#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:10:29 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180028 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/22/7032222.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_7032222
loop_
_publ_author_name
'Jiang, Xuan-Feng'
'Deng, Wei'
'Jin, Rui'
'Qin, Lin'
'Yu, Shu-Yan'
_publ_section_title
;
 Self-assembly of tri-pyrazolate linked cages with di-palladium
 coordination motifs.
;
_journal_issue                   42
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16015
_journal_page_last               16024
_journal_paper_doi               10.1039/c4dt01745e
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         'C184 H164 N44 Pd10, 8(N O3), 12(H2 O)'
_chemical_formula_sum            'C184 H188 N52 O36 Pd10'
_chemical_formula_weight         4767.86
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                94.611(12)
_cell_angle_beta                 107.429(14)
_cell_angle_gamma                95.671(3)
_cell_formula_units_Z            1
_cell_length_a                   16.367(9)
_cell_length_b                   18.976(9)
_cell_length_c                   21.069(11)
_cell_measurement_reflns_used    7175
_cell_measurement_temperature    160(2)
_cell_measurement_theta_max      24.72
_cell_measurement_theta_min      2.12
_cell_volume                     6171(6)
_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      160(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0498
_diffrn_reflns_av_sigmaI/netI    0.0544
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            76199
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.02
_exptl_absorpt_coefficient_mu    0.778
_exptl_absorpt_correction_T_max  0.852
_exptl_absorpt_correction_T_min  0.811
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_density_diffrn    1.283
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2404
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.440
_refine_diff_density_min         -0.788
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     1408
_refine_ls_number_reflns         24276
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0760
_refine_ls_R_factor_gt           0.0582
_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)+(0.06P)²+1.66P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1249
_refine_ls_wR_factor_ref         0.1298
_reflns_number_gt                17989
_reflns_number_total             24276
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt01745e2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 7032219--7032223.cif.
;
_cod_original_cell_volume        6171(5)
_cod_original_sg_symbol_H-M      'P-1   '
_cod_database_code               7032222
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 0.4381(3) 0.2710(2) 0.5342(3) 0.0604(12) Uani 1 1 d .
C2 C 0.4588(4) 0.2332(3) 0.4820(3) 0.0673(13) Uani 1 1 d .
H2 H 0.4164 0.2232 0.4392 0.081 Uiso 1 1 calc R
C3 C 0.5403(3) 0.2094(3) 0.4911(3) 0.0631(13) Uani 1 1 d .
C4 C 0.5984(3) 0.2224(2) 0.5568(2) 0.0572(12) Uani 1 1 d .
H4 H 0.6532 0.2059 0.5651 0.069 Uiso 1 1 calc R
C5 C 0.5799(3) 0.2580(3) 0.6097(2) 0.0579(12) Uani 1 1 d .
C6 C 0.5009(3) 0.2824(3) 0.5978(3) 0.0656(13) Uani 1 1 d .
H6 H 0.4883 0.3077 0.6338 0.079 Uiso 1 1 calc R
C7 C 0.3689(3) 0.3665(3) 0.4147(3) 0.0628(12) Uani 1 1 d .
H7A H 0.3515 0.3334 0.3734 0.094 Uiso 1 1 calc R
H7B H 0.4316 0.3703 0.4355 0.094 Uiso 1 1 calc R
H7C H 0.3529 0.4136 0.4041 0.094 Uiso 1 1 calc R
C8 C 0.3244(3) 0.3395(3) 0.4621(3) 0.0609(12) Uani 1 1 d .
C9 C 0.3570(3) 0.3013(3) 0.5179(3) 0.0635(13) Uani 1 1 d .
C10 C 0.2922(3) 0.2969(3) 0.5513(3) 0.0622(12) Uani 1 1 d .
C11 C 0.2866(3) 0.2637(3) 0.6099(3) 0.0666(13) Uani 1 1 d .
H11A H 0.2732 0.2985 0.6411 0.100 Uiso 1 1 calc R
H11B H 0.3419 0.2473 0.6320 0.100 Uiso 1 1 calc R
H11C H 0.2409 0.2230 0.5962 0.100 Uiso 1 1 calc R
C12 C 0.4466(3) 0.0617(3) 0.3906(3) 0.0647(13) Uani 1 1 d .
H12A H 0.4196 0.0383 0.3448 0.097 Uiso 1 1 calc R
H12B H 0.4053 0.0887 0.4042 0.097 Uiso 1 1 calc R
H12C H 0.4635 0.0255 0.4210 0.097 Uiso 1 1 calc R
C13 C 0.5247(3) 0.1112(2) 0.3934(2) 0.0567(11) Uani 1 1 d .
C14 C 0.5649(4) 0.1738(3) 0.4365(3) 0.0675(13) Uani 1 1 d .
C15 C 0.6372(3) 0.1969(3) 0.4184(3) 0.0654(13) Uani 1 1 d .
C16 C 0.7020(3) 0.2597(3) 0.4456(3) 0.0616(13) Uani 1 1 d .
H16A H 0.7563 0.2448 0.4722 0.092 Uiso 1 1 calc R
H16B H 0.6814 0.2924 0.4741 0.092 Uiso 1 1 calc R
H16C H 0.7117 0.2841 0.4087 0.092 Uiso 1 1 calc R
C17 C 0.7752(3) 0.3443(3) 0.6583(2) 0.0583(12) Uani 1 1 d .
H17A H 0.8164 0.3825 0.6888 0.087 Uiso 1 1 calc R
H17B H 0.7338 0.3651 0.6233 0.087 Uiso 1 1 calc R
H17C H 0.8064 0.3126 0.6378 0.087 Uiso 1 1 calc R
C18 C 0.7281(3) 0.3027(3) 0.6967(3) 0.0656(14) Uani 1 1 d .
C19 C 0.6432(3) 0.2682(3) 0.6773(2) 0.0617(12) Uani 1 1 d .
C20 C 0.6333(3) 0.2418(3) 0.7374(2) 0.0593(12) Uani 1 1 d .
C21 C 0.5572(3) 0.1968(3) 0.7432(3) 0.0609(12) Uani 1 1 d .
H21A H 0.5763 0.1635 0.7761 0.091 Uiso 1 1 calc R
H21B H 0.5253 0.1701 0.6996 0.091 Uiso 1 1 calc R
H21C H 0.5195 0.2272 0.7577 0.091 Uiso 1 1 calc R
C22 C 0.8142(3) -0.0932(3) 0.6385(2) 0.0600(12) Uani 1 1 d .
C23 C 0.7924(3) -0.0805(3) 0.5730(3) 0.0624(12) Uani 1 1 d .
H23 H 0.7826 -0.1195 0.5393 0.075 Uiso 1 1 calc R
C24 C 0.7843(3) -0.0130(3) 0.5545(2) 0.0591(12) Uani 1 1 d .
C25 C 0.8000(3) 0.0445(3) 0.6043(2) 0.0631(13) Uani 1 1 d .
H25 H 0.7961 0.0916 0.5924 0.076 Uiso 1 1 calc R
C26 C 0.8219(3) 0.0326(3) 0.6731(2) 0.0636(13) Uani 1 1 d .
C27 C 0.8270(3) -0.0370(3) 0.6892(3) 0.0606(12) Uani 1 1 d .
H27 H 0.8392 -0.0463 0.7345 0.073 Uiso 1 1 calc R
C28 C 0.7263(3) -0.1757(3) 0.7398(2) 0.0647(13) Uani 1 1 d .
H28A H 0.6733 -0.2090 0.7300 0.097 Uiso 1 1 calc R
H28B H 0.7115 -0.1283 0.7291 0.097 Uiso 1 1 calc R
H28C H 0.7590 -0.1730 0.7874 0.097 Uiso 1 1 calc R
C29 C 0.7806(3) -0.2013(3) 0.6980(3) 0.0619(12) Uani 1 1 d .
C30 C 0.8195(4) -0.1676(3) 0.6565(3) 0.0648(13) Uani 1 1 d .
C31 C 0.8630(4) -0.2185(3) 0.6314(3) 0.0716(15) Uani 1 1 d .
C32 C 0.9199(3) -0.2120(3) 0.5877(3) 0.0666(14) Uani 1 1 d .
H32A H 0.9483 -0.2551 0.5870 0.100 Uiso 1 1 calc R
H32B H 0.9638 -0.1703 0.6054 0.100 Uiso 1 1 calc R
H32C H 0.8849 -0.2065 0.5421 0.100 Uiso 1 1 calc R
C33 C 0.6202(4) -0.0899(3) 0.4320(3) 0.0691(14) Uani 1 1 d .
H33A H 0.5643 -0.0853 0.3997 0.104 Uiso 1 1 calc R
H33B H 0.6144 -0.0895 0.4770 0.104 Uiso 1 1 calc R
H33C H 0.6395 -0.1349 0.4198 0.104 Uiso 1 1 calc R
C34 C 0.6845(3) -0.0296(3) 0.4312(2) 0.0632(13) Uani 1 1 d .
C35 C 0.7592(3) 0.0054(2) 0.4837(2) 0.0562(11) Uani 1 1 d .
C36 C 0.7948(3) 0.0586(3) 0.4571(3) 0.0623(12) Uani 1 1 d .
C37 C 0.8717(4) 0.1129(3) 0.4885(3) 0.0707(14) Uani 1 1 d .
H37A H 0.9242 0.0897 0.4971 0.106 Uiso 1 1 calc R
H37B H 0.8679 0.1354 0.5309 0.106 Uiso 1 1 calc R
H37C H 0.8734 0.1492 0.4583 0.106 Uiso 1 1 calc R
C38 C 0.9322(3) 0.1885(3) 0.6925(2) 0.0651(13) Uani 1 1 d .
H38A H 0.9617 0.2360 0.7132 0.098 Uiso 1 1 calc R
H38B H 0.8943 0.1918 0.6472 0.098 Uiso 1 1 calc R
H38C H 0.9752 0.1568 0.6900 0.098 Uiso 1 1 calc R
C39 C 0.8821(3) 0.1607(3) 0.7317(2) 0.0632(13) Uani 1 1 d .
C40 C 0.8315(3) 0.0923(3) 0.7247(2) 0.0584(12) Uani 1 1 d .
C41 C 0.7953(3) 0.0953(2) 0.7751(3) 0.0609(12) Uani 1 1 d .
C42 C 0.7330(4) 0.0372(3) 0.7908(3) 0.0676(13) Uani 1 1 d .
H42A H 0.7652 0.0131 0.8281 0.101 Uiso 1 1 calc R
H42B H 0.7069 0.0023 0.7511 0.101 Uiso 1 1 calc R
H42C H 0.6875 0.0594 0.8031 0.101 Uiso 1 1 calc R
C43 C 0.0196(3) 0.3715(3) 0.2472(2) 0.0599(12) Uani 1 1 d .
H43 H 0.0363 0.3259 0.2392 0.072 Uiso 1 1 calc R
C44 C -0.0459(3) 0.3954(3) 0.1976(3) 0.0599(12) Uani 1 1 d .
H44 H -0.0743 0.3662 0.1565 0.072 Uiso 1 1 calc R
C45 C -0.0687(4) 0.4627(3) 0.2094(3) 0.0637(13) Uani 1 1 d .
H45 H -0.1146 0.4797 0.1773 0.076 Uiso 1 1 calc R
C46 C -0.0238(3) 0.5043(3) 0.2684(2) 0.0609(12) Uani 1 1 d .
H46 H -0.0362 0.5515 0.2762 0.073 Uiso 1 1 calc R
C47 C 0.0399(4) 0.4773(3) 0.3166(3) 0.0651(13) Uani 1 1 d .
C48 C 0.0906(3) 0.5181(2) 0.3830(3) 0.0615(12) Uani 1 1 d .
C49 C 0.0757(3) 0.5832(3) 0.4069(3) 0.0719(15) Uani 1 1 d .
H49 H 0.0313 0.6064 0.3797 0.086 Uiso 1 1 calc R
C50 C 0.1243(3) 0.6161(3) 0.4701(2) 0.0611(12) Uani 1 1 d .
H50 H 0.1169 0.6626 0.4857 0.073 Uiso 1 1 calc R
C51 C 0.1842(3) 0.5778(3) 0.5093(2) 0.0594(12) Uani 1 1 d .
H51 H 0.2172 0.5975 0.5536 0.071 Uiso 1 1 calc R
C52 C 0.1964(3) 0.5104(3) 0.4844(2) 0.0615(12) Uani 1 1 d .
H52 H 0.2384 0.4851 0.5115 0.074 Uiso 1 1 calc R
C53 C 0.4418(3) 0.0772(3) 0.2014(2) 0.0634(13) Uani 1 1 d .
H53 H 0.4509 0.1140 0.2371 0.076 Uiso 1 1 calc R
C54 C 0.3798(3) 0.0805(3) 0.1395(2) 0.0615(12) Uani 1 1 d .
H54 H 0.3463 0.1190 0.1332 0.074 Uiso 1 1 calc R
C55 C 0.3682(3) 0.0273(3) 0.0879(2) 0.0599(12) Uani 1 1 d .
H55 H 0.3254 0.0284 0.0462 0.072 Uiso 1 1 calc R
C56 C 0.4180(3) -0.0269(3) 0.0966(2) 0.0568(11) Uani 1 1 d .
H56 H 0.4119 -0.0631 0.0610 0.068 Uiso 1 1 calc R
C57 C 0.4777(3) -0.0276(3) 0.1590(2) 0.0631(13) Uani 1 1 d .
C58 C 0.5390(3) -0.0826(3) 0.1744(3) 0.0598(12) Uani 1 1 d .
C59 C 0.5412(3) -0.1377(3) 0.1290(3) 0.0654(13) Uani 1 1 d .
H59 H 0.5038 -0.1421 0.0842 0.078 Uiso 1 1 calc R
C60 C 0.6002(3) -0.1885(3) 0.1492(3) 0.0648(13) Uani 1 1 d .
H60 H 0.6010 -0.2282 0.1191 0.078 Uiso 1 1 calc R
C61 C 0.6561(3) -0.1779(3) 0.2141(2) 0.0634(13) Uani 1 1 d .
H61 H 0.6949 -0.2112 0.2304 0.076 Uiso 1 1 calc R
C62 C 0.6538(3) -0.1172(3) 0.2550(2) 0.0608(12) Uani 1 1 d .
H62 H 0.6959 -0.1074 0.2980 0.073 Uiso 1 1 calc R
C63 C 0.8877(3) 0.0632(3) 0.3125(3) 0.0633(13) Uani 1 1 d .
H63 H 0.8743 0.0294 0.3400 0.076 Uiso 1 1 calc R
C64 C 0.9538(3) 0.0567(3) 0.2890(2) 0.0626(12) Uani 1 1 d .
H64 H 0.9888 0.0199 0.3015 0.075 Uiso 1 1 calc R
C65 C 0.9723(3) 0.1049(3) 0.2450(3) 0.0666(13) Uani 1 1 d .
H65 H 1.0192 0.1010 0.2277 0.080 Uiso 1 1 calc R
C66 C 0.9183(3) 0.1587(3) 0.2283(2) 0.0611(12) Uani 1 1 d .
H66 H 0.9280 0.1917 0.1989 0.073 Uiso 1 1 calc R
C67 C 0.8532(3) 0.1629(3) 0.2542(2) 0.0608(12) Uani 1 1 d .
C68 C 0.7916(3) 0.2157(3) 0.2390(3) 0.0630(13) Uani 1 1 d .
C69 C 0.7881(4) 0.2654(3) 0.1924(3) 0.0644(13) Uani 1 1 d .
H69 H 0.8284 0.2666 0.1680 0.077 Uiso 1 1 calc R
C70 C 0.7280(3) 0.3119(3) 0.1815(3) 0.0633(13) Uani 1 1 d .
H70 H 0.7298 0.3481 0.1532 0.076 Uiso 1 1 calc R
C71 C 0.6644(3) 0.3051(3) 0.2124(3) 0.0619(12) Uani 1 1 d .
H71 H 0.6181 0.3330 0.2017 0.074 Uiso 1 1 calc R
C72 C 0.6693(3) 0.2574(3) 0.2590(3) 0.0639(13) Uani 1 1 d .
H72 H 0.6294 0.2561 0.2838 0.077 Uiso 1 1 calc R
C73 C 0.8477(3) 0.4524(2) 0.8380(3) 0.0617(12) Uani 1 1 d .
H73 H 0.7924 0.4353 0.8072 0.074 Uiso 1 1 calc R
C74 C 0.8626(3) 0.5206(3) 0.8702(2) 0.0584(12) Uani 1 1 d .
H74 H 0.8174 0.5496 0.8637 0.070 Uiso 1 1 calc R
C75 C 0.9473(3) 0.5468(3) 0.9135(3) 0.0637(13) Uani 1 1 d .
H75 H 0.9605 0.5948 0.9338 0.076 Uiso 1 1 calc R
C76 C 1.0113(3) 0.5005(3) 0.9257(2) 0.0610(12) Uani 1 1 d .
H76 H 1.0678 0.5165 0.9553 0.073 Uiso 1 1 calc R
C77 C 0.9904(3) 0.4300(3) 0.8934(3) 0.0651(13) Uani 1 1 d .
C78 C 1.0502(3) 0.3774(3) 0.9018(3) 0.0656(14) Uani 1 1 d .
C79 C 1.1379(3) 0.3902(3) 0.9418(3) 0.0642(13) Uani 1 1 d .
H79 H 1.1623 0.4356 0.9660 0.077 Uiso 1 1 calc R
C80 C 1.1878(3) 0.3336(3) 0.9445(2) 0.0629(13) Uani 1 1 d .
H80 H 1.2472 0.3407 0.9703 0.075 Uiso 1 1 calc R
C81 C 1.1518(3) 0.2696(3) 0.9109(3) 0.0666(14) Uani 1 1 d .
H81 H 1.1849 0.2308 0.9147 0.080 Uiso 1 1 calc R
C82 C 1.0682(3) 0.2601(3) 0.8714(3) 0.0680(14) Uani 1 1 d .
H82 H 1.0448 0.2149 0.8464 0.082 Uiso 1 1 calc R
C83 C 0.8576(3) 0.1104(2) 0.9558(2) 0.0569(11) Uani 1 1 d .
H83 H 0.8850 0.1032 0.9223 0.068 Uiso 1 1 calc R
C84 C 0.8797(3) 0.0734(3) 1.0119(3) 0.0609(12) Uani 1 1 d .
H84 H 0.9241 0.0435 1.0183 0.073 Uiso 1 1 calc R
C85 C 0.8344(3) 0.0815(3) 1.0592(2) 0.0587(12) Uani 1 1 d .
H85 H 0.8457 0.0547 1.0964 0.070 Uiso 1 1 calc R
C86 C 0.7734(3) 0.1286(3) 1.0510(2) 0.0617(12) Uani 1 1 d .
H86 H 0.7436 0.1355 1.0829 0.074 Uiso 1 1 calc R
C87 C 0.7562(3) 0.1666(3) 0.9936(2) 0.0552(11) Uani 1 1 d .
C88 C 0.6930(3) 0.2186(3) 0.9804(2) 0.0553(11) Uani 1 1 d .
C89 C 0.6416(3) 0.2364(3) 1.0205(2) 0.0620(12) Uani 1 1 d .
H89 H 0.6410 0.2118 1.0579 0.074 Uiso 1 1 calc R
C90 C 0.5948(3) 0.2877(3) 1.0048(3) 0.0605(12) Uani 1 1 d .
H90 H 0.5644 0.3027 1.0344 0.073 Uiso 1 1 calc R
C91 C 0.5858(3) 0.3232(3) 0.9464(3) 0.0593(12) Uani 1 1 d .
H91 H 0.5484 0.3586 0.9348 0.071 Uiso 1 1 calc R
C92 C 0.6361(3) 0.3017(3) 0.9085(3) 0.0580(11) Uani 1 1 d .
H92 H 0.6344 0.3247 0.8698 0.070 Uiso 1 1 calc R
N1 N 0.2464(3) 0.3589(2) 0.46185(18) 0.0579(10) Uani 1 1 d .
N2 N 0.2261(3) 0.3313(2) 0.5145(2) 0.0621(10) Uani 1 1 d .
N3 N 0.5695(3) 0.1012(2) 0.3510(2) 0.0641(11) Uani 1 1 d .
N4 N 0.6378(2) 0.1534(2) 0.36412(18) 0.0523(9) Uani 1 1 d .
N5 N 0.7635(3) 0.2976(2) 0.7628(2) 0.0592(10) Uani 1 1 d .
N6 N 0.7075(3) 0.2589(2) 0.7864(2) 0.0594(10) Uani 1 1 d .
N7 N 0.7988(3) -0.2694(2) 0.6980(2) 0.0652(11) Uani 1 1 d .
N8 N 0.8484(3) -0.2810(2) 0.6575(2) 0.0691(12) Uani 1 1 d .
N9 N 0.6831(3) 0.0033(2) 0.3765(2) 0.0623(10) Uani 1 1 d .
N10 N 0.7490(3) 0.0573(2) 0.3926(2) 0.0601(10) Uani 1 1 d .
N11 N 0.8720(2) 0.1986(2) 0.7864(2) 0.0596(10) Uani 1 1 d .
N12 N 0.8189(2) 0.1579(2) 0.81152(18) 0.0522(9) Uani 1 1 d .
N13 N 0.0591(3) 0.4110(2) 0.3053(2) 0.0599(10) Uani 1 1 d .
N14 N 0.1487(3) 0.4809(2) 0.4218(2) 0.0601(10) Uani 1 1 d .
N15 N 0.4874(3) 0.0235(2) 0.2105(2) 0.0607(10) Uani 1 1 d .
N16 N 0.5972(3) -0.0730(2) 0.2377(2) 0.0641(11) Uani 1 1 d .
N17 N 0.8384(2) 0.1176(2) 0.2978(2) 0.0575(10) Uani 1 1 d .
N18 N 0.7301(3) 0.2122(2) 0.2700(2) 0.0593(10) Uani 1 1 d .
N19 N 0.9107(3) 0.4086(2) 0.8494(2) 0.0641(11) Uani 1 1 d .
N20 N 1.0185(3) 0.3106(2) 0.8664(2) 0.0610(10) Uani 1 1 d .
N21 N 0.7980(3) 0.1565(2) 0.9481(2) 0.0587(10) Uani 1 1 d .
N22 N 0.6868(2) 0.25091(19) 0.92246(18) 0.0512(9) Uani 1 1 d .
N23 N 0.8528(3) 0.6632(2) 0.2576(2) 0.0606(10) Uani 1 1 d .
N24 N 0.0212(3) 0.2352(2) 0.1017(2) 0.0623(10) Uani 1 1 d .
N25 N 0.6737(3) 0.0298(2) 0.1297(2) 0.0645(11) Uani 1 1 d .
N26 N 0.9040(3) 0.3552(2) 0.3830(2) 0.0654(11) Uani 1 1 d .
O1 O 0.8189(2) 0.60381(18) 0.22423(16) 0.0610(8) Uani 1 1 d .
O2 O 0.8101(2) 0.71444(19) 0.25448(17) 0.0672(9) Uani 1 1 d .
O3 O 0.9276(2) 0.67275(19) 0.29644(18) 0.0667(9) Uani 1 1 d .
O4 O -0.0505(2) 0.25492(18) 0.09877(16) 0.0651(9) Uani 1 1 d .
O5 O 0.0596(2) 0.20622(19) 0.15068(18) 0.0682(9) Uani 1 1 d .
O6 O 0.0584(2) 0.25438(18) 0.06145(18) 0.0652(9) Uani 1 1 d .
O7 O 0.6499(2) 0.08862(19) 0.14190(18) 0.0700(9) Uani 1 1 d .
O8 O 0.6381(2) -0.00595(18) 0.07415(17) 0.0629(8) Uani 1 1 d .
O9 O 0.7312(2) 0.00558(18) 0.17349(17) 0.0657(9) Uani 1 1 d .
O10 O 0.9656(2) 0.40006(18) 0.41595(17) 0.0637(9) Uani 1 1 d .
O11 O 0.8438(2) 0.37287(17) 0.33823(17) 0.0619(8) Uani 1 1 d .
O12 O 0.9010(2) 0.29208(17) 0.39598(16) 0.0617(8) Uani 1 1 d .
O1W O 0.0176(7) 0.0596(6) 0.8897(5) 0.059(3) Uani 0.30 1 d P
H1X H 0.0468 0.0742 0.8650 0.071 Uiso 0.30 1 d PR
H1Y H -0.0304 0.0370 0.8652 0.071 Uiso 0.30 1 d PR
O2W O 0.9734(6) 0.7533(5) 0.4213(5) 0.054(2) Uani 0.30 1 d P
H2X H 0.9398 0.7290 0.4376 0.065 Uiso 0.30 1 d PR
H2Y H 0.9953 0.7919 0.4469 0.065 Uiso 0.30 1 d PR
O3W O 0.8436(6) 0.5228(5) 0.3628(5) 0.049(2) Uani 0.30 1 d P
H3X H 0.8681 0.5655 0.3739 0.059 Uiso 0.30 1 d PR
H3Y H 0.8598 0.4990 0.3958 0.059 Uiso 0.30 1 d PR
O4W O 0.1234(7) 0.1211(6) 0.0176(5) 0.062(3) Uani 0.30 1 d P
H4X H 0.1295 0.0776 0.0216 0.074 Uiso 0.30 1 d PR
H4Y H 0.1113 0.1277 -0.0234 0.074 Uiso 0.30 1 d PR
O5W O 0.4116(8) 0.2033(6) 0.0299(5) 0.066(3) Uani 0.30 1 d P
H5X H 0.3601 0.1885 0.0279 0.079 Uiso 0.30 1 d PR
H5Y H 0.4178 0.2484 0.0312 0.079 Uiso 0.30 1 d PR
O6W O 0.2387(6) 0.3324(5) 0.1123(5) 0.055(3) Uani 0.30 1 d P
H6X H 0.2713 0.3085 0.0970 0.066 Uiso 0.30 1 d PR
H6Y H 0.1938 0.3371 0.0806 0.066 Uiso 0.30 1 d PR
O7W O 0.0959(7) 0.1230(6) 0.5599(5) 0.063(3) Uani 0.30 1 d P
H7X H 0.0632 0.1489 0.5730 0.076 Uiso 0.30 1 d PR
H7Y H 0.0709 0.0803 0.5491 0.076 Uiso 0.30 1 d PR
O8W O 0.4426(8) 0.3620(5) 0.7514(5) 0.062(3) Uani 0.30 1 d P
H8X H 0.3998 0.3325 0.7276 0.075 Uiso 0.30 1 d PR
H8Y H 0.4879 0.3527 0.7423 0.075 Uiso 0.30 1 d PR
O9W O 0.7397(7) 0.8703(6) 0.0224(6) 0.067(3) Uani 0.30 1 d P
H9X H 0.7828 0.9021 0.0400 0.081 Uiso 0.30 1 d PR
H9Y H 0.7521 0.8404 -0.0044 0.081 Uiso 0.30 1 d PR
O11W O 0.4292(6) 0.5154(6) 0.5721(5) 0.056(3) Uani 0.30 1 d P
H11X H 0.3900 0.5002 0.5882 0.084 Uiso 0.30 1 d PR
H11Y H 0.4282 0.5597 0.5687 0.084 Uiso 0.30 1 d PR
O12W O 0.4003(6) 0.2856(6) 0.1364(6) 0.056(3) Uani 0.30 1 d P
H12X H 0.4029 0.3057 0.1746 0.067 Uiso 0.30 1 d PR
H12Y H 0.4046 0.2415 0.1387 0.067 Uiso 0.30 1 d PR
O13W O 0.8782(6) 0.8463(6) 0.2444(5) 0.058(3) Uani 0.30 1 d P
H13X H 0.8448 0.8073 0.2368 0.069 Uiso 0.30 1 d PR
H13Y H 0.8506 0.8808 0.2498 0.069 Uiso 0.30 1 d PR
O14W O 0.4099(7) 0.4564(6) 0.9595(6) 0.070(3) Uani 0.30 1 d P
H14X H 0.4295 0.4727 0.9297 0.084 Uiso 0.30 1 d PR
H14Y H 0.4289 0.4849 0.9954 0.084 Uiso 0.30 1 d PR
O15W O 0.5438(7) 0.4624(6) 0.6170(6) 0.067(3) Uani 0.30 1 d P
H15X H 0.5300 0.4618 0.6528 0.080 Uiso 0.30 1 d PR
H15Y H 0.5978 0.4749 0.6268 0.080 Uiso 0.30 1 d PR
O16W O 0.7037(6) 0.4928(6) 0.2844(5) 0.054(2) Uani 0.30 1 d P
H16X H 0.6782 0.4715 0.3086 0.065 Uiso 0.30 1 d PR
H16Y H 0.7101 0.5375 0.2956 0.065 Uiso 0.30 1 d PR
O17W O 0.5533(6) 0.4572(3) 0.2035(4) 0.038(2) Uani 0.30 1 d P
H17X H 0.5548 0.4568 0.1635 0.046 Uiso 0.30 1 d PR
H17Y H 0.5206 0.4871 0.2105 0.046 Uiso 0.30 1 d PR
O18W O 0.6251(6) 0.4758(6) 0.8588(5) 0.059(3) Uani 0.30 1 d P
H18X H 0.6590 0.4467 0.8765 0.071 Uiso 0.30 1 d PR
H18Y H 0.6452 0.5177 0.8783 0.071 Uiso 0.30 1 d PR
O19W O 0.7092(7) 0.5179(7) 0.6743(5) 0.069(3) Uani 0.30 1 d P
H19X H 0.7199 0.5539 0.7036 0.082 Uiso 0.30 1 d PR
H19Y H 0.7615 0.5168 0.6759 0.082 Uiso 0.30 1 d PR
O20W O 0.4850(6) 0.6721(6) 0.6805(5) 0.056(3) Uani 0.30 1 d P
H20X H 0.5239 0.6458 0.6794 0.067 Uiso 0.30 1 d PR
H20Y H 0.5016 0.6999 0.7169 0.067 Uiso 0.30 1 d PR
O10W O 0.2016(7) 0.6241(6) 0.9411(5) 0.059(3) Uani 0.30 1 d P
H10X H 0.1891 0.5792 0.9313 0.071 Uiso 0.30 1 d PR
H10Y H 0.2451 0.6332 0.9762 0.071 Uiso 0.30 1 d PR
Pd1 Pd 0.15213(2) 0.381560(18) 0.383070(18) 0.05141(9) Uani 1 1 d .
Pd2 Pd 0.58298(2) 0.012975(18) 0.295252(17) 0.05188(9) Uani 1 1 d .
Pd3 Pd 0.73828(2) 0.134856(18) 0.331791(17) 0.04966(9) Uani 1 1 d .
Pd4 Pd 0.89119(2) 0.303688(19) 0.814080(17) 0.05196(9) Uani 1 1 d .
Pd5 Pd 0.75531(2) 0.208496(17) 0.867062(16) 0.04496(8) 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'
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'
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
C2 C1 C6 117.5(5) . .
C2 C1 C9 118.3(5) . .
C6 C1 C9 124.0(5) . .
C1 C2 C3 122.4(5) . .
C1 C2 H2 118.8 . .
C3 C2 H2 118.8 . .
C4 C3 C2 115.9(5) . .
C4 C3 C14 120.9(5) . .
C2 C3 C14 123.2(5) . .
C5 C4 C3 123.5(5) . .
C5 C4 H4 118.3 . .
C3 C4 H4 118.3 . .
C6 C5 C4 118.4(5) . .
C6 C5 C19 121.2(5) . .
C4 C5 C19 120.4(5) . .
C5 C6 C1 122.3(5) . .
C5 C6 H6 118.9 . .
C1 C6 H6 118.9 . .
C8 C7 H7A 109.5 . .
C8 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C8 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
N1 C8 C9 109.6(4) . .
N1 C8 C7 121.0(4) . .
C9 C8 C7 128.8(5) . .
C8 C9 C10 105.9(4) . .
C8 C9 C1 125.5(5) . .
C10 C9 C1 128.6(5) . .
N2 C10 C9 106.0(4) . .
N2 C10 C11 121.6(5) . .
C9 C10 C11 132.4(5) . .
C10 C11 H11A 109.5 . .
C10 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C10 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C13 C12 H12A 109.5 . .
C13 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C13 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
N3 C13 C14 107.2(4) . .
N3 C13 C12 122.3(4) . .
C14 C13 C12 130.5(5) . .
C15 C14 C13 106.1(5) . .
C15 C14 C3 124.5(5) . .
C13 C14 C3 129.4(5) . .
N4 C15 C14 108.6(4) . .
N4 C15 C16 121.2(4) . .
C14 C15 C16 130.0(5) . .
C15 C16 H16A 109.5 . .
C15 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C15 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C18 C17 H17A 109.5 . .
C18 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C18 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
N5 C18 C19 107.3(4) . .
N5 C18 C17 121.9(4) . .
C19 C18 C17 130.6(5) . .
C18 C19 C20 104.8(4) . .
C18 C19 C5 127.3(5) . .
C20 C19 C5 127.8(5) . .
N6 C20 C19 108.5(4) . .
N6 C20 C21 124.5(4) . .
C19 C20 C21 126.7(4) . .
C20 C21 H21A 109.5 . .
C20 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C20 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C23 C22 C27 120.2(5) . .
C23 C22 C30 120.3(5) . .
C27 C22 C30 119.3(5) . .
C22 C23 C24 122.0(5) . .
C22 C23 H23 119.0 . .
C24 C23 H23 119.0 . .
C23 C24 C25 119.0(5) . .
C23 C24 C35 125.3(5) . .
C25 C24 C35 115.7(4) . .
C24 C25 C26 120.1(5) . .
C24 C25 H25 119.9 . .
C26 C25 H25 119.9 . .
C27 C26 C25 118.7(5) . .
C27 C26 C40 121.3(5) . .
C25 C26 C40 119.8(5) . .
C26 C27 C22 119.9(5) . .
C26 C27 H27 120.0 . .
C22 C27 H27 120.0 . .
C29 C28 H28A 109.5 . .
C29 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C29 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
N7 C29 C30 108.2(4) . .
N7 C29 C28 119.5(4) . .
C30 C29 C28 132.3(5) . .
C29 C30 C31 106.7(5) . .
C29 C30 C22 127.5(5) . .
C31 C30 C22 125.8(5) . .
N8 C31 C30 107.4(5) . .
N8 C31 C32 121.5(4) . .
C30 C31 C32 131.1(5) . .
C31 C32 H32A 109.5 . .
C31 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C31 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C34 C33 H33A 109.5 . .
C34 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
C34 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
N9 C34 C35 105.8(4) . .
N9 C34 C33 124.0(4) . .
C35 C34 C33 130.2(5) . .
C36 C35 C34 106.5(4) . .
C36 C35 C24 129.4(4) . .
C34 C35 C24 123.9(4) . .
N10 C36 C35 109.2(4) . .
N10 C36 C37 120.5(4) . .
C35 C36 C37 130.3(5) . .
C36 C37 H37A 109.5 . .
C36 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
C36 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
C39 C38 H38A 109.5 . .
C39 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C39 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
N11 C39 C38 123.8(4) . .
N11 C39 C40 105.2(4) . .
C38 C39 C40 130.9(5) . .
C41 C40 C39 105.9(4) . .
C41 C40 C26 128.1(5) . .
C39 C40 C26 126.0(5) . .
N12 C41 C40 110.6(4) . .
N12 C41 C42 121.1(4) . .
C40 C41 C42 128.3(5) . .
C41 C42 H42A 109.5 . .
C41 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
C41 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
N13 C43 C44 121.6(4) . .
N13 C43 H43 119.2 . .
C44 C43 H43 119.2 . .
C45 C44 C43 118.7(5) . .
C45 C44 H44 120.7 . .
C43 C44 H44 120.7 . .
C46 C45 C44 118.8(5) . .
C46 C45 H45 120.6 . .
C44 C45 H45 120.6 . .
C45 C46 C47 120.0(5) . .
C45 C46 H46 120.0 . .
C47 C46 H46 120.0 . .
N13 C47 C46 120.4(4) . .
N13 C47 C48 115.9(4) . .
C46 C47 C48 123.7(5) . .
N14 C48 C49 121.4(4) . .
N14 C48 C47 113.2(4) . .
C49 C48 C47 125.1(5) . .
C48 C49 C50 121.1(5) . .
C48 C49 H49 119.4 . .
C50 C49 H49 119.4 . .
C51 C50 C49 117.0(5) . .
C51 C50 H50 121.5 . .
C49 C50 H50 121.5 . .
C50 C51 C52 120.6(5) . .
C50 C51 H51 119.7 . .
C52 C51 H51 119.7 . .
N14 C52 C51 120.5(4) . .
N14 C52 H52 119.8 . .
C51 C52 H52 119.8 . .
N15 C53 C54 120.6(4) . .
N15 C53 H53 119.7 . .
C54 C53 H53 119.7 . .
C55 C54 C53 119.1(5) . .
C55 C54 H54 120.5 . .
C53 C54 H54 120.5 . .
C56 C55 C54 120.3(5) . .
C56 C55 H55 119.9 . .
C54 C55 H55 119.9 . .
C55 C56 C57 117.9(5) . .
C55 C56 H56 121.0 . .
C57 C56 H56 121.0 . .
N15 C57 C56 121.9(4) . .
N15 C57 C58 114.7(4) . .
C56 C57 C58 123.3(5) . .
C59 C58 N16 120.3(4) . .
C59 C58 C57 124.0(5) . .
N16 C58 C57 115.6(4) . .
C58 C59 C60 119.7(5) . .
C58 C59 H59 120.1 . .
C60 C59 H59 120.1 . .
C61 C60 C59 117.9(5) . .
C61 C60 H60 121.1 . .
C59 C60 H60 121.1 . .
C60 C61 C62 118.2(5) . .
C60 C61 H61 120.9 . .
C62 C61 H61 120.9 . .
N16 C62 C61 123.7(4) . .
N16 C62 H62 118.2 . .
C61 C62 H62 118.2 . .
C64 C63 N17 121.3(5) . .
C64 C63 H63 119.3 . .
N17 C63 H63 119.3 . .
C63 C64 C65 120.2(5) . .
C63 C64 H64 119.9 . .
C65 C64 H64 119.9 . .
C66 C65 C64 117.4(5) . .
C66 C65 H65 121.3 . .
C64 C65 H65 121.3 . .
C67 C66 C65 119.6(5) . .
C67 C66 H66 120.2 . .
C65 C66 H66 120.2 . .
C66 C67 N17 121.9(5) . .
C66 C67 C68 124.2(5) . .
N17 C67 C68 113.9(4) . .
N18 C68 C69 118.0(4) . .
N18 C68 C67 116.0(4) . .
C69 C68 C67 125.9(5) . .
C70 C69 C68 121.5(5) . .
C70 C69 H69 119.3 . .
C68 C69 H69 119.3 . .
C69 C70 C71 118.7(5) . .
C69 C70 H70 120.6 . .
C71 C70 H70 120.6 . .
C72 C71 C70 119.1(5) . .
C72 C71 H71 120.4 . .
C70 C71 H71 120.4 . .
N18 C72 C71 121.1(5) . .
N18 C72 H72 119.5 . .
C71 C72 H72 119.5 . .
N19 C73 C74 121.5(4) . .
N19 C73 H73 119.3 . .
C74 C73 H73 119.3 . .
C73 C74 C75 118.7(5) . .
C73 C74 H74 120.7 . .
C75 C74 H74 120.7 . .
C76 C75 C74 119.1(5) . .
C76 C75 H75 120.5 . .
C74 C75 H75 120.5 . .
C77 C76 C75 119.1(5) . .
C77 C76 H76 120.4 . .
C75 C76 H76 120.4 . .
N19 C77 C76 119.9(4) . .
N19 C77 C78 115.7(4) . .
C76 C77 C78 124.4(5) . .
N20 C78 C79 118.5(4) . .
N20 C78 C77 116.7(4) . .
C79 C78 C77 124.8(5) . .
C80 C79 C78 118.0(5) . .
C80 C79 H79 121.0 . .
C78 C79 H79 121.0 . .
C81 C80 C79 120.1(4) . .
C81 C80 H80 120.0 . .
C79 C80 H80 120.0 . .
C80 C81 C82 120.1(4) . .
C80 C81 H81 120.0 . .
C82 C81 H81 120.0 . .
N20 C82 C81 122.7(5) . .
N20 C82 H82 118.6 . .
C81 C82 H82 118.6 . .
N21 C83 C84 121.4(5) . .
N21 C83 H83 119.3 . .
C84 C83 H83 119.3 . .
C83 C84 C85 118.4(5) . .
C83 C84 H84 120.8 . .
C85 C84 H84 120.8 . .
C86 C85 C84 119.7(5) . .
C86 C85 H85 120.1 . .
C84 C85 H85 120.1 . .
C85 C86 C87 118.7(5) . .
C85 C86 H86 120.6 . .
C87 C86 H86 120.6 . .
N21 C87 C86 120.7(4) . .
N21 C87 C88 116.3(4) . .
C86 C87 C88 123.0(4) . .
N22 C88 C89 119.9(4) . .
N22 C88 C87 114.2(4) . .
C89 C88 C87 125.9(5) . .
C90 C89 C88 117.9(5) . .
C90 C89 H89 121.1 . .
C88 C89 H89 121.1 . .
C89 C90 C91 124.8(5) . .
C89 C90 H90 117.6 . .
C91 C90 H90 117.6 . .
C92 C91 C90 114.0(5) . .
C92 C91 H91 123.0 . .
C90 C91 H91 123.0 . .
N22 C92 C91 124.3(5) . .
N22 C92 H92 117.9 . .
C91 C92 H92 117.9 . .
C8 N1 N2 107.4(3) . .
C8 N1 Pd1 127.4(2) . .
N2 N1 Pd1 120.0(3) . .
N1 N2 C10 111.0(3) . .
C13 N3 N4 110.9(3) . .
C13 N3 Pd2 132.7(3) . .
N4 N3 Pd2 112.7(3) . .
C15 N4 N3 107.0(3) . .
C15 N4 Pd3 128.7(2) . .
N3 N4 Pd3 119.0(3) . .
N6 N5 C18 110.7(3) . .
N6 N5 Pd4 117.2(3) . .
C18 N5 Pd4 127.0(3) . .
C20 N6 N5 108.5(3) . .
C20 N6 Pd5 128.5(3) . .
N5 N6 Pd5 118.4(3) . .
C29 N7 N8 109.8(4) . .
N7 N8 C31 108.0(3) . .
N7 N8 Pd1 119.4(3) . 2_656
C31 N8 Pd1 127.3(3) . 2_656
C34 N9 N10 109.6(3) . .
C34 N9 Pd2 130.0(3) . .
N10 N9 Pd2 115.0(3) . .
C36 N10 N9 108.9(3) . .
C36 N10 Pd3 130.4(3) . .
N9 N10 Pd3 117.1(3) . .
N12 N11 C39 109.4(3) . .
N12 N11 Pd4 117.5(3) . .
C39 N11 Pd4 130.1(3) . .
C41 N12 N11 108.9(3) . .
C41 N12 Pd5 128.3(3) . .
N11 N12 Pd5 117.9(3) . .
C43 N13 C47 120.3(3) . .
C43 N13 Pd1 125.8(3) . .
C47 N13 Pd1 113.9(2) . .
C48 N14 C52 119.3(3) . .
C48 N14 Pd1 116.1(2) . .
C52 N14 Pd1 124.5(3) . .
C53 N15 C57 120.1(3) . .
C53 N15 Pd2 125.4(3) . .
C57 N15 Pd2 114.3(2) . .
C62 N16 C58 119.9(3) . .
C62 N16 Pd2 126.9(3) . .
C58 N16 Pd2 113.2(2) . .
C67 N17 C63 119.5(3) . .
C67 N17 Pd3 115.1(2) . .
C63 N17 Pd3 125.4(3) . .
C68 N18 C72 121.1(3) . .
C68 N18 Pd3 114.1(2) . .
C72 N18 Pd3 124.7(3) . .
C77 N19 C73 121.6(3) . .
C77 N19 Pd4 113.5(2) . .
C73 N19 Pd4 124.4(3) . .
C82 N20 C78 120.4(4) . .
C82 N20 Pd4 127.7(4) . .
C78 N20 Pd4 111.8(2) . .
C87 N21 C83 120.9(4) . .
C87 N21 Pd5 113.7(3) . .
C83 N21 Pd5 125.2(3) . .
C92 N22 C88 118.8(4) . .
C92 N22 Pd5 128.2(3) . .
C88 N22 Pd5 112.9(3) . .
O3 N23 O2 117.2(4) . .
O3 N23 O1 122.3(4) . .
O2 N23 O1 120.4(4) . .
O5 N24 O6 120.4(4) . .
O5 N24 O4 119.1(5) . .
O6 N24 O4 119.6(4) . .
O8 N25 O7 119.4(4) . .
O8 N25 O9 119.9(4) . .
O7 N25 O9 120.6(4) . .
O11 N26 O10 120.5(4) . .
O11 N26 O12 119.4(4) . .
O10 N26 O12 120.1(4) . .
H1X O1W H1Y 109.5 . .
H2X O2W H2Y 109.5 . .
H3X O3W H3Y 109.5 . .
H4X O4W H4Y 109.5 . .
H5X O5W H5Y 109.5 . .
H6X O6W H6Y 109.5 . .
H7X O7W H7Y 109.5 . .
H8X O8W H8Y 109.5 . .
H9X O9W H9Y 109.5 . .
H11X O11W H11Y 109.5 . .
H12X O12W H12Y 109.5 . .
H13X O13W H13Y 109.5 . .
H14X O14W H14Y 109.5 . .
H15X O15W H15Y 109.5 . .
H16X O16W H16Y 109.5 . .
H17X O17W H17Y 109.5 . .
H18X O18W H18Y 109.5 . .
H19X O19W H19Y 94.9 . .
H20X O20W H20Y 109.5 . .
H10X O10W H10Y 109.5 . .
N14 Pd1 N1 95.78(16) . .
N14 Pd1 N8 178.22(17) . 2_656
N1 Pd1 N8 85.73(16) . 2_656
N14 Pd1 N13 80.91(16) . .
N1 Pd1 N13 176.47(16) . .
N8 Pd1 N13 97.59(17) 2_656 .
N9 Pd2 N16 96.24(16) . .
N9 Pd2 N15 176.63(17) . .
N16 Pd2 N15 82.18(16) . .
N9 Pd2 N3 84.56(17) . .
N16 Pd2 N3 178.23(18) . .
N15 Pd2 N3 96.94(17) . .
N9 Pd2 Pd3 64.28(12) . .
N16 Pd2 Pd3 113.81(13) . .
N15 Pd2 Pd3 113.60(12) . .
N3 Pd2 Pd3 65.11(13) . .
N4 Pd3 N10 83.51(16) . .
N4 Pd3 N17 178.80(16) . .
N10 Pd3 N17 97.66(17) . .
N4 Pd3 N18 97.96(16) . .
N10 Pd3 N18 178.53(17) . .
N17 Pd3 N18 80.87(17) . .
N4 Pd3 Pd2 63.14(11) . .
N10 Pd3 Pd2 63.57(12) . .
N17 Pd3 Pd2 117.17(11) . .
N18 Pd3 Pd2 117.10(12) . .
N11 Pd4 N19 175.52(17) . .
N11 Pd4 N20 96.97(16) . .
N19 Pd4 N20 81.92(17) . .
N11 Pd4 N5 83.59(16) . .
N19 Pd4 N5 97.48(16) . .
N20 Pd4 N5 179.21(18) . .
N11 Pd4 Pd5 62.73(12) . .
N19 Pd4 Pd5 113.92(13) . .
N20 Pd4 Pd5 117.73(12) . .
N5 Pd4 Pd5 62.03(12) . .
N6 Pd5 N21 177.47(17) . .
N6 Pd5 N22 96.29(16) . .
N21 Pd5 N22 82.07(16) . .
N6 Pd5 N12 85.82(16) . .
N21 Pd5 N12 95.66(16) . .
N22 Pd5 N12 175.28(16) . .
N6 Pd5 Pd4 62.31(13) . .
N21 Pd5 Pd4 120.20(12) . .
N22 Pd5 Pd4 123.10(11) . .
N12 Pd5 Pd4 61.62(12) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.407(7) .
C1 C6 1.409(7) .
C1 C9 1.457(7) .
C2 C3 1.414(7) .
C2 H2 0.9500 .
C3 C4 1.411(7) .
C3 C14 1.465(7) .
C4 C5 1.384(7) .
C4 H4 0.9500 .
C5 C6 1.375(7) .
C5 C19 1.473(7) .
C6 H6 0.9500 .
C7 C8 1.496(7) .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 N1 1.362(5) .
C8 C9 1.424(7) .
C9 C10 1.436(7) .
C10 N2 1.383(5) .
C10 C11 1.455(7) .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 C13 1.493(7) .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 N3 1.329(5) .
C13 C14 1.409(7) .
C14 C15 1.391(7) .
C15 N4 1.359(5) .
C15 C16 1.466(7) .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 C18 1.492(7) .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 N5 1.355(5) .
C18 C19 1.401(7) .
C19 C20 1.446(7) .
C20 N6 1.328(5) .
C20 C21 1.481(7) .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 C23 1.365(7) .
C22 C27 1.399(7) .
C22 C30 1.494(7) .
C23 C24 1.377(7) .
C23 H23 0.9500 .
C24 C25 1.399(7) .
C24 C35 1.504(7) .
C25 C26 1.427(7) .
C25 H25 0.9500 .
C26 C27 1.395(7) .
C26 C40 1.468(7) .
C27 H27 0.9500 .
C28 C29 1.511(7) .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 N7 1.356(5) .
C29 C30 1.387(7) .
C30 C31 1.414(7) .
C31 N8 1.378(6) .
C31 C32 1.496(8) .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C33 C34 1.482(7) .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C33 H33C 0.9800 .
C34 N9 1.348(5) .
C34 C35 1.438(6) .
C35 C36 1.357(7) .
C36 N10 1.339(5) .
C36 C37 1.489(7) .
C37 H37A 0.9800 .
C37 H37B 0.9800 .
C37 H37C 0.9800 .
C38 C39 1.422(7) .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
C39 N11 1.369(5) .
C39 C40 1.442(7) .
C40 C41 1.361(7) .
C41 N12 1.316(5) .
C41 C42 1.551(7) .
C42 H42A 0.9800 .
C42 H42B 0.9800 .
C42 H42C 0.9800 .
C43 N13 1.327(5) .
C43 C44 1.395(7) .
C43 H43 0.9500 .
C44 C45 1.391(7) .
C44 H44 0.9500 .
C45 C46 1.374(7) .
C45 H45 0.9500 .
C46 C47 1.391(7) .
C46 H46 0.9500 .
C47 N13 1.347(5) .
C47 C48 1.500(7) .
C48 N14 1.352(5) .
C48 C49 1.369(7) .
C49 C50 1.389(7) .
C49 H49 0.9500 .
C50 C51 1.387(6) .
C50 H50 0.9500 .
C51 C52 1.398(6) .
C51 H51 0.9500 .
C52 N14 1.357(5) .
C52 H52 0.9500 .
C53 N15 1.314(5) .
C53 C54 1.404(7) .
C53 H53 0.9500 .
C54 C55 1.377(7) .
C54 H54 0.9500 .
C55 C56 1.366(6) .
C55 H55 0.9500 .
C56 C57 1.384(7) .
C56 H56 0.9500 .
C57 N15 1.358(5) .
C57 C58 1.506(7) .
C58 C59 1.369(7) .
C58 N16 1.373(5) .
C59 C60 1.431(7) .
C59 H59 0.9500 .
C60 C61 1.385(7) .
C60 H60 0.9500 .
C61 C62 1.393(7) .
C61 H61 0.9500 .
C62 N16 1.301(5) .
C62 H62 0.9500 .
C63 C64 1.331(7) .
C63 N17 1.370(5) .
C63 H63 0.9500 .
C64 C65 1.427(7) .
C64 H64 0.9500 .
C65 C66 1.414(7) .
C65 H65 0.9500 .
C66 C67 1.340(7) .
C66 H66 0.9500 .
C67 N17 1.365(5) .
C67 C68 1.477(7) .
C68 N18 1.353(5) .
C68 C69 1.407(7) .
C69 C70 1.367(7) .
C69 H69 0.9500 .
C70 C71 1.385(7) .
C70 H70 0.9500 .
C71 C72 1.379(7) .
C71 H71 0.9500 .
C72 N18 1.358(5) .
C72 H72 0.9500 .
C73 N19 1.365(5) .
C73 C74 1.375(6) .
C73 H73 0.9500 .
C74 C75 1.426(7) .
C74 H74 0.9500 .
C75 C76 1.413(7) .
C75 H75 0.9500 .
C76 C77 1.411(7) .
C76 H76 0.9500 .
C77 N19 1.355(5) .
C77 C78 1.451(7) .
C78 N20 1.385(5) .
C78 C79 1.415(7) .
C79 C80 1.407(7) .
C79 H79 0.9500 .
C80 C81 1.338(5) .
C80 H80 0.9500 .
C81 C82 1.358(7) .
C81 H81 0.9500 .
C82 N20 1.308(6) .
C82 H82 0.9500 .
C83 N21 1.357(6) .
C83 C84 1.397(6) .
C83 H83 0.9500 .
C84 C85 1.417(7) .
C84 H84 0.9500 .
C85 C86 1.387(7) .
C85 H85 0.9500 .
C86 C87 1.426(7) .
C86 H86 0.9500 .
C87 N21 1.346(6) .
C87 C88 1.482(6) .
C88 N22 1.392(6) .
C88 C89 1.404(7) .
C89 C90 1.301(7) .
C89 H89 0.9500 .
C90 C91 1.425(7) .
C90 H90 0.9500 .
C91 C92 1.375(7) .
C91 H91 0.9500 .
C92 N22 1.328(6) .
C92 H92 0.9500 .
N1 N2 1.378(6) .
N1 Pd1 2.008(4) .
N3 N4 1.365(5) .
N3 Pd2 2.035(4) .
N4 Pd3 2.010(4) .
N5 N6 1.351(6) .
N5 Pd4 2.032(4) .
N6 Pd5 2.007(4) .
N7 N8 1.361(6) .
N8 Pd1 2.025(4) 2_656
N9 N10 1.355(6) .
N9 Pd2 2.020(4) .
N10 Pd3 2.014(4) .
N11 N12 1.357(5) .
N11 Pd4 2.000(4) .
N12 Pd5 2.030(4) .
N13 Pd1 2.033(4) .
N14 Pd1 2.005(4) .
N15 Pd2 2.029(4) .
N16 Pd2 2.028(4) .
N17 Pd3 2.019(4) .
N18 Pd3 2.026(4) .
N19 Pd4 2.028(4) .
N20 Pd4 2.030(4) .
N21 Pd5 2.017(4) .
N22 Pd5 2.019(4) .
N23 O3 1.238(5) .
N23 O2 1.246(5) .
N23 O1 1.261(5) .
N24 O5 1.239(5) .
N24 O6 1.240(5) .
N24 O4 1.251(5) .
N25 O8 1.247(5) .
N25 O7 1.250(5) .
N25 O9 1.257(5) .
N26 O11 1.237(5) .
N26 O10 1.241(5) .
N26 O12 1.250(5) .
O1W H1X 0.8501 .
O1W H1Y 0.8500 .
O2W H2X 0.8500 .
O2W H2Y 0.8501 .
O3W H3X 0.8499 .
O3W H3Y 0.8500 .
O4W H4X 0.8500 .
O4W H4Y 0.8500 .
O5W H5X 0.8500 .
O5W H5Y 0.8500 .
O6W H6X 0.8500 .
O6W H6Y 0.8500 .
O7W H7X 0.8500 .
O7W H7Y 0.8501 .
O8W H8X 0.8500 .
O8W H8Y 0.8500 .
O9W H9X 0.8500 .
O9W H9Y 0.8501 .
O11W H11X 0.8500 .
O11W H11Y 0.8500 .
O12W H12X 0.8499 .
O12W H12Y 0.8500 .
O13W H13X 0.8500 .
O13W H13Y 0.8500 .
O14W H14X 0.8500 .
O14W H14Y 0.8501 .
O15W H15X 0.8499 .
O15W H15Y 0.8500 .
O16W H16X 0.8501 .
O16W H16Y 0.8500 .
O17W H17X 0.8500 .
O17W H17Y 0.8501 .
O18W H18X 0.8500 .
O18W H18Y 0.8501 .
O19W H19X 0.8501 .
O19W H19Y 0.8500 .
O20W H20X 0.8499 .
O20W H20Y 0.8500 .
O10W H10X 0.8500 .
O10W H10Y 0.8501 .
Pd1 N8 2.025(4) 2_656
Pd2 Pd3 3.1276(12) .
Pd4 Pd5 3.2361(12) .
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
C6 C1 C2 C3 -2.6(8) .
C9 C1 C2 C3 172.1(5) .
C1 C2 C3 C4 3.4(8) .
C1 C2 C3 C14 -176.1(5) .
C2 C3 C4 C5 -1.9(7) .
C14 C3 C4 C5 177.6(5) .
C3 C4 C5 C6 -0.4(7) .
C3 C4 C5 C19 178.6(5) .
C4 C5 C6 C1 1.3(8) .
C19 C5 C6 C1 -177.7(5) .
C2 C1 C6 C5 0.1(8) .
C9 C1 C6 C5 -174.2(5) .
N1 C8 C9 C10 1.4(5) .
C7 C8 C9 C10 172.5(5) .
N1 C8 C9 C1 179.0(4) .
C7 C8 C9 C1 -10.0(9) .
C2 C1 C9 C8 -44.9(7) .
C6 C1 C9 C8 129.4(6) .
C2 C1 C9 C10 132.1(6) .
C6 C1 C9 C10 -53.6(8) .
C8 C9 C10 N2 0.4(5) .
C1 C9 C10 N2 -177.1(4) .
C8 C9 C10 C11 178.6(5) .
C1 C9 C10 C11 1.2(9) .
N3 C13 C14 C15 -2.8(6) .
C12 C13 C14 C15 177.7(5) .
N3 C13 C14 C3 178.4(5) .
C12 C13 C14 C3 -1.2(9) .
C4 C3 C14 C15 -55.5(8) .
C2 C3 C14 C15 124.0(6) .
C4 C3 C14 C13 123.1(6) .
C2 C3 C14 C13 -57.4(8) .
C13 C14 C15 N4 3.9(6) .
C3 C14 C15 N4 -177.2(5) .
C13 C14 C15 C16 179.0(5) .
C3 C14 C15 C16 -2.1(10) .
N5 C18 C19 C20 -0.9(5) .
C17 C18 C19 C20 -176.0(5) .
N5 C18 C19 C5 -178.1(5) .
C17 C18 C19 C5 6.9(9) .
C6 C5 C19 C18 -122.8(6) .
C4 C5 C19 C18 58.2(7) .
C6 C5 C19 C20 60.7(7) .
C4 C5 C19 C20 -118.3(6) .
C18 C19 C20 N6 -1.2(5) .
C5 C19 C20 N6 175.9(5) .
C18 C19 C20 C21 -175.4(5) .
C5 C19 C20 C21 1.7(8) .
C27 C22 C23 C24 1.5(8) .
C30 C22 C23 C24 177.9(5) .
C22 C23 C24 C25 1.0(8) .
C22 C23 C24 C35 -179.0(5) .
C23 C24 C25 C26 -1.6(8) .
C35 C24 C25 C26 178.3(5) .
C24 C25 C26 C27 -0.1(8) .
C24 C25 C26 C40 -175.1(5) .
C25 C26 C27 C22 2.5(8) .
C40 C26 C27 C22 177.4(5) .
C23 C22 C27 C26 -3.3(8) .
C30 C22 C27 C26 -179.7(5) .
N7 C29 C30 C31 -0.4(6) .
C28 C29 C30 C31 179.2(5) .
N7 C29 C30 C22 177.1(4) .
C28 C29 C30 C22 -3.3(9) .
C23 C22 C30 C29 -129.0(6) .
C27 C22 C30 C29 47.4(8) .
C23 C22 C30 C31 48.0(8) .
C27 C22 C30 C31 -135.5(6) .
C29 C30 C31 N8 0.8(6) .
C22 C30 C31 N8 -176.8(4) .
C29 C30 C31 C32 -176.2(5) .
C22 C30 C31 C32 6.3(9) .
N9 C34 C35 C36 2.5(6) .
C33 C34 C35 C36 -178.5(6) .
N9 C34 C35 C24 178.1(4) .
C33 C34 C35 C24 -2.9(9) .
C23 C24 C35 C36 -134.3(6) .
C25 C24 C35 C36 45.7(8) .
C23 C24 C35 C34 51.2(8) .
C25 C24 C35 C34 -128.7(5) .
C34 C35 C36 N10 -1.6(6) .
C24 C35 C36 N10 -176.8(5) .
C34 C35 C36 C37 178.5(6) .
C24 C35 C36 C37 3.3(10) .
N11 C39 C40 C41 0.4(5) .
C38 C39 C40 C41 -178.4(6) .
N11 C39 C40 C26 -179.7(4) .
C38 C39 C40 C26 1.5(9) .
C27 C26 C40 C41 -44.6(8) .
C25 C26 C40 C41 130.3(6) .
C27 C26 C40 C39 135.6(6) .
C25 C26 C40 C39 -49.6(7) .
C39 C40 C41 N12 -0.1(5) .
C26 C40 C41 N12 180.0(4) .
C39 C40 C41 C42 178.6(5) .
C26 C40 C41 C42 -1.3(9) .
N13 C43 C44 C45 1.1(8) .
C43 C44 C45 C46 2.5(8) .
C44 C45 C46 C47 -3.7(8) .
C45 C46 C47 N13 1.4(8) .
C45 C46 C47 C48 -178.4(5) .
N13 C47 C48 N14 -0.1(6) .
C46 C47 C48 N14 179.7(5) .
N13 C47 C48 C49 -173.5(5) .
C46 C47 C48 C49 6.3(9) .
N14 C48 C49 C50 5.0(8) .
C47 C48 C49 C50 177.9(5) .
C48 C49 C50 C51 -4.3(8) .
C49 C50 C51 C52 2.5(8) .
C50 C51 C52 N14 -1.2(8) .
N15 C53 C54 C55 -0.9(8) .
C53 C54 C55 C56 -1.7(8) .
C54 C55 C56 C57 2.1(8) .
C55 C56 C57 N15 0.0(8) .
C55 C56 C57 C58 -177.5(5) .
N15 C57 C58 C59 -178.5(4) .
C56 C57 C58 C59 -0.8(8) .
N15 C57 C58 N16 -1.3(6) .
C56 C57 C58 N16 176.4(4) .
N16 C58 C59 C60 4.8(8) .
C57 C58 C59 C60 -178.1(5) .
C58 C59 C60 C61 -2.8(8) .
C59 C60 C61 C62 -2.4(8) .
C60 C61 C62 N16 6.1(8) .
N17 C63 C64 C65 -3.0(7) .
C63 C64 C65 C66 0.2(7) .
C64 C65 C66 C67 0.6(7) .
C65 C66 C67 N17 1.5(7) .
C65 C66 C67 C68 -178.5(5) .
C66 C67 C68 N18 -179.8(4) .
N17 C67 C68 N18 0.3(6) .
C66 C67 C68 C69 4.6(8) .
N17 C67 C68 C69 -175.3(4) .
N18 C68 C69 C70 4.0(7) .
C67 C68 C69 C70 179.5(5) .
C68 C69 C70 C71 -6.1(7) .
C69 C70 C71 C72 7.3(7) .
C70 C71 C72 N18 -6.6(7) .
N19 C73 C74 C75 3.4(7) .
C73 C74 C75 C76 -4.5(7) .
C74 C75 C76 C77 1.6(7) .
C75 C76 C77 N19 2.4(7) .
C75 C76 C77 C78 -179.9(5) .
N19 C77 C78 N20 -2.5(7) .
C76 C77 C78 N20 179.7(4) .
N19 C77 C78 C79 175.8(5) .
C76 C77 C78 C79 -2.1(9) .
N20 C78 C79 C80 -1.4(7) .
C77 C78 C79 C80 -179.6(5) .
C78 C79 C80 C81 -1.1(7) .
C79 C80 C81 C82 3.3(6) .
C80 C81 C82 N20 -2.9(9) .
N21 C83 C84 C85 3.9(7) .
C83 C84 C85 C86 -3.8(7) .
C84 C85 C86 C87 1.7(7) .
C85 C86 C87 N21 0.4(7) .
C85 C86 C87 C88 -179.5(5) .
N21 C87 C88 N22 -1.1(6) .
C86 C87 C88 N22 178.8(4) .
N21 C87 C88 C89 179.0(5) .
C86 C87 C88 C89 -1.1(8) .
N22 C88 C89 C90 -5.8(7) .
C87 C88 C89 C90 174.1(5) .
C88 C89 C90 C91 5.8(8) .
C89 C90 C91 C92 -4.0(7) .
C90 C91 C92 N22 2.2(7) .
C9 C8 N1 N2 -2.7(4) .
C7 C8 N1 N2 -174.5(4) .
C9 C8 N1 Pd1 -156.6(3) .
C7 C8 N1 Pd1 31.5(6) .
C8 N1 N2 C10 3.0(4) .
Pd1 N1 N2 C10 159.2(2) .
C9 C10 N2 N1 -2.0(4) .
C11 C10 N2 N1 179.5(4) .
C14 C13 N3 N4 0.6(4) .
C12 C13 N3 N4 -179.8(3) .
C14 C13 N3 Pd2 156.6(3) .
C12 C13 N3 Pd2 -23.8(5) .
C14 C15 N4 N3 -3.6(5) .
C16 C15 N4 N3 -179.2(4) .
C14 C15 N4 Pd3 -157.2(3) .
C16 C15 N4 Pd3 27.1(6) .
C13 N3 N4 C15 1.8(4) .
Pd2 N3 N4 C15 -159.2(2) .
C13 N3 N4 Pd3 158.5(2) .
Pd2 N3 N4 Pd3 -2.6(4) .
C19 C18 N5 N6 2.8(4) .
C17 C18 N5 N6 178.3(4) .
C19 C18 N5 Pd4 156.6(3) .
C17 C18 N5 Pd4 -27.9(6) .
C19 C20 N6 N5 2.9(4) .
C21 C20 N6 N5 177.2(4) .
C19 C20 N6 Pd5 -152.2(3) .
C21 C20 N6 Pd5 22.1(6) .
C18 N5 N6 C20 -3.6(4) .
Pd4 N5 N6 C20 -160.3(2) .
C18 N5 N6 Pd5 154.4(2) .
Pd4 N5 N6 Pd5 -2.3(5) .
C30 C29 N7 N8 -0.1(4) .
C28 C29 N7 N8 -179.8(3) .
C29 N7 N8 C31 0.6(4) .
C29 N7 N8 Pd1 -155.7(2) 2_656
C30 C31 N8 N7 -0.8(4) .
C32 C31 N8 N7 176.4(4) .
C30 C31 N8 Pd1 153.1(3) 2_656
C32 C31 N8 Pd1 -29.6(6) 2_656
C35 C34 N9 N10 -2.5(4) .
C33 C34 N9 N10 178.4(4) .
C35 C34 N9 Pd2 -154.8(3) .
C33 C34 N9 Pd2 26.2(6) .
C35 C36 N10 N9 0.1(5) .
C37 C36 N10 N9 180.0(4) .
C35 C36 N10 Pd3 157.3(3) .
C37 C36 N10 Pd3 -22.8(6) .
C34 N9 N10 C36 1.6(4) .
Pd2 N9 N10 C36 158.4(2) .
C34 N9 N10 Pd3 -159.0(2) .
Pd2 N9 N10 Pd3 -2.2(4) .
C38 C39 N11 N12 178.4(4) .
C40 C39 N11 N12 -0.6(4) .
C38 C39 N11 Pd4 18.7(7) .
C40 C39 N11 Pd4 -160.2(2) .
C40 C41 N12 N11 -0.2(4) .
C42 C41 N12 N11 -179.0(4) .
C40 C41 N12 Pd5 153.9(3) .
C42 C41 N12 Pd5 -24.9(6) .
C39 N11 N12 C41 0.5(4) .
Pd4 N11 N12 C41 163.0(2) .
C39 N11 N12 Pd5 -156.7(2) .
Pd4 N11 N12 Pd5 5.9(4) .
C44 C43 N13 C47 -3.5(6) .
C44 C43 N13 Pd1 177.6(3) .
C46 C47 N13 C43 2.2(7) .
C48 C47 N13 C43 -177.9(4) .
C46 C47 N13 Pd1 -178.7(4) .
C48 C47 N13 Pd1 1.1(5) .
C49 C48 N14 C52 -3.5(6) .
C47 C48 N14 C52 -177.2(4) .
C49 C48 N14 Pd1 172.7(4) .
C47 C48 N14 Pd1 -1.0(5) .
C51 C52 N14 C48 1.7(6) .
C51 C52 N14 Pd1 -174.3(3) .
C54 C53 N15 C57 3.0(7) .
C54 C53 N15 Pd2 177.0(4) .
C56 C57 N15 C53 -2.6(7) .
C58 C57 N15 C53 175.1(4) .
C56 C57 N15 Pd2 -177.3(4) .
C58 C57 N15 Pd2 0.4(5) .
C61 C62 N16 C58 -4.3(7) .
C61 C62 N16 Pd2 175.5(4) .
C59 C58 N16 C62 -1.4(6) .
C57 C58 N16 C62 -178.7(4) .
C59 C58 N16 Pd2 178.8(4) .
C57 C58 N16 Pd2 1.5(5) .
C66 C67 N17 C63 -4.2(6) .
C68 C67 N17 C63 175.7(4) .
C66 C67 N17 Pd3 178.9(4) .
C68 C67 N17 Pd3 -1.1(4) .
C64 C63 N17 C67 5.0(6) .
C64 C63 N17 Pd3 -178.5(3) .
C69 C68 N18 C72 -3.1(6) .
C67 C68 N18 C72 -179.0(4) .
C69 C68 N18 Pd3 176.7(3) .
C67 C68 N18 Pd3 0.7(5) .
C71 C72 N18 C68 4.5(6) .
C71 C72 N18 Pd3 -175.2(3) .
C76 C77 N19 C73 -3.6(6) .
C78 C77 N19 C73 178.4(4) .
C76 C77 N19 Pd4 -175.6(4) .
C78 C77 N19 Pd4 6.4(5) .
C74 C73 N19 C77 0.7(6) .
C74 C73 N19 Pd4 171.8(3) .
C81 C82 N20 C78 0.2(8) .
C81 C82 N20 Pd4 -176.3(4) .
C79 C78 N20 C82 1.9(6) .
C77 C78 N20 C82 -179.7(4) .
C79 C78 N20 Pd4 178.9(4) .
C77 C78 N20 Pd4 -2.7(5) .
C86 C87 N21 C83 -0.4(7) .
C88 C87 N21 C83 179.5(4) .
C86 C87 N21 Pd5 174.5(4) .
C88 C87 N21 Pd5 -5.6(5) .
C84 C83 N21 C87 -1.8(7) .
C84 C83 N21 Pd5 -176.1(3) .
C91 C92 N22 C88 -2.6(7) .
C91 C92 N22 Pd5 174.1(4) .
C89 C88 N22 C92 4.3(7) .
C87 C88 N22 C92 -175.7(4) .
C89 C88 N22 Pd5 -172.9(4) .
C87 C88 N22 Pd5 7.1(5) .
C48 N14 Pd1 N1 180.0(3) .
C52 N14 Pd1 N1 -4.0(3) .
C48 N14 Pd1 N13 1.2(3) .
C52 N14 Pd1 N13 177.3(3) .
C8 N1 Pd1 N14 -121.3(3) .
N2 N1 Pd1 N14 87.6(3) .
C8 N1 Pd1 N8 59.6(3) 2_656
N2 N1 Pd1 N8 -91.4(3) 2_656
C43 N13 Pd1 N14 177.7(3) .
C47 N13 Pd1 N14 -1.2(3) .
C43 N13 Pd1 N8 -3.3(4) 2_656
C47 N13 Pd1 N8 177.8(3) 2_656
C34 N9 Pd2 N16 -94.1(4) .
N10 N9 Pd2 N16 114.8(3) .
C34 N9 Pd2 N3 87.5(4) .
N10 N9 Pd2 N3 -63.6(3) .
C34 N9 Pd2 Pd3 152.5(4) .
N10 N9 Pd2 Pd3 1.4(3) .
C62 N16 Pd2 N9 2.2(4) .
C58 N16 Pd2 N9 -178.0(3) .
C62 N16 Pd2 N15 179.2(4) .
C58 N16 Pd2 N15 -1.0(3) .
C62 N16 Pd2 Pd3 66.8(4) .
C58 N16 Pd2 Pd3 -113.4(2) .
C53 N15 Pd2 N16 -174.0(3) .
C57 N15 Pd2 N16 0.3(3) .
C53 N15 Pd2 N3 4.4(3) .
C57 N15 Pd2 N3 178.7(3) .
C53 N15 Pd2 Pd3 -61.4(3) .
C57 N15 Pd2 Pd3 112.9(3) .
C13 N3 Pd2 N9 -89.9(4) .
N4 N3 Pd2 N9 65.7(3) .
C13 N3 Pd2 N15 93.1(4) .
N4 N3 Pd2 N15 -111.3(3) .
C13 N3 Pd2 Pd3 -154.1(4) .
N4 N3 Pd2 Pd3 1.6(3) .
C15 N4 Pd3 N10 89.1(3) .
N3 N4 Pd3 N10 -61.9(3) .
C15 N4 Pd3 N18 -90.9(3) .
N3 N4 Pd3 N18 118.1(3) .
C15 N4 Pd3 Pd2 152.7(3) .
N3 N4 Pd3 Pd2 1.7(3) .
C36 N10 Pd3 N4 -91.1(4) .
N9 N10 Pd3 N4 64.6(3) .
C36 N10 Pd3 N17 89.1(3) .
N9 N10 Pd3 N17 -115.2(3) .
C36 N10 Pd3 Pd2 -154.3(4) .
N9 N10 Pd3 Pd2 1.4(3) .
C67 N17 Pd3 N10 -178.8(2) .
C63 N17 Pd3 N10 4.6(3) .
C67 N17 Pd3 N18 1.2(2) .
C63 N17 Pd3 N18 -175.4(3) .
C67 N17 Pd3 Pd2 117.0(2) .
C63 N17 Pd3 Pd2 -59.6(3) .
C68 N18 Pd3 N4 179.2(2) .
C72 N18 Pd3 N4 -1.0(3) .
C68 N18 Pd3 N17 -1.0(2) .
C72 N18 Pd3 N17 178.7(3) .
C68 N18 Pd3 Pd2 -116.9(2) .
C72 N18 Pd3 Pd2 62.8(3) .
N9 Pd2 Pd3 N4 -97.28(18) .
N16 Pd2 Pd3 N4 177.34(16) .
N15 Pd2 Pd3 N4 85.60(18) .
N3 Pd2 Pd3 N4 -1.11(18) .
N9 Pd2 Pd3 N10 -0.95(19) .
N16 Pd2 Pd3 N10 -86.32(18) .
N15 Pd2 Pd3 N10 -178.07(19) .
N3 Pd2 Pd3 N10 95.22(19) .
N9 Pd2 Pd3 N17 84.0(2) .
N16 Pd2 Pd3 N17 -1.36(18) .
N15 Pd2 Pd3 N17 -93.10(19) .
N3 Pd2 Pd3 N17 -179.81(19) .
N9 Pd2 Pd3 N18 177.59(19) .
N16 Pd2 Pd3 N18 92.21(18) .
N15 Pd2 Pd3 N18 0.47(19) .
N3 Pd2 Pd3 N18 -86.24(19) .
N12 N11 Pd4 N20 114.0(3) .
C39 N11 Pd4 N20 -87.7(3) .
N12 N11 Pd4 N5 -65.4(3) .
C39 N11 Pd4 N5 92.8(3) .
N12 N11 Pd4 Pd5 -3.6(3) .
C39 N11 Pd4 Pd5 154.6(4) .
C77 N19 Pd4 N20 -6.2(3) .
C73 N19 Pd4 N20 -177.9(4) .
C77 N19 Pd4 N5 173.3(3) .
C73 N19 Pd4 N5 1.6(3) .
C77 N19 Pd4 Pd5 110.6(3) .
C73 N19 Pd4 Pd5 -61.1(3) .
C82 N20 Pd4 N11 5.9(5) .
C78 N20 Pd4 N11 -170.9(3) .
C82 N20 Pd4 N19 -178.5(5) .
C78 N20 Pd4 N19 4.7(3) .
C82 N20 Pd4 Pd5 68.6(5) .
C78 N20 Pd4 Pd5 -108.1(2) .
N6 N5 Pd4 N11 63.9(3) .
C18 N5 Pd4 N11 -88.5(3) .
N6 N5 Pd4 N19 -111.8(3) .
C18 N5 Pd4 N19 95.9(3) .
N6 N5 Pd4 Pd5 1.4(3) .
C18 N5 Pd4 Pd5 -150.9(3) .
C20 N6 Pd5 N22 -81.3(3) .
N5 N6 Pd5 N22 125.7(3) .
C20 N6 Pd5 N12 94.5(3) .
N5 N6 Pd5 N12 -58.6(3) .
C20 N6 Pd5 Pd4 154.5(4) .
N5 N6 Pd5 Pd4 1.4(3) .
C87 N21 Pd5 N22 7.4(3) .
C83 N21 Pd5 N22 -178.0(4) .
C87 N21 Pd5 N12 -168.4(3) .
C83 N21 Pd5 N12 6.2(4) .
C87 N21 Pd5 Pd4 131.3(3) .
C83 N21 Pd5 Pd4 -54.1(4) .
C92 N22 Pd5 N6 -6.7(4) .
C88 N22 Pd5 N6 170.1(3) .
C92 N22 Pd5 N21 175.2(4) .
C88 N22 Pd5 N21 -7.9(3) .
C92 N22 Pd5 Pd4 54.2(4) .
C88 N22 Pd5 Pd4 -128.9(3) .
C41 N12 Pd5 N6 -95.1(3) .
N11 N12 Pd5 N6 57.0(3) .
C41 N12 Pd5 N21 82.8(3) .
N11 N12 Pd5 N21 -125.0(3) .
C41 N12 Pd5 Pd4 -155.8(3) .
N11 N12 Pd5 Pd4 -3.6(3) .
N11 Pd4 Pd5 N6 -98.50(19) .
N19 Pd4 Pd5 N6 84.80(19) .
N20 Pd4 Pd5 N6 178.21(19) .
N5 Pd4 Pd5 N6 -0.94(19) .
N11 Pd4 Pd5 N21 81.81(19) .
N19 Pd4 Pd5 N21 -94.89(19) .
N20 Pd4 Pd5 N21 -1.5(2) .
N5 Pd4 Pd5 N21 179.37(19) .
N11 Pd4 Pd5 N22 -177.30(18) .
N19 Pd4 Pd5 N22 6.00(18) .
N20 Pd4 Pd5 N22 99.41(19) .
N5 Pd4 Pd5 N22 -79.74(18) .
N11 Pd4 Pd5 N12 2.46(18) .
N19 Pd4 Pd5 N12 -174.25(17) .
N20 Pd4 Pd5 N12 -80.84(18) .
N5 Pd4 Pd5 N12 100.01(18) .
