5 C 0.40640(7) 0.88687(15) 0.84905(4) 0.0398(8) Uani 1 1 d . . .
C6 C 0.38487(8) 0.93332(14) 0.84854(5) 0.0421(8) Uani 1 1 d . . .
C7 C 0.39378(8) 0.99414(15) 0.84801(5) 0.0471(9) Uani 1 1 d . . .
H7 H 0.4144 1.0024 0.8471 0.057 Uiso 1 1 calc R . .
C8 C 0.37454(7) 1.04072(15) 0.84872(5) 0.0396(8) Uani 1 1 d . . .
H8 H 0.3815 1.0798 0.8491 0.048 Uiso 1 1 calc R . .
C9 C 0.39656(8) 0.82851(15) 0.84851(5) 0.0466(9) Uani 1 1 d . . .
C10 C 0.41645(8) 0.78136(15) 0.84859(5) 0.0446(8) Uani 1 1 d . . .
H10 H 0.4372 0.7889 0.8485 0.053 Uiso 1 1 calc R . .
C11 C 0.40634(8) 0.72284(15) 0.84885(5) 0.0428(8) Uani 1 1 d . . .
H11 H 0.4205 0.6920 0.8491 0.051 Uiso 1 1 calc R . .
C12 C 0.46899(7) 1.03284(14) 0.84393(5) 0.0399(8) Uani 1 1 d . . .
C13 C 0.46142(8) 1.09023(14) 0.83757(5) 0.0412(8) Uani 1 1 d . . .
H13 H 0.4566 1.0955 0.8250 0.049 Uiso 1 1 calc R . .
C14 C 0.46087(8) 1.13771(16) 0.84904(5) 0.0458(9) Uani 1 1 d . . .
H14 H 0.4542 1.1746 0.8448 0.055 Uiso 1 1 calc R . .
C15 C 0.47035(7) 1.13019(14) 0.86699(5) 0.0424(8) Uani 1 1 d . . .
H15 H 0.4704 1.1631 0.8749 0.051 Uiso 1 1 calc R . .
C16 C 0.47962(7) 1.07772(15) 0.87380(5) 0.0435(8) Uani 1 1 d . . .
H16 H 0.4859 1.0748 0.8862 0.052 Uiso 1 1 calc R . .
C17 C 0.47985(8) 1.02861(14) 0.86260(4) 0.0407(8) Uani 1 1 d . . .
H17 H 0.4871 0.9925 0.8671 0.049 Uiso 1 1 calc R . .
C18 C 0.46640(7) 0.82605(14) 0.81534(5) 0.0400(8) Uani 1 1 d . . .
C19 C 0.48328(8) 0.78310(14) 0.82460(5) 0.0418(8) Uani 1 1 d . . .
H19 H 0.4964 0.7943 0.8341 0.050 Uiso 1 1 calc R . .
C20 C 0.48072(8) 0.72324(15) 0.81973(5) 0.0397(8) Uani 1 1 d . . .
H20 H 0.4934 0.6955 0.8254 0.048 Uiso 1 1 calc R . .
C21 C 0.46089(8) 0.70528(16) 0.80739(5) 0.0477(9) Uani 1 1 d . . .
H21 H 0.4584 0.6648 0.8050 0.057 Uiso 1 1 calc R . .
C22 C 0.44357(8) 0.74668(15) 0.79790(5) 0.0426(8) Uani 1 1 d . . .
H22 H 0.4302 0.7341 0.7886 0.051 Uiso 1 1 calc R . .
C23 C 0.44589(8) 0.80801(15) 0.80214(4) 0.0414(8) Uani 1 1 d . . .
H23 H 0.4337 0.8357 0.7960 0.050 Uiso 1 1 calc R . .
C24 C 0.44131(7) 1.03329(15) 0.77158(5) 0.0399(8) Uani 1 1 d . . .
C25 C 0.43387(7) 0.99260(14) 0.75774(5) 0.0378(8) Uani 1 1 d . . .
C26 C 0.45511(8) 0.94845(14) 0.75795(5) 0.0413(8) Uani 1 1 d . . .
C27 C 0.40330(7) 0.99311(14) 0.74851(5) 0.0416(8) Uani 1 1 d . . .
H27A H 0.4054 1.0102 0.7361 0.050 Uiso 1 1 calc R . .
H27B H 0.3899 1.0189 0.7556 0.050 Uiso 1 1 calc R . .
C28 C 0.38861(8) 0.93297(14) 0.74672(5) 0.0404(8) Uani 1 1 d . . .
C29 C 0.38028(8) 0.90458(13) 0.76311(4) 0.0371(7) Uani 1 1 d . . .
C30 C 0.38365(7) 0.92918(15) 0.78104(5) 0.0396(8) Uani 1 1 d . . .
H30 H 0.3891 0.9692 0.7814 0.048 Uiso 1 1 calc R . .
C31 C 0.38010(8) 0.90266(15) 0.79809(5) 0.0472(9) Uani 1 1 d . . .
H31 H 0.3846 0.9226 0.8091 0.057 Uiso 1 1 calc R . .
C32 C 0.38188(7) 0.90276(14) 0.72969(5) 0.0413(8) Uani 1 1 d . . .
C33 C 0.38744(8) 0.92533(15) 0.71234(5) 0.0413(8) Uani 1 1 d . . .
H33 H 0.3969 0.9623 0.7123 0.050 Uiso 1 1 calc R . .
C34 C 0.38131(8) 0.90225(15) 0.69460(5) 0.0437(8) Uani 1 1 d . . .
H34 H 0.3856 0.9230 0.6837 0.052 Uiso 1 1 calc R . .
C35 C 0.42647(8) 1.08661(15) 0.77813(5) 0.0432(8) Uani 1 1 d . . .
C36 C 0.41530(8) 1.08999(16) 0.79608(5) 0.0448(8) Uani 1 1 d . . .
H36 H 0.4182 1.0585 0.8043 0.054 Uiso 1 1 calc R . .
C37 C 0.39956(7) 1.14114(13) 0.80187(4) 0.0346(7) Uani 1 1 d . . .
H37 H 0.3922 1.1441 0.8140 0.042 Uiso 1 1 calc R . .
C38 C 0.39511(8) 1.18728(16) 0.78924(5) 0.0454(8) Uani 1 1 d . . .
H38 H 0.3851 1.2216 0.7931 0.055 Uiso 1 1 calc R . .
C39 C 0.40520(7) 1.18300(14) 0.77112(4) 0.0379(7) Uani 1 1 d . . .
H39 H 0.4016 1.2137 0.7627 0.046 Uiso 1 1 calc R . .
C40 C 0.42087(8) 1.13186(14) 0.76558(5) 0.0403(8) Uani 1 1 d . . .
H40 H 0.4276 1.1283 0.7533 0.048 Uiso 1 1 calc R . .
C41 C 0.45869(8) 0.89466(15) 0.74661(5) 0.0426(8) Uani 1 1 d . . .
C42 C 0.46208(8) 0.83784(14) 0.75409(5) 0.0415(8) Uani 1 1 d . . .
H42 H 0.4615 0.8322 0.7670 0.050 Uiso 1 1 calc R . .
C43 C 0.46640(8) 0.78936(16) 0.74217(5) 0.0458(8) Uani 1 1 d . . .
H43 H 0.4689 0.7515 0.7472 0.055 Uiso 1 1 calc R . .
C44 C 0.46706(8) 0.79677(15) 0.72283(5) 0.0431(8) Uani 1 1 d . . .
H44 H 0.4698 0.7642 0.7150 0.052 Uiso 1 1 calc R . .
C45 C 0.46358(8) 0.85271(16) 0.71561(5) 0.0508(9) Uani 1 1 d . . .
H45 H 0.4641 0.8581 0.7027 0.061 Uiso 1 1 calc R . .
C46 C 0.45927(7) 0.90207(15) 0.72727(5) 0.0386(8) Uani 1 1 d . . .
H46 H 0.4568 0.9398 0.7221 0.046 Uiso 1 1 calc R . .
C47 C 0.52933(7) 0.93070(14) 0.74566(4) 0.0384(8) Uani 1 1 d . . .
H47 H 0.5122 0.9546 0.7446 0.046 Uiso 1 1 calc R . .
C48 C 0.54853(8) 0.92212(15) 0.72995(5) 0.0434(8) Uani 1 1 d . . .
H48 H 0.5436 0.9395 0.7186 0.052 Uiso 1 1 calc R . .
C49 C 0.57304(7) 0.88993(14) 0.73149(5) 0.0390(8) Uani 1 1 d . . .
H49 H 0.5859 0.8854 0.7213 0.047 Uiso 1 1 calc R . .
C50 C 0.57985(8) 0.86307(15) 0.74786(5) 0.0412(8) Uani 1 1 d . . .
H50 H 0.5969 0.8388 0.7489 0.049 Uiso 1 1 calc R . .
C51 C 0.56068(8) 0.87244(15) 0.76351(5) 0.0439(8) Uani 1 1 d . . .
C52 C 0.56569(8) 0.85236(15) 0.78277(5) 0.0427(8) Uani 1 1 d . . .
C53 C 0.59067(8) 0.82028(14) 0.78907(5) 0.0433(8) Uani 1 1 d . . .
H53 H 0.6049 0.8065 0.7805 0.052 Uiso 1 1 calc R . .
C54 C 0.59476(8) 0.80847(14) 0.80781(5) 0.0416(8) Uani 1 1 d . . .
H54 H 0.6116 0.7869 0.8118 0.050 Uiso 1 1 calc R . .
C55 C 0.57386(8) 0.82865(14) 0.82071(5) 0.0446(8) Uani 1 1 d . . .
H55 H 0.5767 0.8208 0.8333 0.054 Uiso 1 1 calc R . .
C56 C 0.54818(8) 0.86110(15) 0.81484(5) 0.0433(8) Uani 1 1 d . . .
H56 H 0.5337 0.8739 0.8234 0.052 Uiso 1 1 calc R . .
C57 C 0.50300(7) 1.11966(14) 0.76343(5) 0.0412(8) Uani 1 1 d . . .
H57 H 0.4888 1.0935 0.7584 0.049 Uiso 1 1 calc R . .
C58 C 0.51507(8) 1.16742(16) 0.75253(5) 0.0485(9) Uani 1 1 d . . .
H58 H 0.5093 1.1716 0.7401 0.058 Uiso 1 1 calc R . .
C59 C 0.53513(8) 1.20728(15) 0.76035(5) 0.0457(8) Uani 1 1 d . . .
H59 H 0.5422 1.2392 0.7533 0.055 Uiso 1 1 calc R . .
C60 C 0.54487(8) 1.20046(15) 0.77851(5) 0.0413(8) Uani 1 1 d . . .
H60 H 0.5589 1.2265 0.7838 0.050 Uiso 1 1 calc R . .
C61 C 0.53279(8) 1.15252(14) 0.78891(5) 0.0445(8) Uani 1 1 d . . .
C62 C 0.54043(8) 1.13561(15) 0.80617(5) 0.0421(8) Uani 1 1 d . . .
C63 C 0.56220(8) 1.16621(15) 0.81577(5) 0.0443(8) Uani 1 1 d . . .
H63 H 0.5698 1.2015 0.8108 0.053 Uiso 1 1 calc R . .
C64 C 0.57327(8) 1.14601(15) 0.83264(5) 0.0434(8) Uani 1 1 d . . .
H64 H 0.5884 1.1669 0.8389 0.052 Uiso 1 1 calc R . .
C65 C 0.56132(8) 1.09338(15) 0.84009(5) 0.0456(8) Uani 1 1 d . . .
H65 H 0.5687 1.0791 0.8514 0.055 Uiso 1 1 calc R . .
C66 C 0.53883(7) 1.06248(15) 0.83102(5) 0.0412(8) Uani 1 1 d . . .
H66 H 0.5305 1.0284 0.8363 0.049 Uiso 1 1 calc R . .
F11 F 0.72462(4) 0.85074(8) 0.80274(3) 0.0453(5) Uani 1 1 d . . .
F12 F 0.70111(4) 0.81388(8) 0.77888(3) 0.0415(4) Uani 1 1 d . . .
F13 F 0.66239(4) 0.86669(8) 0.78518(3) 0.0431(4) Uani 1 1 d . . .
F14 F 0.68903(4) 0.91846(8) 0.80554(3) 0.0470(5) Uani 1 1 d . . .
F15 F 0.68039(4) 0.82206(8) 0.80708(3) 0.0459(5) Uani 1 1 d . . .
F16 F 0.71201(4) 0.90432(8) 0.77848(3) 0.0464(5) Uani 1 1 d . . .
F21 F 0.61339(4) 0.21772(8) 0.77516(3) 0.0481(5) Uani 1 1 d . . .
F22 F 0.63259(4) 0.25610(8) 0.80029(3) 0.0470(5) Uani 1 1 d . . .
F23 F 0.67716(4) 0.25378(8) 0.78877(3) 0.0496(5) Uani 1 1 d . . .
F24 F 0.65786(4) 0.20979(8) 0.76368(3) 0.0459(5) Uani 1 1 d . . .
F25 F 0.64688(4) 0.17540(8) 0.79138(3) 0.0479(5) Uani 1 1 d . . .
F26 F 0.63788(4) 0.29436(8) 0.77154(3) 0.0490(5) Uani 1 1 d . . .
N1 N 0.48496(6) 0.92813(12) 0.80790(4) 0.0444(7) Uani 1 1 d . . .
N2 N 0.48516(7) 0.98258(13) 0.81591(4) 0.0466(7) Uani 1 1 d . . .
N3 N 0.47548(6) 0.96162(12) 0.77163(4) 0.0405(7) Uani 1 1 d . . .
N4 N 0.46825(6) 1.01341(12) 0.77972(4) 0.0395(6) Uani 1 1 d . . .
N5 N 0.53539(6) 0.90598(11) 0.76118(4) 0.0412(7) Uani 1 1 d . . .
N6 N 0.54494(6) 0.87345(12) 0.79595(4) 0.0416(7) Uani 1 1 d . . .
N7 N 0.51290(6) 1.11350(12) 0.78153(4) 0.0410(7) Uani 1 1 d . . .
N8 N 0.52859(6) 1.08353(12) 0.81341(4) 0.0409(7) Uani 1 1 d . . .
P1 P 0.69470(2) 0.86492(4) 0.792696(14) 0.0472(2) Uani 1 1 d . . .
P2 P 0.64545(2) 0.23637(4) 0.781706(13) 0.0456(2) Uani 1 1 d . . .
Pd1 Pd 0.509251(6) 0.915905(11) 0.784284(4) 0.04244(8) Uani 1 1 d . . .
Pd2 Pd 0.498086(6) 1.047634(11) 0.797983(4) 0.03969(7) Uani 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'
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_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 C1 C2 111.3(3) . . ?
N2 C1 C12 119.4(3) . . ?
C2 C1 C12 129.2(3) . . ?
C1 C2 C3 103.2(3) . . ?
C1 C2 C4 126.1(3) . . ?
C3 C2 C4 130.7(3) . . ?
N1 C3 C2 108.7(3) . . ?
N1 C3 C18 120.5(3) . . ?
C2 C3 C18 130.9(3) . . ?
C2 C4 C5 119.2(3) . . ?
C2 C4 H4A 107.5 . . ?
C5 C4 H4A 107.5 . . ?
C2 C4 H4B 107.5 . . ?
C5 C4 H4B 107.5 . . ?
H4A C4 H4B 107.0 . . ?
C9 C5 C6 119.4(3) . . ?
C9 C5 C4 123.7(3) . . ?
C6 C5 C4 116.7(3) . . ?
C9 C6 C5 121.4(3) 14_565 . ?
C9 C6 C7 116.9(3) 14_565 . ?
C5 C6 C7 121.7(3) . . ?
C8 C7 C6 124.8(3) . . ?
C8 C7 H7 117.6 . . ?
C6 C7 H7 117.6 . . ?
C7 C8 C11 116.4(3) . 14_565 ?
C7 C8 H8 121.8 . . ?
C11 C8 H8 121.8 14_565 . ?
C10 C9 C5 122.1(3) . . ?
C10 C9 C6 118.7(3) . 14_565 ?
C5 C9 C6 119.1(3) . 14_565 ?
C9 C10 C11 121.7(3) . . ?
C9 C10 H10 119.2 . . ?
C11 C10 H10 119.2 . . ?
C10 C11 C8 121.3(3) . 14_565 ?
C10 C11 H11 119.3 . . ?
C8 C11 H11 119.3 14_565 . ?
C13 C12 C17 116.4(3) . . ?
C13 C12 C1 124.5(3) . . ?
C17 C12 C1 118.5(3) . . ?
C14 C13 C12 122.2(3) . . ?
C14 C13 H13 118.9 . . ?
C12 C13 H13 118.9 . . ?
C13 C14 C15 118.2(3) . . ?
C13 C14 H14 120.9 . . ?
C15 C14 H14 120.9 . . ?
C16 C15 C14 123.1(3) . . ?
C16 C15 H15 118.4 . . ?
C14 C15 H15 118.4 . . ?
C15 C16 C17 120.0(3) . . ?
C15 C16 H16 120.0 . . ?
C17 C16 H16 120.0 . . ?
C16 C17 C12 119.7(3) . . ?
C16 C17 H17 120.1 . . ?
C12 C17 H17 120.1 . . ?
C23 C18 C19 118.5(3) . . ?
C23 C18 C3 119.6(3) . . ?
C19 C18 C3 121.8(3) . . ?
C18 C19 C20 120.6(3) . . ?
C18 C19 H19 119.7 . . ?
C20 C19 H19 119.7 . . ?
C21 C20 C19 121.4(3) . . ?
C21 C20 H20 119.3 . . ?
C19 C20 H20 119.3 . . ?
C20 C21 C22 119.6(4) . . ?
C20 C21 H21 120.2 . . ?
C22 C21 H21 120.2 . . ?
C21 C22 C23 120.7(3) . . ?
C21 C22 H22 119.7 . . ?
C23 C22 H22 119.7 . . ?
C18 C23 C22 119.0(3) . . ?
C18 C23 H23 120.5 . . ?
C22 C23 H23 120.5 . . ?
C25 C24 N4 106.8(3) . . ?
C25 C24 C35 132.2(3) . . ?
N4 C24 C35 121.0(3) . . ?
C26 C25 C24 108.0(3) . . ?
C26 C25 C27 128.8(3) . . ?
C24 C25 C27 121.4(3) . . ?
N3 C26 C25 107.6(3) . . ?
N3 C26 C41 120.5(3) . . ?
C25 C26 C41 131.9(3) . . ?
C25 C27 C28 114.6(3) . . ?
C25 C27 H27A 108.6 . . ?
C28 C27 H27A 108.6 . . ?
C25 C27 H27B 108.6 . . ?
C28 C27 H27B 108.6 . . ?
H27A C27 H27B 107.6 . . ?
C29 C28 C32 116.8(3) . . ?
C29 C28 C27 117.1(3) . . ?
C32 C28 C27 126.1(3) . . ?
C28 C29 C30 124.4(3) . . ?
C28 C29 C29 121.47(19) . 14_565 ?
C30 C29 C29 113.9(2) . 14_565 ?
C31 C30 C29 129.2(3) . . ?
C31 C30 H30 115.4 . . ?
C29 C30 H30 115.4 . . ?
C31 C31 C30 116.6(2) 14_565 . ?
C31 C31 H31 121.7 14_565 . ?
C30 C31 H31 121.7 . . ?
C33 C32 C32 114.4(2) . 14_565 ?
C33 C32 C28 124.4(3) . . ?
C32 C32 C28 121.24(19) 14_565 . ?
C32 C33 C34 130.9(3) . . ?
C32 C33 H33 114.5 . . ?
C34 C33 H33 114.5 . . ?
C34 C34 C33 114.7(2) 14_565 . ?
C34 C34 H34 122.7 14_565 . ?
C33 C34 H34 122.7 . . ?
C36 C35 C40 120.2(3) . . ?
C36 C35 C24 120.7(3) . . ?
C40 C35 C24 118.7(3) . . ?
C35 C36 C37 119.8(3) . . ?
C35 C36 H36 120.1 . . ?
C37 C36 H36 120.1 . . ?
C38 C37 C36 119.2(3) . . ?
C38 C37 H37 120.4 . . ?
C36 C37 H37 120.4 . . ?
C39 C38 C37 121.1(3) . . ?
C39 C38 H38 119.5 . . ?
C37 C38 H38 119.5 . . ?
C38 C39 C40 119.0(3) . . ?
C38 C39 H39 120.5 . . ?
C40 C39 H39 120.5 . . ?
C35 C40 C39 120.6(3) . . ?
C35 C40 H40 119.7 . . ?
C39 C40 H40 119.7 . . ?
C42 C41 C46 119.3(3) . . ?
C42 C41 C26 123.7(3) . . ?
C46 C41 C26 117.0(3) . . ?
C41 C42 C43 119.6(3) . . ?
C41 C42 H42 120.2 . . ?
C43 C42 H42 120.2 . . ?
C44 C43 C42 121.1(3) . . ?
C44 C43 H43 119.5 . . ?
C42 C43 H43 119.5 . . ?
C45 C44 C43 118.9(3) . . ?
C45 C44 H44 120.6 . . ?
C43 C44 H44 120.6 . . ?
C44 C45 C46 121.1(4) . . ?
C44 C45 H45 119.5 . . ?
C46 C45 H45 119.5 . . ?
C41 C46 C45 120.0(3) . . ?
C41 C46 H46 120.0 . . ?
C45 C46 H46 120.0 . . ?
N5 C47 C48 120.5(3) . . ?
N5 C47 H47 119.7 . . ?
C48 C47 H47 119.7 . . ?
C49 C48 C47 120.1(3) . . ?
C49 C48 H48 119.9 . . ?
C47 C48 H48 119.9 . . ?
C48 C49 C50 120.3(3) . . ?
C48 C49 H49 119.9 . . ?
C50 C49 H49 119.9 . . ?
C49 C50 C51 119.1(3) . . ?
C49 C50 H50 120.4 . . ?
C51 C50 H50 120.4 . . ?
N5 C51 C50 118.3(3) . . ?
N5 C51 C52 114.2(3) . . ?
C50 C51 C52 127.4(3) . . ?
C53 C52 N6 118.3(3) . . ?
C53 C52 C51 125.7(3) . . ?
N6 C52 C51 115.6(3) . . ?
C54 C53 C52 121.2(3) . . ?
C54 C53 H53 119.4 . . ?
C52 C53 H53 119.4 . . ?
C53 C54 C55 120.0(3) . . ?
C53 C54 H54 120.0 . . ?
C55 C54 H54 120.0 . . ?
C54 C55 C56 120.4(3) . . ?
C54 C55 H55 119.8 . . ?
C56 C55 H55 119.8 . . ?
N6 C56 C55 118.4(3) . . ?
N6 C56 H56 120.8 . . ?
C55 C56 H56 120.8 . . ?
N7 C57 C58 118.2(3) . . ?
N7 C57 H57 120.9 . . ?
C58 C57 H57 120.9 . . ?
C59 C58 C57 120.4(3) . . ?
C59 C58 H58 119.8 . . ?
C57 C58 H58 119.8 . . ?
C58 C59 C60 120.7(3) . . ?
C58 C59 H59 119.6 . . ?
C60 C59 H59 119.6 . . ?
C59 C60 C61 117.7(3) . . ?
C59 C60 H60 121.2 . . ?
C61 C60 H60 121.2 . . ?
C62 C61 N7 110.0(3) . . ?
C62 C61 C60 127.5(3) . . ?
N7 C61 C60 122.3(3) . . ?
C61 C62 C63 120.0(3) . . ?
C61 C62 N8 119.5(3) . . ?
C63 C62 N8 120.1(3) . . ?
C62 C63 C64 121.6(3) . . ?
C62 C63 H63 119.2 . . ?
C64 C63 H63 119.2 . . ?
C63 C64 C65 118.6(3) . . ?
C63 C64 H64 120.7 . . ?
C65 C64 H64 120.7 . . ?
C66 C65 C64 121.2(3) . . ?
C66 C65 H65 119.4 . . ?
C64 C65 H65 119.4 . . ?
C65 C66 N8 118.8(3) . . ?
C65 C66 H66 120.6 . . ?
N8 C66 H66 120.6 . . ?
N2 N1 C3 107.4(2) . . ?
N2 N1 Pd1 118.4(2) . . ?
C3 N1 Pd1 133.87(19) . . ?
C1 N2 N1 109.3(2) . . ?
C1 N2 Pd2 135.86(19) . . ?
N1 N2 Pd2 112.7(2) . . ?
N4 N3 C26 110.1(2) . . ?
N4 N3 Pd1 115.0(2) . . ?
C26 N3 Pd1 134.20(17) . . ?
N3 N4 C24 107.5(2) . . ?
N3 N4 Pd2 117.3(2) . . ?
C24 N4 Pd2 134.94(17) . . ?
C47 N5 C51 121.6(2) . . ?
C47 N5 Pd1 123.11(17) . . ?
C51 N5 Pd1 115.3(2) . . ?
C56 N6 C52 121.6(3) . . ?
C56 N6 Pd1 125.3(2) . . ?
C52 N6 Pd1 113.0(2) . . ?
C61 N7 C57 120.7(3) . . ?
C61 N7 Pd2 117.5(2) . . ?
C57 N7 Pd2 121.8(2) . . ?
C62 N8 C66 119.7(3) . . ?
C62 N8 Pd2 113.8(2) . . ?
C66 N8 Pd2 126.5(2) . . ?
F13 P1 F14 92.26(11) . . ?
F13 P1 F11 166.91(12) . . ?
F14 P1 F11 91.23(12) . . ?
F13 P1 F12 87.93(11) . . ?
F14 P1 F12 176.45(12) . . ?
F11 P1 F12 89.37(11) . . ?
F13 P1 F15 82.57(11) . . ?
F14 P1 F15 91.30(11) . . ?
F11 P1 F15 84.75(10) . . ?
F12 P1 F15 92.24(11) . . ?
F13 P1 F16 102.29(11) . . ?
F14 P1 F16 91.50(11) . . ?
F11 P1 F16 90.23(11) . . ?
F12 P1 F16 85.00(10) . . ?
F15 P1 F16 174.30(12) . . ?
F22 P2 F24 173.96(12) . . ?
F22 P2 F26 95.03(12) . . ?
F24 P2 F26 90.50(11) . . ?
F22 P2 F23 88.64(12) . . ?
F24 P2 F23 93.01(11) . . ?
F26 P2 F23 97.96(12) . . ?
F22 P2 F25 83.09(11) . . ?
F24 P2 F25 91.04(10) . . ?
F26 P2 F25 169.48(13) . . ?
F23 P2 F25 92.35(12) . . ?
F22 P2 F21 90.23(11) . . ?
F24 P2 F21 87.98(11) . . ?
F26 P2 F21 83.52(11) . . ?
F23 P2 F21 178.21(12) . . ?
F25 P2 F21 86.14(12) . . ?
N6 Pd1 N1 97.48(11) . . ?
N6 Pd1 N3 176.25(11) . . ?
N1 Pd1 N3 85.21(11) . . ?
N6 Pd1 N5 81.01(11) . . ?
N1 Pd1 N5 177.10(12) . . ?
N3 Pd1 N5 96.19(11) . . ?
N6 Pd1 Pd2 115.81(8) . . ?
N1 Pd1 Pd2 61.95(8) . . ?
N3 Pd1 Pd2 63.16(8) . . ?
N5 Pd1 Pd2 116.43(8) . . ?
N8 Pd2 N7 78.46(11) . . ?
N8 Pd2 N4 174.50(11) . . ?
N7 Pd2 N4 96.49(11) . . ?
N8 Pd2 N2 97.76(12) . . ?
N7 Pd2 N2 176.22(12) . . ?
N4 Pd2 N2 87.29(12) . . ?
N8 Pd2 Pd1 117.66(7) . . ?
N7 Pd2 Pd1 117.35(8) . . ?
N4 Pd2 Pd1 62.64(7) . . ?
N2 Pd2 Pd1 64.19(8) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N2 1.337(3) . ?
C1 C2 1.390(5) . ?
C1 C12 1.451(5) . ?
C2 C3 1.427(5) . ?
C2 C4 1.506(5) . ?
C3 N1 1.391(3) . ?
C3 C18 1.478(5) . ?
C4 C5 1.540(5) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C9 1.381(5) . ?
C5 C6 1.410(4) . ?
C6 C9 1.409(5) 14_565 ?
C6 C7 1.421(5) . ?
C7 C8 1.347(5) . ?
C7 H7 0.9300 . ?
C8 C11 1.393(5) 14_565 ?
C8 H8 0.9300 . ?
C9 C10 1.374(5) . ?
C9 C6 1.409(5) 14_565 ?
C10 C11 1.387(5) . ?
C10 H10 0.9300 . ?
C11 C8 1.393(5) 14_565 ?
C11 H11 0.9300 . ?
C12 C13 1.407(4) . ?
C12 C17 1.422(5) . ?
C13 C14 1.346(5) . ?
C13 H13 0.9300 . ?
C14 C15 1.362(5) . ?
C14 H14 0.9300 . ?
C15 C16 1.339(5) . ?
C15 H15 0.9300 . ?
C16 C17 1.363(5) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C18 C23 1.368(5) . ?
C18 C19 1.386(5) . ?
C19 C20 1.393(5) . ?
C19 H19 0.9300 . ?
C20 C21 1.306(5) . ?
C20 H20 0.9300 . ?
C21 C22 1.380(5) . ?
C21 H21 0.9300 . ?
C22 C23 1.414(5) . ?
C22 H22 0.9300 . ?
C23 H23 0.9300 . ?
C24 C25 1.387(5) . ?
C24 N4 1.395(3) . ?
C24 C35 1.442(4) . ?
C25 C26 1.363(4) . ?
C25 C27 1.500(5) . ?
C26 N3 1.360(4) . ?
C26 C41 1.464(5) . ?
C27 C28 1.502(4) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C28 C29 1.384(5) . ?
C28 C32 1.426(5) . ?
C29 C30 1.405(4) . ?
C29 C29 1.407(6) 14_565 ?
C30 C31 1.367(5) . ?
C30 H30 0.9300 . ?
C31 C31 1.321(7) 14_565 ?
C31 H31 0.9300 . ?
C32 C33 1.363(5) . ?
C32 C32 1.386(7) 14_565 ?
C33 C34 1.397(5) . ?
C33 H33 0.9300 . ?
C34 C34 1.344(7) 14_565 ?
C34 H34 0.9300 . ?
C35 C36 1.378(5) . ?
C35 C40 1.378(5) . ?
C36 C37 1.404(4) . ?
C36 H36 0.9300 . ?
C37 C38 1.389(4) . ?
C37 H37 0.9300 . ?
C38 C39 1.374(4) . ?
C38 H38 0.9300 . ?
C39 C40 1.397(4) . ?
C39 H39 0.9300 . ?
C40 H40 0.9300 . ?
C41 C42 1.391(5) . ?
C41 C46 1.394(5) . ?
C42 C43 1.396(5) . ?
C42 H42 0.9300 . ?
C43 C44 1.395(5) . ?
C43 H43 0.9300 . ?
C44 C45 1.367(5) . ?
C44 H44 0.9300 . ?
C45 C46 1.400(5) . ?
C45 H45 0.9300 . ?
C46 H46 0.9300 . ?
C47 N5 1.270(3) . ?
C47 C48 1.420(4) . ?
C47 H47 0.9300 . ?
C48 C49 1.303(4) . ?
C48 H48 0.9300 . ?
C49 C50 1.352(5) . ?
C49 H49 0.9300 . ?
C50 C51 1.418(3) . ?
C50 H50 0.9300 . ?
C51 N5 1.355(4) . ?
C51 C52 1.467(5) . ?
C52 C53 1.390(5) . ?
C52 N6 1.396(4) . ?
C53 C54 1.379(5) . ?
C53 H53 0.9300 . ?
C54 C55 1.380(5) . ?
C54 H54 0.9300 . ?
C55 C56 1.409(5) . ?
C55 H55 0.9300 . ?
C56 N6 1.388(4) . ?
C56 H56 0.9300 . ?
C57 N7 1.374(4) . ?
C57 C58 1.428(5) . ?
C57 H57 0.9300 . ?
C58 C59 1.376(5) . ?
C58 H58 0.9300 . ?
C59 C60 1.377(5) . ?
C59 H59 0.9300 . ?
C60 C61 1.412(5) . ?
C60 H60 0.9300 . ?
C61 C62 1.335(5) . ?
C61 N7 1.347(4) . ?
C62 C63 1.365(5) . ?
C62 N8 1.381(4) . ?
C63 C64 1.379(4) . ?
C63 H63 0.9300 . ?
C64 C65 1.399(5) . ?
C64 H64 0.9300 . ?
C65 C66 1.372(5) . ?
C65 H65 0.9300 . ?
C66 N8 1.419(4) . ?
C66 H66 0.9300 . ?
F11 P1 1.534(2) . ?
F12 P1 1.540(2) . ?
F13 P1 1.521(2) . ?
F14 P1 1.534(2) . ?
F15 P1 1.543(2) . ?
F16 P1 1.549(2) . ?
F21 P2 1.545(2) . ?
F22 P2 1.512(2) . ?
F23 P2 1.535(2) . ?
F24 P2 1.523(2) . ?
F25 P2 1.535(2) . ?
F26 P2 1.528(2) . ?
N1 N2 1.350(4) . ?
N1 Pd1 2.019(3) . ?
N2 Pd2 2.026(3) . ?
N3 N4 1.337(4) . ?
N3 Pd1 2.021(3) . ?
N4 Pd2 2.006(3) . ?
N5 Pd1 2.027(3) . ?
N6 Pd1 2.018(3) . ?
N7 Pd2 2.000(3) . ?
N8 Pd2 1.916(3) . ?
Pd1 Pd2 3.1542(4) . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N2 C1 C2 C3 3.1(4) . . . . ?
C12 C1 C2 C3 -174.8(3) . . . . ?
N2 C1 C2 C4 -178.3(3) . . . . ?
C12 C1 C2 C4 3.8(6) . . . . ?
C1 C2 C3 N1 -3.3(4) . . . . ?
C4 C2 C3 N1 178.2(3) . . . . ?
C1 C2 C3 C18 176.1(4) . . . . ?
C4 C2 C3 C18 -2.4(7) . . . . ?
C1 C2 C4 C5 113.8(4) . . . . ?
C3 C2 C4 C5 -68.0(5) . . . . ?
C2 C4 C5 C9 101.4(4) . . . . ?
C2 C4 C5 C6 -84.3(4) . . . . ?
C9 C5 C6 C9 3.5(4) . . . 14_565 ?
C4 C5 C6 C9 -171.0(3) . . . 14_565 ?
C9 C5 C6 C7 -176.5(3) . . . . ?
C4 C5 C6 C7 9.0(5) . . . . ?
C9 C6 C7 C8 4.6(5) 14_565 . . . ?
C5 C6 C7 C8 -175.5(3) . . . . ?
C6 C7 C8 C11 -4.0(5) . . . 14_565 ?
C6 C5 C9 C10 178.7(3) . . . . ?
C4 C5 C9 C10 -7.2(5) . . . . ?
C6 C5 C9 C6 -3.6(4) . . . 14_565 ?
C4 C5 C9 C6 170.6(3) . . . 14_565 ?
C5 C9 C10 C11 177.2(3) . . . . ?
C6 C9 C10 C11 -0.6(5) 14_565 . . . ?
C9 C10 C11 C8 1.1(5) . . . 14_565 ?
N2 C1 C12 C13 48.0(5) . . . . ?
C2 C1 C12 C13 -134.2(4) . . . . ?
N2 C1 C12 C17 -123.3(3) . . . . ?
C2 C1 C12 C17 54.4(5) . . . . ?
C17 C12 C13 C14 -7.8(5) . . . . ?
C1 C12 C13 C14 -179.4(3) . . . . ?
C12 C13 C14 C15 5.4(6) . . . . ?
C13 C14 C15 C16 -1.3(6) . . . . ?
C14 C15 C16 C17 0.0(5) . . . . ?
C15 C16 C17 C12 -2.7(5) . . . . ?
C13 C12 C17 C16 6.3(5) . . . . ?
C1 C12 C17 C16 178.4(3) . . . . ?
N1 C3 C18 C23 -77.2(4) . . . . ?
C2 C3 C18 C23 103.5(4) . . . . ?
N1 C3 C18 C19 104.9(4) . . . . ?
C2 C3 C18 C19 -74.4(5) . . . . ?
C23 C18 C19 C20 3.9(5) . . . . ?
C3 C18 C19 C20 -178.2(3) . . . . ?
C18 C19 C20 C21 -5.1(5) . . . . ?
C19 C20 C21 C22 4.9(5) . . . . ?
C20 C21 C22 C23 -3.5(5) . . . . ?
C19 C18 C23 C22 -2.5(5) . . . . ?
C3 C18 C23 C22 179.5(3) . . . . ?
C21 C22 C23 C18 2.3(5) . . . . ?
N4 C24 C25 C26 2.0(3) . . . . ?
C35 C24 C25 C26 -177.0(3) . . . . ?
N4 C24 C25 C27 168.1(2) . . . . ?
C35 C24 C25 C27 -10.9(5) . . . . ?
C24 C25 C26 N3 -0.3(3) . . . . ?
C27 C25 C26 N3 -165.1(3) . . . . ?
C24 C25 C26 C41 -180.0(3) . . . . ?
C27 C25 C26 C41 15.3(6) . . . . ?
C26 C25 C27 C28 29.2(5) . . . . ?
C24 C25 C27 C28 -133.8(3) . . . . ?
C25 C27 C28 C29 66.0(4) . . . . ?
C25 C27 C28 C32 -115.3(4) . . . . ?
C32 C28 C29 C30 -176.4(3) . . . . ?
C27 C28 C29 C30 2.4(5) . . . . ?
C32 C28 C29 C29 8.8(6) . . . 14_565 ?
C27 C28 C29 C29 -172.4(4) . . . 14_565 ?
C28 C29 C30 C31 -170.3(4) . . . . ?
C29 C29 C30 C31 4.9(6) 14_565 . . . ?
C29 C30 C31 C31 -5.6(7) . . . 14_565 ?
C29 C28 C32 C33 177.4(3) . . . . ?
C27 C28 C32 C33 -1.3(5) . . . . ?
C29 C28 C32 C32 -1.0(6) . . . 14_565 ?
C27 C28 C32 C32 -179.7(4) . . . 14_565 ?
C32 C32 C33 C34 0.8(6) 14_565 . . . ?
C28 C32 C33 C34 -177.7(3) . . . . ?
C32 C33 C34 C34 -2.5(6) . . . 14_565 ?
C25 C24 C35 C36 115.6(4) . . . . ?
N4 C24 C35 C36 -63.3(4) . . . . ?
C25 C24 C35 C40 -57.8(5) . . . . ?
N4 C24 C35 C40 123.3(3) . . . . ?
C40 C35 C36 C37 -3.4(5) . . . . ?
C24 C35 C36 C37 -176.7(3) . . . . ?
C35 C36 C37 C38 1.0(5) . . . . ?
C36 C37 C38 C39 1.6(5) . . . . ?
C37 C38 C39 C40 -1.7(5) . . . . ?
C36 C35 C40 C39 3.3(5) . . . . ?
C24 C35 C40 C39 176.8(3) . . . . ?
C38 C39 C40 C35 -0.8(5) . . . . ?
N3 C26 C41 C42 53.2(4) . . . . ?
C25 C26 C41 C42 -127.2(4) . . . . ?
N3 C26 C41 C46 -125.5(3) . . . . ?
C25 C26 C41 C46 54.1(5) . . . . ?
C46 C41 C42 C43 0.9(5) . . . . ?
C26 C41 C42 C43 -177.8(3) . . . . ?
C41 C42 C43 C44 -0.7(5) . . . . ?
C42 C43 C44 C45 0.4(5) . . . . ?
C43 C44 C45 C46 -0.3(5) . . . . ?
C42 C41 C46 C45 -0.8(5) . . . . ?
C26 C41 C46 C45 178.0(3) . . . . ?
C44 C45 C46 C41 0.5(5) . . . . ?
N5 C47 C48 C49 -1.8(5) . . . . ?
C47 C48 C49 C50 2.0(5) . . . . ?
C48 C49 C50 C51 -2.6(5) . . . . ?
C49 C50 C51 N5 3.0(4) . . . . ?
C49 C50 C51 C52 -173.5(3) . . . . ?
N5 C51 C52 C53 -176.3(3) . . . . ?
C50 C51 C52 C53 0.3(6) . . . . ?
N5 C51 C52 N6 -3.7(5) . . . . ?
C50 C51 C52 N6 172.9(3) . . . . ?
N6 C52 C53 C54 1.1(5) . . . . ?
C51 C52 C53 C54 173.6(4) . . . . ?
C52 C53 C54 C55 -0.1(5) . . . . ?
C53 C54 C55 C56 0.4(5) . . . . ?
C54 C55 C56 N6 -1.7(5) . . . . ?
N7 C57 C58 C59 -2.6(5) . . . . ?
C57 C58 C59 C60 2.7(5) . . . . ?
C58 C59 C60 C61 -2.0(5) . . . . ?
C59 C60 C61 C62 175.4(4) . . . . ?
C59 C60 C61 N7 1.4(5) . . . . ?
N7 C61 C62 C63 174.9(3) . . . . ?
C60 C61 C62 C63 0.2(6) . . . . ?
N7 C61 C62 N8 1.8(5) . . . . ?
C60 C61 C62 N8 -172.9(3) . . . . ?
C61 C62 C63 C64 -172.1(3) . . . . ?
N8 C62 C63 C64 1.0(5) . . . . ?
C62 C63 C64 C65 -1.1(5) . . . . ?
C63 C64 C65 C66 -0.7(5) . . . . ?
C64 C65 C66 N8 2.5(5) . . . . ?
C2 C3 N1 N2 2.3(3) . . . . ?
C18 C3 N1 N2 -177.1(2) . . . . ?
C2 C3 N1 Pd1 174.86(19) . . . . ?
C18 C3 N1 Pd1 -4.6(4) . . . . ?
C2 C1 N2 N1 -1.8(3) . . . . ?
C12 C1 N2 N1 176.3(2) . . . . ?
C2 C1 N2 Pd2 159.5(2) . . . . ?
C12 C1 N2 Pd2 -22.3(4) . . . . ?
C3 N1 N2 C1 -0.3(3) . . . . ?
Pd1 N1 N2 C1 -174.24(16) . . . . ?
C3 N1 N2 Pd2 -166.41(15) . . . . ?
Pd1 N1 N2 Pd2 19.7(3) . . . . ?
C25 C26 N3 N4 -1.6(3) . . . . ?
C41 C26 N3 N4 178.1(2) . . . . ?
C25 C26 N3 Pd1 168.01(17) . . . . ?
C41 C26 N3 Pd1 -12.3(4) . . . . ?
C26 N3 N4 C24 2.9(3) . . . . ?
Pd1 N3 N4 C24 -168.94(14) . . . . ?
C26 N3 N4 Pd2 -172.03(14) . . . . ?
Pd1 N3 N4 Pd2 16.1(3) . . . . ?
C25 C24 N4 N3 -3.0(2) . . . . ?
C35 C24 N4 N3 176.2(2) . . . . ?
C25 C24 N4 Pd2 170.62(18) . . . . ?
C35 C24 N4 Pd2 -10.2(4) . . . . ?
C48 C47 N5 C51 2.2(4) . . . . ?
C48 C47 N5 Pd1 179.9(2) . . . . ?
C50 C51 N5 C47 -2.8(5) . . . . ?
C52 C51 N5 C47 174.1(3) . . . . ?
C50 C51 N5 Pd1 179.3(2) . . . . ?
C52 C51 N5 Pd1 -3.7(4) . . . . ?
C55 C56 N6 C52 2.8(5) . . . . ?
C55 C56 N6 Pd1 177.2(2) . . . . ?
C53 C52 N6 C56 -2.5(5) . . . . ?
C51 C52 N6 C56 -175.7(3) . . . . ?
C53 C52 N6 Pd1 -177.5(3) . . . . ?
C51 C52 N6 Pd1 9.3(4) . . . . ?
C62 C61 N7 C57 -176.3(3) . . . . ?
C60 C61 N7 C57 -1.3(5) . . . . ?
C62 C61 N7 Pd2 4.6(4) . . . . ?
C60 C61 N7 Pd2 179.6(2) . . . . ?
C58 C57 N7 C61 1.9(5) . . . . ?
C58 C57 N7 Pd2 -179.1(2) . . . . ?
C61 C62 N8 C66 174.1(3) . . . . ?
C63 C62 N8 C66 1.0(5) . . . . ?
C61 C62 N8 Pd2 -7.4(4) . . . . ?
C63 C62 N8 Pd2 179.5(3) . . . . ?
C65 C66 N8 C62 -2.7(5) . . . . ?
C65 C66 N8 Pd2 179.0(2) . . . . ?
C56 N6 Pd1 N1 -0.9(3) . . . . ?
C52 N6 Pd1 N1 173.9(2) . . . . ?
C56 N6 Pd1 N5 176.6(3) . . . . ?
C52 N6 Pd1 N5 -8.6(2) . . . . ?
C56 N6 Pd1 Pd2 61.5(3) . . . . ?
C52 N6 Pd1 Pd2 -123.7(2) . . . . ?
N2 N1 Pd1 N6 102.2(2) . . . . ?
C3 N1 Pd1 N6 -69.7(3) . . . . ?
N2 N1 Pd1 N3 -75.1(2) . . . . ?
C3 N1 Pd1 N3 113.0(3) . . . . ?
N2 N1 Pd1 Pd2 -13.1(2) . . . . ?
C3 N1 Pd1 Pd2 175.0(3) . . . . ?
N4 N3 Pd1 N1 50.8(2) . . . . ?
C26 N3 Pd1 N1 -118.5(2) . . . . ?
N4 N3 Pd1 N5 -126.7(2) . . . . ?
C26 N3 Pd1 N5 64.0(2) . . . . ?
N4 N3 Pd1 Pd2 -10.14(17) . . . . ?
C47 N5 Pd1 N6 -171.0(2) . . . . ?
C51 N5 Pd1 N6 6.9(3) . . . . ?
C47 N5 Pd1 N3 6.5(2) . . . . ?
C51 N5 Pd1 N3 -175.7(3) . . . . ?
C47 N5 Pd1 Pd2 -56.5(2) . . . . ?
C51 N5 Pd1 Pd2 121.3(2) . . . . ?
C62 N8 Pd2 N7 7.1(2) . . . . ?
C66 N8 Pd2 N7 -174.5(3) . . . . ?
C62 N8 Pd2 N2 -173.0(2) . . . . ?
C66 N8 Pd2 N2 5.4(3) . . . . ?
C62 N8 Pd2 Pd1 122.1(2) . . . . ?
C66 N8 Pd2 Pd1 -59.5(3) . . . . ?
C61 N7 Pd2 N8 -6.8(2) . . . . ?
C57 N7 Pd2 N8 174.2(3) . . . . ?
C61 N7 Pd2 N4 175.4(2) . . . . ?
C57 N7 Pd2 N4 -3.7(3) . . . . ?
C61 N7 Pd2 Pd1 -122.1(2) . . . . ?
C57 N7 Pd2 Pd1 58.8(3) . . . . ?
N3 N4 Pd2 N7 107.0(2) . . . . ?
C24 N4 Pd2 N7 -66.1(2) . . . . ?
N3 N4 Pd2 N2 -72.7(2) . . . . ?
C24 N4 Pd2 N2 114.2(2) . . . . ?
N3 N4 Pd2 Pd1 -10.47(17) . . . . ?
C24 N4 Pd2 Pd1 176.4(3) . . . . ?
C1 N2 Pd2 N8 69.8(3) . . . . ?
N1 N2 Pd2 N8 -129.2(2) . . . . ?
C1 N2 Pd2 N4 -112.3(3) . . . . ?
N1 N2 Pd2 N4 48.6(2) . . . . ?
C1 N2 Pd2 Pd1 -173.1(3) . . . . ?
N1 N2 Pd2 Pd1 -12.18(19) . . . . ?
N6 Pd1 Pd2 N8 9.04(12) . . . . ?
N1 Pd1 Pd2 N8 93.66(13) . . . . ?
N3 Pd1 Pd2 N8 -166.93(12) . . . . ?
N5 Pd1 Pd2 N8 -83.63(13) . . . . ?
N6 Pd1 Pd2 N7 100.00(12) . . . . ?
N1 Pd1 Pd2 N7 -175.39(13) . . . . ?
N3 Pd1 Pd2 N7 -75.97(12) . . . . ?
N5 Pd1 Pd2 N7 7.33(13) . . . . ?
N6 Pd1 Pd2 N4 -177.15(12) . . . . ?
N1 Pd1 Pd2 N4 -92.53(13) . . . . ?
N3 Pd1 Pd2 N4 6.88(12) . . . . ?
N5 Pd1 Pd2 N4 90.18(12) . . . . ?
N6 Pd1 Pd2 N2 -76.14(13) . . . . ?
N1 Pd1 Pd2 N2 8.48(14) . . . . ?
N3 Pd1 Pd2 N2 107.89(12) . . . . ?
N5 Pd1 Pd2 N2 -168.81(13) . . . . ?
